simple_moves¶
Bindings for protocols::simple_moves namespace
-
class
pyrosetta.rosetta.protocols.simple_moves.
AcceptedScores
¶ Bases:
pyrosetta.rosetta.utility.vector1_double
Represents a set of filter scores that have been accepted
-
__bool__
(self: pyrosetta.rosetta.utility.vector1_double) → bool¶ Check whether the list is nonempty
-
__contains__
(self: pyrosetta.rosetta.utility.vector1_double, arg0: float) → bool¶ return true if item in the container
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
(self: pyrosetta.rosetta.utility.vector1_double, arg0: pyrosetta.rosetta.utility.vector1_double) → bool¶
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__getitem__
(self: pyrosetta.rosetta.utility.vector1_double, arg0: int) → float¶
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.AcceptedScores, iteration: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.AcceptedScores, iteration: int, rank_score: float) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.AcceptedScores, iteration: int, rank_score: float, scores: pyrosetta.rosetta.utility.vector1_double) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__iter__
(self: pyrosetta.rosetta.utility.vector1_double) → iterator¶
-
__le__
¶ Return self<=value.
-
__len__
(self: pyrosetta.rosetta.utility.vector1_double) → int¶
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__lt__
¶ Return self<value.
-
__ne__
(self: pyrosetta.rosetta.utility.vector1_double, arg0: pyrosetta.rosetta.utility.vector1_double) → bool¶
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
(self: pyrosetta.rosetta.utility.vector1_double) → str¶
-
__setattr__
¶ Implement setattr(self, name, value).
-
__setitem__
(self: pyrosetta.rosetta.utility.vector1_double, arg0: int, arg1: float) → None¶
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.AcceptedScores) → str¶
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__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
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append
(self: pyrosetta.rosetta.utility.vector1_double, arg0: float) → None¶ adds an element to the end
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assign
(self: pyrosetta.rosetta.protocols.simple_moves.AcceptedScores, : pyrosetta.rosetta.protocols.simple_moves.AcceptedScores) → pyrosetta.rosetta.protocols.simple_moves.AcceptedScores¶ C++: protocols::simple_moves::AcceptedScores::operator=(const class protocols::simple_moves::AcceptedScores &) –> class protocols::simple_moves::AcceptedScores &
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back
(self: pyrosetta.rosetta.utility.vector1_double) → float¶ access the last element
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capacity
(self: pyrosetta.rosetta.utility.vector1_double) → int¶ returns the number of elements that can be held in currently allocated storage
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clear
(self: pyrosetta.rosetta.utility.vector1_double) → None¶ clears the contents
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count
(self: pyrosetta.rosetta.utility.vector1_double, arg0: float) → int¶ counts the elements that are equal to value
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erase
(self: pyrosetta.rosetta.utility.vector1_double, arg0: int) → None¶ erases element at index
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front
(self: pyrosetta.rosetta.utility.vector1_double) → float¶ access the first element
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iteration
(self: pyrosetta.rosetta.protocols.simple_moves.AcceptedScores) → int¶ C++: protocols::simple_moves::AcceptedScores::iteration() const –> unsigned long
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l
(self: pyrosetta.rosetta.utility.vector1_double) → int¶ lower index
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max_size
(self: pyrosetta.rosetta.utility.vector1_double) → int¶ returns the maximum possible number of elements
-
pop
(*args, **kwargs)¶ Overloaded function.
- pop(self: pyrosetta.rosetta.utility.vector1_double) -> float
remove and return last item
- pop(self: pyrosetta.rosetta.utility.vector1_double, arg0: int) -> float
remove and return item at index
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rank_score
(self: pyrosetta.rosetta.protocols.simple_moves.AcceptedScores) → float¶ C++: protocols::simple_moves::AcceptedScores::rank_score() const –> double
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remove
(self: pyrosetta.rosetta.utility.vector1_double, arg0: float) → None¶ Remove the first item from the list whose value is x. It is an error if there is no such item.
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reserve
(self: pyrosetta.rosetta.utility.vector1_double, arg0: int) → None¶ reserves storage
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resize
(self: pyrosetta.rosetta.utility.vector1_double, arg0: int) → None¶ changes the number of elements stored
-
set_rank_score
(self: pyrosetta.rosetta.protocols.simple_moves.AcceptedScores, rank_score: float) → None¶ C++: protocols::simple_moves::AcceptedScores::set_rank_score(const double) –> void
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shrink_to_fit
(self: pyrosetta.rosetta.utility.vector1_double) → None¶ reduces memory usage by freeing unused memory
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u
(self: pyrosetta.rosetta.utility.vector1_double) → int¶ upper index
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
AddJobPairData
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Add an arbitrary piece of data to the current Job, which will be output in the silent file, database, etc. This is useful for adding metadata to keep track of data generated using multiple experimental conditions. Currently ONLY RosettaScript interface supported.
The data appended to the Job consists of a key and a value. The key is a string, and the value can be either a real or string.
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__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.AddJobPairData) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.AddJobPairData, arg0: pyrosetta.rosetta.protocols.simple_moves.AddJobPairData) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
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apply
(self: pyrosetta.rosetta.protocols.simple_moves.AddJobPairData, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::AddJobPairData::apply(class core::pose::Pose &) –> void
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assign
(self: pyrosetta.rosetta.protocols.simple_moves.AddJobPairData, : pyrosetta.rosetta.protocols.simple_moves.AddJobPairData) → pyrosetta.rosetta.protocols.simple_moves.AddJobPairData¶ C++: protocols::simple_moves::AddJobPairData::operator=(const class protocols::simple_moves::AddJobPairData &) –> class protocols::simple_moves::AddJobPairData &
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clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
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clone
(self: pyrosetta.rosetta.protocols.simple_moves.AddJobPairData) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::AddJobPairData::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
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create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
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fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.AddJobPairData) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::AddJobPairData::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
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get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
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get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
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get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
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get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
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get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
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get_name
(self: pyrosetta.rosetta.protocols.simple_moves.AddJobPairData) → str¶ C++: protocols::simple_moves::AddJobPairData::get_name() const –> std::string
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get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
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get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
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get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
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get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
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info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
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last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
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mover_name
() → str¶ C++: protocols::simple_moves::AddJobPairData::mover_name() –> std::string
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name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
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provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::AddJobPairData::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
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register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
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reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
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reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
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reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
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set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
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set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
AlignChainMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Align a chain in the working pose to a chain. CA superposition
source_chain: the chain number in the working pose. 0 means the entire pose. target_chain: the chain number in the target pose. 0 means the entire pose. **target and source chains must have the same length of residues.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover, arg0: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::AlignChainMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover, : pyrosetta.rosetta.protocols.simple_moves.AlignChainMover) → pyrosetta.rosetta.protocols.simple_moves.AlignChainMover¶ C++: protocols::simple_moves::AlignChainMover::operator=(const class protocols::simple_moves::AlignChainMover &) –> class protocols::simple_moves::AlignChainMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::AlignChainMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::AlignChainMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover) → str¶ C++: protocols::simple_moves::AlignChainMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::AlignChainMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
pose
(*args, **kwargs)¶ Overloaded function.
- pose(self: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover) -> pyrosetta.rosetta.core.pose.Pose
C++: protocols::simple_moves::AlignChainMover::pose() const –> class std::shared_ptr<class core::pose::Pose>
- pose(self: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover, pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::simple_moves::AlignChainMover::pose(class std::shared_ptr<class core::pose::Pose>) –> void
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::AlignChainMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
source_chain
(*args, **kwargs)¶ Overloaded function.
- source_chain(self: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover) -> int
C++: protocols::simple_moves::AlignChainMover::source_chain() const –> unsigned long
- source_chain(self: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover, s: int) -> None
C++: protocols::simple_moves::AlignChainMover::source_chain(const unsigned long) –> void
-
target_chain
(*args, **kwargs)¶ Overloaded function.
- target_chain(self: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover) -> int
C++: protocols::simple_moves::AlignChainMover::target_chain() const –> unsigned long
- target_chain(self: pyrosetta.rosetta.protocols.simple_moves.AlignChainMover, s: int) -> None
C++: protocols::simple_moves::AlignChainMover::target_chain(const unsigned long) –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
BBDihedralSamplerMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Mover interface to BBDihedralSampler ( 1D ). Samples using BBDihedralSamplers randomly using residues set in the movemap. If multiple samplers are given, will randomly sample on them.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover, sampler: pyrosetta.rosetta.protocols.simple_moves.bb_sampler.BBDihedralSampler) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover, sampler: pyrosetta.rosetta.protocols.simple_moves.bb_sampler.BBDihedralSampler, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover, arg0: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
add_sampler
(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover, sampler: pyrosetta.rosetta.protocols.simple_moves.bb_sampler.BBDihedralSampler) → None¶ Add a sampler to this mover.
C++: protocols::simple_moves::BBDihedralSamplerMover::add_sampler(class std::shared_ptr<class protocols::simple_moves::bb_sampler::BBDihedralSampler>) –> void
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::BBDihedralSamplerMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover, : pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover) → pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover¶ C++: protocols::simple_moves::BBDihedralSamplerMover::operator=(const class protocols::simple_moves::BBDihedralSamplerMover &) –> class protocols::simple_moves::BBDihedralSamplerMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::BBDihedralSamplerMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::BBDihedralSamplerMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover) → str¶ C++: protocols::simple_moves::BBDihedralSamplerMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_dihedral_mask
(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover, mask: pyrosetta.rosetta.std.map_unsigned_long_utility_vector1_unsigned_long_std_allocator_unsigned_long_t) → None¶ - Limit the torsions that are sampled using a mask.
- Mask is a vector of torsions we are allowed to sample at each residue.
- NOT every residue must be present - only the ones we need to mask. This helps for carbohydrates, since not every residue has all possible dihedrals, even if we have samplers to use.
C++: protocols::simple_moves::BBDihedralSamplerMover::set_dihedral_mask(class std::map<unsigned long, class utility::vector1<unsigned long, class std::allocator<unsigned long> >, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class utility::vector1<unsigned long, class std::allocator<unsigned long> > > > >) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_residue_selector
(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ Sets residues from a residue selector.
C++: protocols::simple_moves::BBDihedralSamplerMover::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_sampler
(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover, sampler: pyrosetta.rosetta.protocols.simple_moves.bb_sampler.BBDihedralSampler) → None¶ Set a single sampler this mover will use.
C++: protocols::simple_moves::BBDihedralSamplerMover::set_sampler(class std::shared_ptr<class protocols::simple_moves::bb_sampler::BBDihedralSampler>) –> void
-
set_single_resnum
(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover, resnum: int) → None¶ Set a single resnum instead of a movemap.
C++: protocols::simple_moves::BBDihedralSamplerMover::set_single_resnum(unsigned long) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.BBDihedralSamplerMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::BBDihedralSamplerMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
BBG8T3AMover
¶ Bases:
pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover
a particular gaussian mover from the original paper
using 8 torsion angles as DOF, 3 atoms (Ca,C,O) as end
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.BBG8T3AMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.BBG8T3AMover, arg0: pyrosetta.rosetta.protocols.simple_moves.BBG8T3AMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::BBGaussianMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.BBG8T3AMover, : pyrosetta.rosetta.protocols.simple_moves.BBG8T3AMover) → pyrosetta.rosetta.protocols.simple_moves.BBG8T3AMover¶ C++: protocols::simple_moves::BBG8T3AMover::operator=(const class protocols::simple_moves::BBG8T3AMover &) –> class protocols::simple_moves::BBG8T3AMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.BBG8T3AMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::BBG8T3AMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
factorA
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, fA: float) → None¶ C++: protocols::simple_moves::BBGaussianMover::factorA(const double) –> void
-
factorB
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, fB: float) → None¶ C++: protocols::simple_moves::BBGaussianMover::factorB(const double) –> void
-
finalize_simulation
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) → None¶ Callback executed after all Monte Carlo trials are completed.
C++: protocols::canonical_sampling::ThermodynamicMover::finalize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_A
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → None¶ C++: protocols::simple_moves::BBGaussianMover::get_A() –> void
-
get_G
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → None¶ C++: protocols::simple_moves::BBGaussianMover::get_G() –> void
-
get_L_move
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : pyrosetta.rosetta.core.pose.Pose) → float¶ calculate L matrix and update pose
C++: protocols::simple_moves::BBGaussianMover::get_L_move(class core::pose::Pose &) –> double
-
get_L_prime
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → float¶ calculate L’, update last_proposal_density
C++: protocols::simple_moves::BBGaussianMover::get_L_prime() –> double
-
get_VdRdPhi
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::BBGaussianMover::get_VdRdPhi(const class core::pose::Pose &) –> void
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.BBG8T3AMover) → str¶ C++: protocols::simple_moves::BBG8T3AMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
init
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → None¶ C++: protocols::simple_moves::BBGaussianMover::init() –> void
-
init_kic_loop
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, looplength: int, mm: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ C++: protocols::simple_moves::BBGaussianMover::init_kic_loop(unsigned long, class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
initialize_simulation
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover, cycle: int) → None¶ Callback executed before any Monte Carlo trials are attempted.
C++: protocols::canonical_sampling::ThermodynamicMover::initialize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &, unsigned long) –> void
-
is_multi_trial
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → bool¶ Return true if the move performs multiple trials on each apply.
last_inner_score_delta_over_temperature()
metropolis_hastings_mover()
set_metropolis_hastings_mover()
C++: protocols::canonical_sampling::ThermodynamicMover::is_multi_trial() –> bool
-
last_inner_score_delta_over_temperature
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → float¶ - If this is a multi-trial move, return the change in internal
score/temperature caused by the last call to apply().
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::last_inner_score_delta_over_temperature() –> double
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → float¶ get the ratio of proposal densities for the last move
C++: protocols::simple_moves::BBGaussianMover::last_proposal_density_ratio() –> double
-
metropolis_hastings_mover
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t¶ - If this is a multi-trial move, return the MetropolisHastingsMover
being used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::metropolis_hastings_mover() –> class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>
-
movemap
(*args, **kwargs)¶ Overloaded function.
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.kinematics.MoveMap
Generates the movemap used by this mover for the given pose
C++: protocols::simple_moves::BBGaussianMover::movemap(const class core::pose::Pose &) const –> class std::shared_ptr<const class core::kinematics::MoveMap>
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, new_movemap: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
C++: protocols::simple_moves::BBGaussianMover::movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
movemap_factory
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, new_movemap_factory: pyrosetta.rosetta.core.select.movemap.MoveMapFactory) → None¶ The movemap_factory will be used to generate a movemap, if an explcit one hasn’t already been set.
C++: protocols::simple_moves::BBGaussianMover::movemap_factory(class std::shared_ptr<const class core::select::movemap::MoveMapFactory>) –> void
-
mover_name
() → str¶ C++: protocols::simple_moves::BBGaussianMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
observe_after_metropolis
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) → None¶ Callback executed after the Metropolis criterion is evaluated.
C++: protocols::canonical_sampling::ThermodynamicMover::observe_after_metropolis(const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
-
preserve_detailed_balance
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → bool¶ get whether detailed balance is preserved (i.e. no Ramachandran biasing)
C++: protocols::simple_moves::BBGaussianMover::preserve_detailed_balance() const –> bool
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::BBGaussianMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
resize
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : int, : int, : int) → None¶ C++: protocols::simple_moves::BBGaussianMover::resize(unsigned long, unsigned long, unsigned long) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_metropolis_hastings_mover
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t) → None¶ - If this is a multi-trial move, set the MetropolisHastingsMover to
be used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::set_metropolis_hastings_mover(class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_preserve_detailed_balance
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, preserve_detailed_balance: bool) → None¶ set whether detailed balance is preserved (i.e. no Ramachandran biasing)
C++: protocols::simple_moves::BBGaussianMover::set_preserve_detailed_balance(bool) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
torsion_id_ranges
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.utility.vector1_core_id_TorsionID_Range¶ dummy
C++: protocols::simple_moves::BBGaussianMover::torsion_id_ranges(class core::pose::Pose &) –> class utility::vector1<class core::id::TorsionID_Range, class std::allocator<class core::id::TorsionID_Range> >
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
update_counting_last_PDR
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : float) → None¶ C++: protocols::simple_moves::BBGaussianMover::update_counting_last_PDR(double) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
BBGaussianMover
¶ Bases:
pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover
the basic class for implementing Gaussian Perturbation of bb
“Monte Carlo update for chain molecules: Biased Gaussian steps in torsional space” “The Journal of Chemical Physics, Vol. 114, No. 18. (2001), pp. 8154-8158.” Two steps for perturbing the backbone and keeping the geometry constrain Step 1: Gaussian Biased steps in torsional space: the end atoms of the moving segment should be choosen by user and to keep the geometry constrain(6), the DOF of the moving segment > 6 Step 2: “pivot” update the bb conformation, or followed by a chainclosure method (BBConRot)
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : int, : int, : int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, arg0: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::BBGaussianMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover¶ C++: protocols::simple_moves::BBGaussianMover::operator=(const class protocols::simple_moves::BBGaussianMover &) –> class protocols::simple_moves::BBGaussianMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::BBGaussianMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
factorA
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, fA: float) → None¶ C++: protocols::simple_moves::BBGaussianMover::factorA(const double) –> void
-
factorB
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, fB: float) → None¶ C++: protocols::simple_moves::BBGaussianMover::factorB(const double) –> void
-
finalize_simulation
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) → None¶ Callback executed after all Monte Carlo trials are completed.
C++: protocols::canonical_sampling::ThermodynamicMover::finalize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_A
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → None¶ C++: protocols::simple_moves::BBGaussianMover::get_A() –> void
-
get_G
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → None¶ C++: protocols::simple_moves::BBGaussianMover::get_G() –> void
-
get_L_move
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : pyrosetta.rosetta.core.pose.Pose) → float¶ calculate L matrix and update pose
C++: protocols::simple_moves::BBGaussianMover::get_L_move(class core::pose::Pose &) –> double
-
get_L_prime
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → float¶ calculate L’, update last_proposal_density
C++: protocols::simple_moves::BBGaussianMover::get_L_prime() –> double
-
get_VdRdPhi
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::BBGaussianMover::get_VdRdPhi(const class core::pose::Pose &) –> void
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → str¶ C++: protocols::simple_moves::BBGaussianMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
init
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → None¶ C++: protocols::simple_moves::BBGaussianMover::init() –> void
-
init_kic_loop
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, looplength: int, mm: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ C++: protocols::simple_moves::BBGaussianMover::init_kic_loop(unsigned long, class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
initialize_simulation
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover, cycle: int) → None¶ Callback executed before any Monte Carlo trials are attempted.
C++: protocols::canonical_sampling::ThermodynamicMover::initialize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &, unsigned long) –> void
-
is_multi_trial
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → bool¶ Return true if the move performs multiple trials on each apply.
last_inner_score_delta_over_temperature()
metropolis_hastings_mover()
set_metropolis_hastings_mover()
C++: protocols::canonical_sampling::ThermodynamicMover::is_multi_trial() –> bool
-
last_inner_score_delta_over_temperature
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → float¶ - If this is a multi-trial move, return the change in internal
score/temperature caused by the last call to apply().
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::last_inner_score_delta_over_temperature() –> double
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → float¶ get the ratio of proposal densities for the last move
C++: protocols::simple_moves::BBGaussianMover::last_proposal_density_ratio() –> double
-
metropolis_hastings_mover
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t¶ - If this is a multi-trial move, return the MetropolisHastingsMover
being used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::metropolis_hastings_mover() –> class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>
-
movemap
(*args, **kwargs)¶ Overloaded function.
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.kinematics.MoveMap
Generates the movemap used by this mover for the given pose
C++: protocols::simple_moves::BBGaussianMover::movemap(const class core::pose::Pose &) const –> class std::shared_ptr<const class core::kinematics::MoveMap>
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, new_movemap: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
C++: protocols::simple_moves::BBGaussianMover::movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
movemap_factory
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, new_movemap_factory: pyrosetta.rosetta.core.select.movemap.MoveMapFactory) → None¶ The movemap_factory will be used to generate a movemap, if an explcit one hasn’t already been set.
C++: protocols::simple_moves::BBGaussianMover::movemap_factory(class std::shared_ptr<const class core::select::movemap::MoveMapFactory>) –> void
-
mover_name
() → str¶ C++: protocols::simple_moves::BBGaussianMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
observe_after_metropolis
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) → None¶ Callback executed after the Metropolis criterion is evaluated.
C++: protocols::canonical_sampling::ThermodynamicMover::observe_after_metropolis(const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
-
preserve_detailed_balance
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover) → bool¶ get whether detailed balance is preserved (i.e. no Ramachandran biasing)
C++: protocols::simple_moves::BBGaussianMover::preserve_detailed_balance() const –> bool
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::BBGaussianMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
resize
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : int, : int, : int) → None¶ C++: protocols::simple_moves::BBGaussianMover::resize(unsigned long, unsigned long, unsigned long) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_metropolis_hastings_mover
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t) → None¶ - If this is a multi-trial move, set the MetropolisHastingsMover to
be used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::set_metropolis_hastings_mover(class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_preserve_detailed_balance
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, preserve_detailed_balance: bool) → None¶ set whether detailed balance is preserved (i.e. no Ramachandran biasing)
C++: protocols::simple_moves::BBGaussianMover::set_preserve_detailed_balance(bool) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
torsion_id_ranges
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.utility.vector1_core_id_TorsionID_Range¶ dummy
C++: protocols::simple_moves::BBGaussianMover::torsion_id_ranges(class core::pose::Pose &) –> class utility::vector1<class core::id::TorsionID_Range, class std::allocator<class core::id::TorsionID_Range> >
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
update_counting_last_PDR
(self: pyrosetta.rosetta.protocols.simple_moves.BBGaussianMover, : float) → None¶ C++: protocols::simple_moves::BBGaussianMover::update_counting_last_PDR(double) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
BackboneMover
¶ Bases:
pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover
BackboneMover class has elements of the MC temperature to do repetitions of bb moves (small, shear, wobble, etc.).
change this to some kind of ‘protocol’ so the MC is managed separately from conformational moves
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
angle_max
(*args, **kwargs)¶ Overloaded function.
- angle_max(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, angle: float) -> None
- Sets the maximum angle of perturbation, independent of
secondary structure. new_angle = old_angle +/- ( angle_max/2 )
- Example:
- bbmover.angle_max(25)
- See also:
- ShearMover SmallMover
C++: protocols::simple_moves::BackboneMover::angle_max(const double) –> void
- angle_max(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, type: str, angle: float) -> None
- Sets the max angle of perturbation for residues with <type>
secondary structure. (<type> must be ‘H’, ‘E’, or ‘L’.) new_angle = old_angle +/- ( angle_max/2 )
- Example:
- bbmover.angle_max(‘H’, 25)
- See also:
- ShearMover SmallMover
C++: protocols::simple_moves::BackboneMover::angle_max(const char, const double) –> void
- angle_max(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, angle_max_in: pyrosetta.rosetta.std.map_char_double) -> None
- Sets the max angle of perturbation, for secondary structures
- ‘H’, ‘E’, and ‘L’. new_angle = old_angle +/- ( angle_max/2 )
C++: protocols::simple_moves::BackboneMover::angle_max(class std::map<char, double, struct std::less<char>, class std::allocator<struct std::pair<const char, double> > >) –> void
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ virtual functions that get overridden or called from the inheriting classes
C++: protocols::simple_moves::BackboneMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, : pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → pyrosetta.rosetta.protocols.simple_moves.BackboneMover¶ C++: protocols::simple_moves::BackboneMover::operator=(const class protocols::simple_moves::BackboneMover &) –> class protocols::simple_moves::BackboneMover &
-
backbone_mover_complex_type_namer
(tag_name: str) → str¶ C++: protocols::simple_moves::BackboneMover::backbone_mover_complex_type_namer(class std::basic_string<char>) –> std::string
-
check_rama
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → bool¶ C++: protocols::simple_moves::BackboneMover::check_rama() –> bool
-
clear
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → None¶ C++: protocols::simple_moves::BackboneMover::clear() –> void
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
complex_type_generator_for_backbone_mover
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → pyrosetta.rosetta.utility.tag.XMLSchemaComplexTypeGenerator¶ C++: protocols::simple_moves::BackboneMover::complex_type_generator_for_backbone_mover(class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
finalize_simulation
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) → None¶ Callback executed after all Monte Carlo trials are completed.
C++: protocols::canonical_sampling::ThermodynamicMover::finalize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_angle_max
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, type: str) → float¶ - Gets the max angle of perturbation for residues with <type>
secondary structure. (<type> must be ‘H’, ‘E’, or ‘L’.)
- Example:
- bbmover.angle_max(‘H’)
- See also:
- ShearMover SmallMover
C++: protocols::simple_moves::BackboneMover::get_angle_max(const char) const –> double
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → str¶ C++: protocols::simple_moves::BackboneMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
initialize_simulation
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover, cycle: int) → None¶ Callback executed before any Monte Carlo trials are attempted.
C++: protocols::canonical_sampling::ThermodynamicMover::initialize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &, unsigned long) –> void
-
is_multi_trial
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → bool¶ Return true if the move performs multiple trials on each apply.
last_inner_score_delta_over_temperature()
metropolis_hastings_mover()
set_metropolis_hastings_mover()
C++: protocols::canonical_sampling::ThermodynamicMover::is_multi_trial() –> bool
-
last_inner_score_delta_over_temperature
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → float¶ - If this is a multi-trial move, return the change in internal
score/temperature caused by the last call to apply().
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::last_inner_score_delta_over_temperature() –> double
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → float¶ Return the proposal density ratio for last apply method.
C++: protocols::canonical_sampling::ThermodynamicMover::last_proposal_density_ratio() –> double
-
make_move
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, : pyrosetta.rosetta.core.pose.Pose) → bool¶ C++: protocols::simple_moves::BackboneMover::make_move(class core::pose::Pose &) –> bool
-
metropolis_hastings_mover
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t¶ - If this is a multi-trial move, return the MetropolisHastingsMover
being used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::metropolis_hastings_mover() –> class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>
-
movemap
(*args, **kwargs)¶ Overloaded function.
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, new_movemap: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
C++: protocols::simple_moves::BackboneMover::movemap(class std::shared_ptr<class core::kinematics::MoveMap>) –> void
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.kinematics.MoveMap
Get the movemap for this pose
C++: protocols::simple_moves::BackboneMover::movemap(const class core::pose::Pose &) –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
movemap_factory
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, new_movemap_factory: pyrosetta.rosetta.core.select.movemap.MoveMapFactory) → None¶ C++: protocols::simple_moves::BackboneMover::movemap_factory(class std::shared_ptr<const class core::select::movemap::MoveMapFactory>) –> void
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
new_omega
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → float¶ C++: protocols::simple_moves::BackboneMover::new_omega() –> double
-
new_phi
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → float¶ C++: protocols::simple_moves::BackboneMover::new_phi() –> double
-
new_psi
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → float¶ C++: protocols::simple_moves::BackboneMover::new_psi() –> double
-
nmoves
(*args, **kwargs)¶ Overloaded function.
- nmoves(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, nmoves_in: int) -> None
C++: protocols::simple_moves::BackboneMover::nmoves(const unsigned long) –> void
- nmoves(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> int
C++: protocols::simple_moves::BackboneMover::nmoves() const –> unsigned long
-
observe_after_metropolis
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) → None¶ Callback executed after the Metropolis criterion is evaluated.
C++: protocols::canonical_sampling::ThermodynamicMover::observe_after_metropolis(const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
-
preserve_detailed_balance
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → bool¶ get whether detailed balance is preserved (i.e. no Ramachandran biasing)
C++: protocols::simple_moves::BackboneMover::preserve_detailed_balance() const –> bool
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
scorefxn
(*args, **kwargs)¶ Overloaded function.
- scorefxn(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
if set, this scorefunction will be used instead of the original rama method (default = not set)
C++: protocols::simple_moves::BackboneMover::scorefxn() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
- scorefxn(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
C++: protocols::simple_moves::BackboneMover::scorefxn(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void
-
selector
(*args, **kwargs)¶ Overloaded function.
- selector(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> pyrosetta.rosetta.core.select.residue_selector.ResidueSelector
- returns the residue selector which can be used to dynamically select residues to perturb
- at runtime
C++: protocols::simple_moves::BackboneMover::selector() const –> class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>
- selector(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) -> None
C++: protocols::simple_moves::BackboneMover::selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_angles
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, : float) → None¶ C++: protocols::simple_moves::BackboneMover::set_angles(double) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_metropolis_hastings_mover
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t) → None¶ - If this is a multi-trial move, set the MetropolisHastingsMover to
be used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::set_metropolis_hastings_mover(class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_preserve_detailed_balance
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, preserve_detailed_balance: bool) → None¶ set whether detailed balance is preserved (i.e. no Ramachandran biasing)
C++: protocols::simple_moves::BackboneMover::set_preserve_detailed_balance(bool) –> void
-
set_residue_selector
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ Set the ResidueSelector that this mover will use.
Clones the input.C++: protocols::simple_moves::BackboneMover::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
setup_list
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::BackboneMover::setup_list(class core::pose::Pose &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::BackboneMover::show(class std::basic_ostream<char> &) const –> void
-
temperature
(*args, **kwargs)¶ Overloaded function.
- temperature(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, temperature_in: float) -> None
Properties set/get functions
C++: protocols::simple_moves::BackboneMover::temperature(const double) –> void
- temperature(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> float
C++: protocols::simple_moves::BackboneMover::temperature() const –> double
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
torsion_id_ranges
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.utility.vector1_core_id_TorsionID_Range¶ - Return a list specifying which torsions may be perturbed by
apply(), and the in what range each perturbation may be.
This method should probably not be pure virtual, and in fact should probably not even exist. I searched most of the codebase, and could only find it being used in one pilot app. It is also a somewhat difficult method to write, which means that most of the implementations are either untested or no-ops. It might be better to remove the method altogether and implement it on a class-by-class basis as necessary.
C++: protocols::canonical_sampling::ThermodynamicMover::torsion_id_ranges(class core::pose::Pose &) –> class utility::vector1<class core::id::TorsionID_Range, class std::allocator<class core::id::TorsionID_Range> >
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
ChainSplitMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
ChainSplitMover splits a pose into two chains given a cutpoint. This may be necessary for evaluating a domain interface using classes such as the InterfaceAnalyzerMover
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ChainSplitMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ChainSplitMover, cutpoint: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ChainSplitMover, arg0: pyrosetta.rosetta.protocols.simple_moves.ChainSplitMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.ChainSplitMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::ChainSplitMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.ChainSplitMover, : pyrosetta.rosetta.protocols.simple_moves.ChainSplitMover) → pyrosetta.rosetta.protocols.simple_moves.ChainSplitMover¶ C++: protocols::simple_moves::ChainSplitMover::operator=(const class protocols::simple_moves::ChainSplitMover &) –> class protocols::simple_moves::ChainSplitMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ChainSplitMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ChainSplitMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ChainSplitMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ChainSplitMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.ChainSplitMover) → str¶ C++: protocols::simple_moves::ChainSplitMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
ChangeAndResetFoldTreeMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.MoverApplyingMover
Basic mover used primarily for setting up atomic protocols, especially in generator functions.
As the Topology Broker system includes more claims and is more widely adopted, This should not be used in favor of the Broker system.
- Holds the Pose’s original FoldTree
- Applies its ChangeFoldTreeMover
- Applies its Main mover
- Returns the Pose’s original FoldTree
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover, main_mover: pyrosetta.rosetta.protocols.moves.Mover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover, main_mover: pyrosetta.rosetta.protocols.moves.Mover, ft_mover: pyrosetta.rosetta.protocols.moves.ChangeFoldTreeMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover, main_mover: pyrosetta.rosetta.protocols.moves.Mover, ft_mover: pyrosetta.rosetta.protocols.moves.ChangeFoldTreeMover, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover, arg0: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - Holds the Pose’s original FoldTree
- Applies the ChangeFoldTreeMover
- Applies the Main mover
- Returns the Pose’s original FoldTree
C++: protocols::simple_moves::ChangeAndResetFoldTreeMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover, : pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover) → pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover¶ C++: protocols::simple_moves::ChangeAndResetFoldTreeMover::operator=(const class protocols::simple_moves::ChangeAndResetFoldTreeMover &) –> class protocols::simple_moves::ChangeAndResetFoldTreeMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ChangeAndResetFoldTreeMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ChangeAndResetFoldTreeMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
ft_mover
(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover) → pyrosetta.rosetta.protocols.moves.ChangeFoldTreeMover¶ Get the ChangeFoldTreeMover
C++: protocols::simple_moves::ChangeAndResetFoldTreeMover::ft_mover() const –> class std::shared_ptr<class protocols::moves::ChangeFoldTreeMover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover) → str¶ C++: protocols::simple_moves::ChangeAndResetFoldTreeMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover
(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover) → pyrosetta.rosetta.protocols.moves.Mover¶ Get the main mover
C++: protocols::simple_moves::ChangeAndResetFoldTreeMover::mover() const –> class std::shared_ptr<class protocols::moves::Mover>
-
mover_name
() → str¶ C++: protocols::simple_moves::ChangeAndResetFoldTreeMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::ChangeAndResetFoldTreeMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
scorefxn
(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover) → pyrosetta.rosetta.core.scoring.ScoreFunction¶ Get the set ScoreFunction
C++: protocols::simple_moves::ChangeAndResetFoldTreeMover::scorefxn() const –> class std::shared_ptr<const class core::scoring::ScoreFunction>
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_ft_mover
(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover, ft_mover: pyrosetta.rosetta.protocols.moves.ChangeFoldTreeMover) → None¶ Set the ChangeFoldTreeMover
C++: protocols::simple_moves::ChangeAndResetFoldTreeMover::set_ft_mover(class std::shared_ptr<class protocols::moves::ChangeFoldTreeMover>) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_mover
(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover, main_mover: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Set the main mover to apply
C++: protocols::simple_moves::ChangeAndResetFoldTreeMover::set_mover(class std::shared_ptr<class protocols::moves::Mover>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_scorefxn
(self: pyrosetta.rosetta.protocols.simple_moves.ChangeAndResetFoldTreeMover, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ - Set the ScoreFunction.
- Used ONLY for printing score information before and after the move!!
C++: protocols::simple_moves::ChangeAndResetFoldTreeMover::set_scorefxn(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
class
pyrosetta.rosetta.protocols.simple_moves.
ClassicFragmentMover
¶ Bases:
pyrosetta.rosetta.protocols.simple_moves.FragmentMover
A FragmentMover that applies uniform sampling of fragments
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, fragset: pyrosetta.rosetta.core.fragment.FragSet) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, fragset: pyrosetta.rosetta.core.fragment.FragSet, movemap: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, fragset: pyrosetta.rosetta.core.fragment.ConstantLengthFragSet, movemap: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, arg0: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(*args, **kwargs)¶ Overloaded function.
- apply(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, pos: int) -> bool
- apply(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose) -> None
Applies classic fragment insertion based on a FragSet
- example:
- mover_3mer.apply(pose)
- See also:
- ClassicFragmentMover Pose ConstantLengthFragSet
C++: protocols::simple_moves::ClassicFragmentMover::apply(class core::pose::Pose &) –> void
-
apply_at_all_positions
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, : pyrosetta.rosetta.core.pose.Pose) → int¶ apply at all movemable positions — honors movemap
C++: protocols::simple_moves::FragmentMover::apply_at_all_positions(class core::pose::Pose &) const –> unsigned long
-
apply_fragment
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, frame: pyrosetta.rosetta.core.fragment.Frame, frag_num: int, movemap: pyrosetta.rosetta.core.kinematics.MoveMap, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶ apply the chosen fragment,
this can be overloaded to change action, e.,g., WobbleMover introduces chain-break before fragment insertion and does ccd-loop closure afterwardsC++: protocols::simple_moves::ClassicFragmentMover::apply_fragment(const class core::fragment::Frame &, unsigned long, const class core::kinematics::MoveMap &, class core::pose::Pose &) const –> bool
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover¶ C++: protocols::simple_moves::ClassicFragmentMover::operator=(const class protocols::simple_moves::ClassicFragmentMover &) –> class protocols::simple_moves::ClassicFragmentMover &
-
check_ss
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → bool¶ accessor
C++: protocols::simple_moves::ClassicFragmentMover::check_ss() const –> bool
-
choose_fragment
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.fragment.FrameList, : pyrosetta.rosetta.core.pose.Pose, frame_num: int, frag_num: int) → bool¶ - given FrameList and pose, this method yields a fragment ( frame_num/ frag_num);
- return false if nothing suitable is found
C++: protocols::simple_moves::ClassicFragmentMover::choose_fragment(const class core::fragment::FrameList &, const class core::pose::Pose &, unsigned long &, unsigned long &) const –> bool
-
choose_window_length
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, window_length: int) → bool¶ - yields a length (window_length) of the fragment window to sample from
- ( return false, if no suitable length is found )
C++: protocols::simple_moves::ClassicFragmentMover::choose_window_length(const class core::pose::Pose &, unsigned long &) const –> bool
-
choose_window_start
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, window_length: int, window_start: int) → bool¶ - yields a start position (window_start) for fragment window to sample from
- ( return false, if nothing suitable is found )
C++: protocols::simple_moves::ClassicFragmentMover::choose_window_start(const class core::pose::Pose &, unsigned long, unsigned long &) const –> bool
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ClassicFragmentMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
define_start_window
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, window_start: int) → None¶ apply fragment at predefined position
C++: protocols::simple_moves::ClassicFragmentMover::define_start_window(unsigned long) –> void
-
enable_end_bias_check
(*args, **kwargs)¶ Overloaded function.
- enable_end_bias_check(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) -> None
- enable_end_bias_check(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: bool) -> None
C++: protocols::simple_moves::ClassicFragmentMover::enable_end_bias_check(bool) –> void
-
end_bias
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → float¶ C++: protocols::simple_moves::ClassicFragmentMover::end_bias() const –> double
-
end_bias_check
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, window_start: int) → bool¶ C++: protocols::simple_moves::ClassicFragmentMover::end_bias_check(const class core::pose::Pose &, unsigned long) const –> bool
-
end_bias_check_enabled
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → bool¶ C++: protocols::simple_moves::ClassicFragmentMover::end_bias_check_enabled() const –> bool
-
fragments
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.core.fragment.FragSet¶ accessor to the fragment set
C++: protocols::simple_moves::FragmentMover::fragments() const –> class std::shared_ptr<const class core::fragment::FragSet>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ClassicFragmentMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → str¶ C++: protocols::simple_moves::ClassicFragmentMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
initialize
(self: pyrosetta.rosetta.protocols.moves.MoveMapMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::moves::MoveMapMover::initialize(class core::pose::Pose &) –> void
-
insert_map
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ C++: protocols::simple_moves::FragmentMover::insert_map() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
-
insert_size
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ C++: protocols::simple_moves::FragmentMover::insert_size() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
movemap
(*args, **kwargs)¶ Overloaded function.
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, : pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.kinematics.MoveMap
C++: protocols::simple_moves::FragmentMover::movemap(const class core::pose::Pose &) const –> class std::shared_ptr<const class core::kinematics::MoveMap>
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) -> pyrosetta.rosetta.core.kinematics.MoveMap
C++: protocols::simple_moves::FragmentMover::movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
on_new_fragments
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → None¶ is called from set_fragments()
C++: protocols::simple_moves::ClassicFragmentMover::on_new_fragments() –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_check_ss
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: bool) → None¶ check_ss controls whether fragment insertions are rejected that create short helices (<3) or strands (<2)
C++: protocols::simple_moves::ClassicFragmentMover::set_check_ss(bool) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_defaults
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → None¶ set defaults
C++: protocols::simple_moves::ClassicFragmentMover::set_defaults() –> void
-
set_end_bias
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: float) → None¶ C++: protocols::simple_moves::ClassicFragmentMover::set_end_bias(double) –> void
-
set_fragments
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, new_frags_: pyrosetta.rosetta.core.fragment.FragSet) → None¶ setter for the fragment set
C++: protocols::simple_moves::FragmentMover::set_fragments(class std::shared_ptr<const class core::fragment::FragSet>) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_min_frag_length
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: int) → None¶ min_frag_length controls the behaviour fragset->region()
C++: protocols::simple_moves::ClassicFragmentMover::set_min_frag_length(unsigned long) –> void
-
set_min_overlap
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: int) → None¶ min_overlap controls the behaviour fragset->region()
C++: protocols::simple_moves::ClassicFragmentMover::set_min_overlap(unsigned long) –> void
-
set_movemap
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, movemap: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ setter for the movemap
C++: protocols::simple_moves::FragmentMover::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::ClassicFragmentMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
valid_ss
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, new_ss: str) → bool¶ returns true if the ss string is acceptable
C++: protocols::simple_moves::ClassicFragmentMover::valid_ss(const class std::basic_string<char> &) const –> bool
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
ConsensusDesignMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
This mover will modify a given task according to a sequence profile and then call the PackRotamersMover. At every position that is designable in the task, AAs that have a probability > min_aa_probability_ and higher than the native in the sequence profile will be allowed
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover, ptask: pyrosetta.rosetta.core.pack.task.PackerTask, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover, arg0: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::ConsensusDesignMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover, : pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover) → pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover¶ C++: protocols::simple_moves::ConsensusDesignMover::operator=(const class protocols::simple_moves::ConsensusDesignMover &) –> class protocols::simple_moves::ConsensusDesignMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ConsensusDesignMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
create_consensus_design_task
(self: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover, pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.core.pack.task.PackerTask¶ C++: protocols::simple_moves::ConsensusDesignMover::create_consensus_design_task(const class core::pose::Pose &) –> class std::shared_ptr<const class core::pack::task::PackerTask>
-
create_sequence_profile_constraints
(self: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover, pose: pyrosetta.rosetta.core.pose.Pose, task: pyrosetta.rosetta.core.pack.task.PackerTask) → pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_core_scoring_constraints_Constraint_t¶ C++: protocols::simple_moves::ConsensusDesignMover::create_sequence_profile_constraints(const class core::pose::Pose &, const class core::pack::task::PackerTask &) const –> class utility::vector1<class std::shared_ptr<const class core::scoring::constraints::Constraint>, class std::allocator<class std::shared_ptr<const class core::scoring::constraints::Constraint> > >
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ConsensusDesignMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover) → str¶ C++: protocols::simple_moves::ConsensusDesignMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::ConsensusDesignMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::ConsensusDesignMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_invert_task
(self: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover, setting: bool) → None¶ C++: protocols::simple_moves::ConsensusDesignMover::set_invert_task(bool) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_sasa_cutoff
(self: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover, cutoff: float) → None¶ C++: protocols::simple_moves::ConsensusDesignMover::set_sasa_cutoff(double) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
set_use_seqprof_constraints
(self: pyrosetta.rosetta.protocols.simple_moves.ConsensusDesignMover, setting: bool) → None¶ C++: protocols::simple_moves::ConsensusDesignMover::set_use_seqprof_constraints(bool) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
ConstrainToIdealMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Idealization is generally performed by adding constraints to the Pose that keep bond lengths and angles within the appropriate ranges; then freeing those DOFs and performing minimization or sampling. This protocols::moves::Mover creates bond and angle constraints compatible with idealization; it does not modify the input Pose other than by adding constraints. If your pose is already ideal, this is likely to unidealize it. Also, it will add a LOT of degrees of freedom to your minimization, which may lead to significant slowdowns!
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover, arg0: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(*args, **kwargs)¶ Overloaded function.
- apply(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover, pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::simple_moves::ConstrainToIdealMover::apply(class core::pose::Pose &) –> void
- apply(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover, pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
C++: protocols::simple_moves::ConstrainToIdealMover::apply(class core::pose::Pose &, class core::kinematics::MoveMap &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover, rhs: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover) → pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover¶ C++: protocols::simple_moves::ConstrainToIdealMover::operator=(const class protocols::simple_moves::ConstrainToIdealMover &) –> class protocols::simple_moves::ConstrainToIdealMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ConstrainToIdealMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ConstrainToIdealMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_atom_level_domain_map
(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover) → pyrosetta.rosetta.protocols.toolbox.AtomLevelDomainMap¶ getter for AtomLevelDomainMap
C++: protocols::simple_moves::ConstrainToIdealMover::get_atom_level_domain_map() const –> class std::shared_ptr<const class protocols::toolbox::AtomLevelDomainMap>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover) → str¶ C++: protocols::simple_moves::ConstrainToIdealMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_atom_level_domain_map
(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover, atom_level_domain_map: pyrosetta.rosetta.protocols.toolbox.AtomLevelDomainMap) → None¶ setter for AtomLevelDomainMap; makes a shallow copy
C++: protocols::simple_moves::ConstrainToIdealMover::set_atom_level_domain_map(class std::shared_ptr<const class protocols::toolbox::AtomLevelDomainMap>) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_fix_angles
(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover, setting: bool) → None¶ C++: protocols::simple_moves::ConstrainToIdealMover::set_fix_angles(const bool &) –> void
-
set_fix_lengths
(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover, setting: bool) → None¶ C++: protocols::simple_moves::ConstrainToIdealMover::set_fix_lengths(const bool &) –> void
-
set_fix_torsions
(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover, setting: bool) → None¶ C++: protocols::simple_moves::ConstrainToIdealMover::set_fix_torsions(const bool &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_just_polar_hydrogens
(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover, setting: bool) → None¶ C++: protocols::simple_moves::ConstrainToIdealMover::set_just_polar_hydrogens(const bool) –> void
-
set_just_rna_backbone
(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover, setting: bool) → None¶ C++: protocols::simple_moves::ConstrainToIdealMover::set_just_rna_backbone(const bool) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_score_type
(self: pyrosetta.rosetta.protocols.simple_moves.ConstrainToIdealMover, setting: pyrosetta.rosetta.core.scoring.ScoreType) → None¶ C++: protocols::simple_moves::ConstrainToIdealMover::set_score_type(const enum core::scoring::ScoreType) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
ConvertRealToVirtualMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
- Mover for switching a residue type to all VIRTUAL.
- A VIRTUAL Residue is one that is not scored or output.
If no residue_selector is set, will work on ALL residues
See also:
FAToVirtualMover-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover, arg0: pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::ConvertRealToVirtualMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover, : pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover) → pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover¶ C++: protocols::simple_moves::ConvertRealToVirtualMover::operator=(const class protocols::simple_moves::ConvertRealToVirtualMover &) –> class protocols::simple_moves::ConvertRealToVirtualMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::ConvertRealToVirtualMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::ConvertRealToVirtualMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover) → str¶ C++: protocols::simple_moves::ConvertRealToVirtualMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::ConvertRealToVirtualMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::ConvertRealToVirtualMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_residue_selector
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ - Set the residue selector. If you need a particular set of residues,
- use the ReturnSubsetResidueSelector.
C++: protocols::simple_moves::ConvertRealToVirtualMover::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.ConvertRealToVirtualMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::ConvertRealToVirtualMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
class
pyrosetta.rosetta.protocols.simple_moves.
ConvertVirtualToRealMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
- Mover for switching from VIRTUAL residues to REAL residues.
A VIRTUAL residue is one that is not scored or output.
If no residue_selector is set, will work on ALL residues
See also:
FAToVirtualMover-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover, arg0: pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::ConvertVirtualToRealMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover, : pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover) → pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover¶ C++: protocols::simple_moves::ConvertVirtualToRealMover::operator=(const class protocols::simple_moves::ConvertVirtualToRealMover &) –> class protocols::simple_moves::ConvertVirtualToRealMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::ConvertVirtualToRealMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::ConvertVirtualToRealMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover) → str¶ C++: protocols::simple_moves::ConvertVirtualToRealMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::ConvertVirtualToRealMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::ConvertVirtualToRealMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_residue_selector
(self: pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ - Set the residue selector. If you need a particular set of residues,
- use the ReturnSubsetResidueSelector.
C++: protocols::simple_moves::ConvertVirtualToRealMover::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.ConvertVirtualToRealMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::ConvertVirtualToRealMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
class
pyrosetta.rosetta.protocols.simple_moves.
CopyRotamerMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A mover to copy a rotamer (residue identity and conformation) from one position in a pose to another.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover, arg0: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ Apply the mover
C++: protocols::simple_moves::CopyRotamerMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover, : pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover) → pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover¶ C++: protocols::simple_moves::CopyRotamerMover::operator=(const class protocols::simple_moves::CopyRotamerMover &) –> class protocols::simple_moves::CopyRotamerMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::CopyRotamerMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::CopyRotamerMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover) → str¶ C++: protocols::simple_moves::CopyRotamerMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::CopyRotamerMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::CopyRotamerMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_copy_identity
(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover, setting_in: bool) → None¶ Set whether we’re copying the residue identity.
C++: protocols::simple_moves::CopyRotamerMover::set_copy_identity(const bool) –> void
-
set_copy_torsions
(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover, setting_in: bool) → None¶ Set whether we’re copying the residue side-chain torsions.
C++: protocols::simple_moves::CopyRotamerMover::set_copy_torsions(const bool) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_target_res_index
(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover, index_in: int) → None¶ Set pose index of the residue TO which we’re copying.
C++: protocols::simple_moves::CopyRotamerMover::set_target_res_index(const unsigned long) –> void
-
set_template_res_index
(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover, index_in: int) → None¶ Set pose index of the residue FROM which we’re copying.
C++: protocols::simple_moves::CopyRotamerMover::set_template_res_index(const unsigned long) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.CopyRotamerMover, output: pyrosetta.rosetta.std.ostream) -> None
Show the contents of the Mover
C++: protocols::simple_moves::CopyRotamerMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
CoupledMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
This mover is called by CoupledMovesProtocol to make a single coupled move.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, pose: pyrosetta.rosetta.core.pose.Pose, score_fxn: pyrosetta.rosetta.core.scoring.ScoreFunction, packer_task: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, pose: pyrosetta.rosetta.core.pose.Pose, score_fxn: pyrosetta.rosetta.core.scoring.ScoreFunction, packer_task: pyrosetta.rosetta.core.pack.task.PackerTask, ligand_resnum: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, arg0: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::CoupledMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, : pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → pyrosetta.rosetta.protocols.simple_moves.CoupledMover¶ C++: protocols::simple_moves::CoupledMover::operator=(const class protocols::simple_moves::CoupledMover &) –> class protocols::simple_moves::CoupledMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → pyrosetta.rosetta.protocols.moves.Mover¶ clone this object
C++: protocols::simple_moves::CoupledMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → pyrosetta.rosetta.protocols.moves.Mover¶ create this type of object
C++: protocols::simple_moves::CoupledMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_bias_sampling
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → bool¶ C++: protocols::simple_moves::CoupledMover::get_bias_sampling() const –> bool
-
get_bump_check
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → bool¶ C++: protocols::simple_moves::CoupledMover::get_bump_check() const –> bool
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_fix_backbone
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → bool¶ C++: protocols::simple_moves::CoupledMover::get_fix_backbone() const –> bool
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_ligand_jump_id
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → int¶ C++: protocols::simple_moves::CoupledMover::get_ligand_jump_id() const –> unsigned long
-
get_ligand_resnum
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → int¶ C++: protocols::simple_moves::CoupledMover::get_ligand_resnum() const –> unsigned long
-
get_ligand_weight
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → float¶ C++: protocols::simple_moves::CoupledMover::get_ligand_weight() const –> double
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → str¶ C++: protocols::simple_moves::CoupledMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_packer_task
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → pyrosetta.rosetta.core.pack.task.PackerTask¶ C++: protocols::simple_moves::CoupledMover::get_packer_task() const –> class std::shared_ptr<class core::pack::task::PackerTask>
-
get_randomize_resnum
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → bool¶ C++: protocols::simple_moves::CoupledMover::get_randomize_resnum() const –> bool
-
get_resnum
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → int¶ C++: protocols::simple_moves::CoupledMover::get_resnum() const –> unsigned long
-
get_rigid_body_mover
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → pyrosetta.rosetta.protocols.rigid.RigidBodyPerturbMover¶ C++: protocols::simple_moves::CoupledMover::get_rigid_body_mover() const –> class std::shared_ptr<class protocols::rigid::RigidBodyPerturbMover>
-
get_rotation_magnitude
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → float¶ C++: protocols::simple_moves::CoupledMover::get_rotation_magnitude() const –> double
-
get_rotation_std_dev
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → float¶ C++: protocols::simple_moves::CoupledMover::get_rotation_std_dev() const –> double
-
get_score_fxn
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → pyrosetta.rosetta.core.scoring.ScoreFunction¶ C++: protocols::simple_moves::CoupledMover::get_score_fxn() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_short_backrub_mover
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → pyrosetta.rosetta.protocols.simple_moves.ShortBackrubMover¶ C++: protocols::simple_moves::CoupledMover::get_short_backrub_mover() const –> class std::shared_ptr<class protocols::simple_moves::ShortBackrubMover>
-
get_temperature
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → float¶ C++: protocols::simple_moves::CoupledMover::get_temperature() const –> double
-
get_translation_magnitude
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → float¶ C++: protocols::simple_moves::CoupledMover::get_translation_magnitude() const –> double
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
get_uniform_backrub
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover) → bool¶ C++: protocols::simple_moves::CoupledMover::get_uniform_backrub() const –> bool
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::CoupledMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::CoupledMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_bias_sampling
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, bias_sampling: bool) → None¶ C++: protocols::simple_moves::CoupledMover::set_bias_sampling(bool) –> void
-
set_bump_check
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, bump_check: bool) → None¶ C++: protocols::simple_moves::CoupledMover::set_bump_check(bool) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_fix_backbone
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, fix_backbone: bool) → None¶ C++: protocols::simple_moves::CoupledMover::set_fix_backbone(bool) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::CoupledMover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_ligand_jump_id
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, ligand_jump_id: int) → None¶ C++: protocols::simple_moves::CoupledMover::set_ligand_jump_id(unsigned long) –> void
-
set_ligand_resnum
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, ligand_resnum: int, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::CoupledMover::set_ligand_resnum(unsigned long, class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_ligand_weight
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, ligand_weight: float) → None¶ C++: protocols::simple_moves::CoupledMover::set_ligand_weight(double) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_randomize_resnum
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, randomize_resnum: bool) → None¶ C++: protocols::simple_moves::CoupledMover::set_randomize_resnum(bool) –> void
-
set_resnum
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, resnum: int) → None¶ C++: protocols::simple_moves::CoupledMover::set_resnum(unsigned long) –> void
-
set_rigid_body_mover
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, rigid_body_mover: pyrosetta.rosetta.protocols.rigid.RigidBodyPerturbMover) → None¶ C++: protocols::simple_moves::CoupledMover::set_rigid_body_mover(class std::shared_ptr<class protocols::rigid::RigidBodyPerturbMover>) –> void
-
set_rotation_magnitude
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, rotation_magnitude: float) → None¶ C++: protocols::simple_moves::CoupledMover::set_rotation_magnitude(double) –> void
-
set_rotation_std_dev
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, rotation_std_dev: float) → None¶ C++: protocols::simple_moves::CoupledMover::set_rotation_std_dev(double) –> void
-
set_score_fxn
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, score_fxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ C++: protocols::simple_moves::CoupledMover::set_score_fxn(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void
-
set_short_backrub_mover
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, short_backrub_mover: pyrosetta.rosetta.protocols.simple_moves.ShortBackrubMover) → None¶ C++: protocols::simple_moves::CoupledMover::set_short_backrub_mover(class std::shared_ptr<class protocols::simple_moves::ShortBackrubMover>) –> void
-
set_temperature
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, temperature: float) → None¶ C++: protocols::simple_moves::CoupledMover::set_temperature(double) –> void
-
set_translation_magnitude
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, translation_magnitude: float) → None¶ C++: protocols::simple_moves::CoupledMover::set_translation_magnitude(double) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
set_uniform_backrub
(self: pyrosetta.rosetta.protocols.simple_moves.CoupledMover, uniform_backrub: bool) → None¶ C++: protocols::simple_moves::CoupledMover::set_uniform_backrub(bool) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
CstInfoMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A Mover to output information about constraints
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover, arg0: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
add_info_for_csts
(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover, cstlist: pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_core_scoring_constraints_Constraint_t, pose: pyrosetta.rosetta.core.pose.Pose, tag: str) → None¶ C++: protocols::simple_moves::CstInfoMover::add_info_for_csts(const class utility::vector1<class std::shared_ptr<const class core::scoring::constraints::Constraint>, class std::allocator<class std::shared_ptr<const class core::scoring::constraints::Constraint> > > &, class core::pose::Pose &, const class std::basic_string<char> &) const –> void
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::CstInfoMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover, : pyrosetta.rosetta.protocols.simple_moves.CstInfoMover) → pyrosetta.rosetta.protocols.simple_moves.CstInfoMover¶ C++: protocols::simple_moves::CstInfoMover::operator=(const class protocols::simple_moves::CstInfoMover &) –> class protocols::simple_moves::CstInfoMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::CstInfoMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
cst_file
(*args, **kwargs)¶ Overloaded function.
- cst_file(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover, setting: str) -> None
C++: protocols::simple_moves::CstInfoMover::cst_file(const class std::basic_string<char> &) –> void
- cst_file(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover) -> str
C++: protocols::simple_moves::CstInfoMover::cst_file() const –> const std::string &
-
dump_cst_file
(*args, **kwargs)¶ Overloaded function.
- dump_cst_file(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover, setting: str) -> None
C++: protocols::simple_moves::CstInfoMover::dump_cst_file(const class std::basic_string<char> &) –> void
- dump_cst_file(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover) -> str
C++: protocols::simple_moves::CstInfoMover::dump_cst_file() const –> const std::string &
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::CstInfoMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_constraints_from_file
(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover, filename: str, pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_core_scoring_constraints_Constraint_t¶ C++: protocols::simple_moves::CstInfoMover::get_constraints_from_file(const class std::basic_string<char> &, const class core::pose::Pose &) const –> class utility::vector1<class std::shared_ptr<const class core::scoring::constraints::Constraint>, class std::allocator<class std::shared_ptr<const class core::scoring::constraints::Constraint> > >
-
get_constraints_from_pose
(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover, pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_core_scoring_constraints_Constraint_t¶ C++: protocols::simple_moves::CstInfoMover::get_constraints_from_pose(const class core::pose::Pose &) const –> class utility::vector1<class std::shared_ptr<const class core::scoring::constraints::Constraint>, class std::allocator<class std::shared_ptr<const class core::scoring::constraints::Constraint> > >
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover) → str¶ C++: protocols::simple_moves::CstInfoMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::CstInfoMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
prefix
(*args, **kwargs)¶ Overloaded function.
- prefix(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover, setting: str) -> None
C++: protocols::simple_moves::CstInfoMover::prefix(const class std::basic_string<char> &) –> void
- prefix(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover) -> str
C++: protocols::simple_moves::CstInfoMover::prefix() const –> const std::string &
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::CstInfoMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
recursive
(*args, **kwargs)¶ Overloaded function.
- recursive(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover, setting: bool) -> None
C++: protocols::simple_moves::CstInfoMover::recursive(bool) –> void
- recursive(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover) -> bool
C++: protocols::simple_moves::CstInfoMover::recursive() const –> bool
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.CstInfoMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::CstInfoMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
CutChainMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
simple mover that sperates Fv from Fl into two seperate chains
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover, arg0: pyrosetta.rosetta.protocols.simple_moves.CutChainMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::CutChainMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover, : pyrosetta.rosetta.protocols.simple_moves.CutChainMover) → pyrosetta.rosetta.protocols.simple_moves.CutChainMover¶ C++: protocols::simple_moves::CutChainMover::operator=(const class protocols::simple_moves::CutChainMover &) –> class protocols::simple_moves::CutChainMover &
-
bond_length
(*args, **kwargs)¶ Overloaded function.
- bond_length(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover) -> float
C++: protocols::simple_moves::CutChainMover::bond_length() const –> double
- bond_length(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover, : float) -> None
C++: protocols::simple_moves::CutChainMover::bond_length(const double) –> void
-
chain_cut
(*args, **kwargs)¶ Overloaded function.
- chain_cut(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover, pose: pyrosetta.rosetta.core.pose.Pose) -> int
C++: protocols::simple_moves::CutChainMover::chain_cut(class core::pose::Pose &) –> unsigned long
- chain_cut(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover, pose: pyrosetta.rosetta.core.pose.Pose, start_res: int, end_res: int) -> int
C++: protocols::simple_moves::CutChainMover::chain_cut(class core::pose::Pose &, unsigned long, unsigned long) –> unsigned long
-
chain_id
(*args, **kwargs)¶ Overloaded function.
- chain_id(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover) -> int
C++: protocols::simple_moves::CutChainMover::chain_id() const –> unsigned long
- chain_id(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover, : int) -> None
C++: protocols::simple_moves::CutChainMover::chain_id(const unsigned long) –> void
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::CutChainMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
create_subpose
(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::CutChainMover::create_subpose(class core::pose::Pose &) –> void
-
foldTree
(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::CutChainMover::foldTree(class core::pose::Pose &) –> void
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::CutChainMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.CutChainMover) → str¶ C++: protocols::simple_moves::CutChainMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
CyclizationMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
This mover performas a variaty of functions related to cyclizing a chain in a pose.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.CyclizationMover, chain_to_cyclize: int, add_constraints: bool, minimize: bool, minimization_rebuild_rounds: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.CyclizationMover, chain_to_cyclize: int, add_constraints: bool, minimize: bool, minimization_rebuild_rounds: int, score_fxn: pyrosetta.rosetta.core.scoring.ScoreFunction, move_map: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.CyclizationMover, arg0: pyrosetta.rosetta.protocols.simple_moves.CyclizationMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.CyclizationMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::CyclizationMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.moves.Mover, other: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::operator=(const class protocols::moves::Mover &) –> class protocols::moves::Mover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.CyclizationMover) → str¶ C++: protocols::simple_moves::CyclizationMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
DeleteChainsMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Delete a chain from a Pose, or a set of chains.
- Deletes Each chain using conformation.delete_residue_range_slow
- Calls detect bonds, pseudobonds, and disulfides
- Makes sure PDBInfo is still intact
- Sets a new reasonable FoldTree
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover, chains: pyrosetta.rosetta.utility.vector1_unsigned_long) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover, chains: str, pose: pyrosetta.rosetta.core.pose.Pose) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover, arg0: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::DeleteChainsMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover, : pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover) → pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover¶ C++: protocols::simple_moves::DeleteChainsMover::operator=(const class protocols::simple_moves::DeleteChainsMover &) –> class protocols::simple_moves::DeleteChainsMover &
-
chains
(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ Get the chain
C++: protocols::simple_moves::DeleteChainsMover::chains() const –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover) → pyrosetta.rosetta.protocols.moves.Mover¶ ///////////// Mover Methods /////////////////////////////////////////////
C++: protocols::simple_moves::DeleteChainsMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
detect_bonds
(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover) → bool¶ C++: protocols::simple_moves::DeleteChainsMover::detect_bonds() const –> bool
-
detect_pseudobonds
(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover) → bool¶ C++: protocols::simple_moves::DeleteChainsMover::detect_pseudobonds() const –> bool
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::DeleteChainsMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover) → str¶ C++: protocols::simple_moves::DeleteChainsMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::DeleteChainsMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::DeleteChainsMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_chains
(*args, **kwargs)¶ Overloaded function.
- set_chains(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover, chains: pyrosetta.rosetta.utility.vector1_unsigned_long) -> None
Set the chain
C++: protocols::simple_moves::DeleteChainsMover::set_chains(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
- set_chains(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover, chains: str, pose: pyrosetta.rosetta.core.pose.Pose) -> None
Set the chain
C++: protocols::simple_moves::DeleteChainsMover::set_chains(const class std::basic_string<char> &, const class core::pose::Pose &) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_defaults
(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover) → None¶ C++: protocols::simple_moves::DeleteChainsMover::set_defaults() –> void
-
set_detect_bonds
(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover, detect_bonds: bool) → None¶ - Set the class to detect bonds after full deletion of chains?
- Default True. Override for speed and if you know there are no bonds between chains other than possible disulfides.
C++: protocols::simple_moves::DeleteChainsMover::set_detect_bonds(bool) –> void
-
set_detect_pseudobonds
(self: pyrosetta.rosetta.protocols.simple_moves.DeleteChainsMover, detect_pseudobonds: bool) → None¶ - Set the class to detect psuedobonds after full deletion of chains?
- Default True. Override for speed and if you know there are no pseudobonds between chains other than possible disulfides.
C++: protocols::simple_moves::DeleteChainsMover::set_detect_pseudobonds(bool) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
class
pyrosetta.rosetta.protocols.simple_moves.
DesignRepackMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
a pure virtual base class for movers which redesign and repack the interface
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, name: str) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, arg0: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ a dummy apply so that instantiation of this baseclass would be possible.
C++: protocols::simple_moves::DesignRepackMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, : pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) → pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover¶ C++: protocols::simple_moves::DesignRepackMover::operator=(const class protocols::simple_moves::DesignRepackMover &) –> class protocols::simple_moves::DesignRepackMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clear_task
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) → None¶ - after fiddling with a task from outside this mover, clear it, or else, on the next iteration through
- the mover the changes will be remembered
C++: protocols::simple_moves::DesignRepackMover::clear_task() –> void
-
clear_task_factory
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) → None¶ C++: protocols::simple_moves::DesignRepackMover::clear_task_factory() –> void
-
clone
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
design
(*args, **kwargs)¶ Overloaded function.
- design(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, des: bool) -> None
C++: protocols::simple_moves::DesignRepackMover::design(const bool) –> void
- design(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) -> bool
C++: protocols::simple_moves::DesignRepackMover::design() const –> bool
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) → str¶ C++: protocols::simple_moves::DesignRepackMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
get_xsd_complex_type
() → pyrosetta.rosetta.utility.tag.XMLSchemaComplexTypeGenerator¶ C++: protocols::simple_moves::DesignRepackMover::get_xsd_complex_type() –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
min_bb
(*args, **kwargs)¶ Overloaded function.
- min_bb(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, min_bb: pyrosetta.rosetta.utility.vector1_bool) -> None
C++: protocols::simple_moves::DesignRepackMover::min_bb(const class utility::vector1<bool, class std::allocator<bool> > &) –> void
- min_bb(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) -> pyrosetta.rosetta.utility.vector1_bool
C++: protocols::simple_moves::DesignRepackMover::min_bb() const –> const class utility::vector1<bool, class std::allocator<bool> > &
-
min_bb_set
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) → bool¶ C++: protocols::simple_moves::DesignRepackMover::min_bb_set() const –> bool
-
min_rb
(*args, **kwargs)¶ Overloaded function.
- min_rb(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, min_rb: pyrosetta.rosetta.utility.vector1_bool) -> None
C++: protocols::simple_moves::DesignRepackMover::min_rb(const class utility::vector1<bool, class std::allocator<bool> > &) –> void
- min_rb(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, min_rb: bool) -> None
in most cases, there would only be one rb dof making it useful to have a non-vector accessor to min_rb_. However, if the pose has multiple jumps, setting min_rb_ in this way might cause trouble in other parts of the code.
C++: protocols::simple_moves::DesignRepackMover::min_rb(const bool) –> void
- min_rb(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) -> pyrosetta.rosetta.utility.vector1_bool
C++: protocols::simple_moves::DesignRepackMover::min_rb() const –> const class utility::vector1<bool, class std::allocator<bool> > &
-
min_rb_set
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) → bool¶ C++: protocols::simple_moves::DesignRepackMover::min_rb_set() const –> bool
-
min_sc
(*args, **kwargs)¶ Overloaded function.
- min_sc(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, min_sc: pyrosetta.rosetta.utility.vector1_bool) -> None
C++: protocols::simple_moves::DesignRepackMover::min_sc(const class utility::vector1<bool, class std::allocator<bool> > &) –> void
- min_sc(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) -> pyrosetta.rosetta.utility.vector1_bool
C++: protocols::simple_moves::DesignRepackMover::min_sc() const –> const class utility::vector1<bool, class std::allocator<bool> > &
-
min_sc_set
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) → bool¶ C++: protocols::simple_moves::DesignRepackMover::min_sc_set() const –> bool
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
optimize_foldtree
(*args, **kwargs)¶ Overloaded function.
- optimize_foldtree(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) -> bool
C++: protocols::simple_moves::DesignRepackMover::optimize_foldtree() const –> bool
- optimize_foldtree(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, opt: bool) -> None
C++: protocols::simple_moves::DesignRepackMover::optimize_foldtree(const bool) –> void
-
prevent_repacking
(*args, **kwargs)¶ Overloaded function.
- prevent_repacking(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, p: pyrosetta.rosetta.utility.vector1_unsigned_long) -> None
C++: protocols::simple_moves::DesignRepackMover::prevent_repacking(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
- prevent_repacking(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) -> pyrosetta.rosetta.utility.vector1_unsigned_long
C++: protocols::simple_moves::DesignRepackMover::prevent_repacking() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
restrict_to_repacking
(*args, **kwargs)¶ Overloaded function.
- restrict_to_repacking(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, p: pyrosetta.rosetta.utility.vector1_unsigned_long) -> None
C++: protocols::simple_moves::DesignRepackMover::restrict_to_repacking(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
- restrict_to_repacking(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) -> pyrosetta.rosetta.utility.vector1_unsigned_long
C++: protocols::simple_moves::DesignRepackMover::restrict_to_repacking() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
-
scorefxn_minimize
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) → pyrosetta.rosetta.core.scoring.ScoreFunction¶ C++: protocols::simple_moves::DesignRepackMover::scorefxn_minimize() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
-
scorefxn_repack
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) → pyrosetta.rosetta.core.scoring.ScoreFunction¶ C++: protocols::simple_moves::DesignRepackMover::scorefxn_repack() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_scorefxn_minimize
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ C++: protocols::simple_moves::DesignRepackMover::set_scorefxn_minimize(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
-
set_scorefxn_repack
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ C++: protocols::simple_moves::DesignRepackMover::set_scorefxn_repack(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
setup_packer_and_movemap
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::DesignRepackMover::setup_packer_and_movemap(const class core::pose::Pose &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
task
(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) → pyrosetta.rosetta.core.pack.task.PackerTask¶ C++: protocols::simple_moves::DesignRepackMover::task() –> class std::shared_ptr<class core::pack::task::PackerTask> &
-
task_factory
(*args, **kwargs)¶ Overloaded function.
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, p: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None
C++: protocols::simple_moves::DesignRepackMover::task_factory(class std::shared_ptr<class core::pack::task::TaskFactory>) –> void
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) -> pyrosetta.rosetta.core.pack.task.TaskFactory
C++: protocols::simple_moves::DesignRepackMover::task_factory() –> class std::shared_ptr<class core::pack::task::TaskFactory> &
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
use_preset_task
(*args, **kwargs)¶ Overloaded function.
- use_preset_task(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover, bt: bool) -> None
C++: protocols::simple_moves::DesignRepackMover::use_preset_task(const bool) –> void
- use_preset_task(self: pyrosetta.rosetta.protocols.simple_moves.DesignRepackMover) -> bool
C++: protocols::simple_moves::DesignRepackMover::use_preset_task() const –> bool
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
DisulfideInsertionMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
a mover that given a receptor peptide pose mutates the peptides edge residues to cysteins, if needed, and enforces disulfide bonding by constrained minimization of the bond and the interaction
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover, arg0: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::DisulfideInsertionMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover, : pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover) → pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover¶ C++: protocols::simple_moves::DisulfideInsertionMover::operator=(const class protocols::simple_moves::DisulfideInsertionMover &) –> class protocols::simple_moves::DisulfideInsertionMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::DisulfideInsertionMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
determine_cyclization_viability
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover, partner_pose: pyrosetta.rosetta.core.pose.Pose, n_cyd_position: int, c_cyd_position: int) → pyrosetta.rosetta.protocols.simple_moves.DisulfideCyclizationViability¶ - checks if two residues in a pose are near enough in space
- and geometrically similar enough to existing disulfide forming cys
C++: protocols::simple_moves::DisulfideInsertionMover::determine_cyclization_viability(const class core::pose::Pose &, const unsigned long, unsigned long) –> enum protocols::simple_moves::DisulfideCyclizationViability
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_c_cyd_seqpos
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover) → int¶ C++: protocols::simple_moves::DisulfideInsertionMover::get_c_cyd_seqpos() const –> unsigned long
-
get_constraint_weight
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover) → float¶ C++: protocols::simple_moves::DisulfideInsertionMover::get_constraint_weight() const –> double
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_max_dslf_energy
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover) → float¶ C++: protocols::simple_moves::DisulfideInsertionMover::get_max_dslf_energy() –> double
-
get_max_dslf_pot
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover) → float¶ C++: protocols::simple_moves::DisulfideInsertionMover::get_max_dslf_pot() –> double
-
get_movemap_factory
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover) → pyrosetta.rosetta.core.select.movemap.MoveMapFactory¶ C++: protocols::simple_moves::DisulfideInsertionMover::get_movemap_factory() const –> class std::shared_ptr<const class core::select::movemap::MoveMapFactory>
-
get_n_cyd_seqpos
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover) → int¶ C++: protocols::simple_moves::DisulfideInsertionMover::get_n_cyd_seqpos() const –> unsigned long
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover) → str¶ C++: protocols::simple_moves::DisulfideInsertionMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_peptide_chain
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover) → int¶ C++: protocols::simple_moves::DisulfideInsertionMover::get_peptide_chain() const –> unsigned long
-
get_scorefxn
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover) → pyrosetta.rosetta.core.scoring.ScoreFunction¶ C++: protocols::simple_moves::DisulfideInsertionMover::get_scorefxn() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::DisulfideInsertionMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::DisulfideInsertionMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_c_cyd_seqpos
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover, c_cyd_seqpos: int) → None¶ C++: protocols::simple_moves::DisulfideInsertionMover::set_c_cyd_seqpos(const unsigned long) –> void
-
set_constraint_weight
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover, value: float) → None¶ C++: protocols::simple_moves::DisulfideInsertionMover::set_constraint_weight(const double) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_max_dslf_energy
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover, value: float) → None¶ C++: protocols::simple_moves::DisulfideInsertionMover::set_max_dslf_energy(const double) –> void
-
set_max_dslf_pot
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover, value: float) → None¶ C++: protocols::simple_moves::DisulfideInsertionMover::set_max_dslf_pot(const double) –> void
-
set_movemap_factory
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover, mm: pyrosetta.rosetta.core.select.movemap.MoveMapFactory) → None¶ C++: protocols::simple_moves::DisulfideInsertionMover::set_movemap_factory(const class std::shared_ptr<const class core::select::movemap::MoveMapFactory>) –> void
-
set_n_cyd_seqpos
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover, n_cyd_seqpos: int) → None¶ C++: protocols::simple_moves::DisulfideInsertionMover::set_n_cyd_seqpos(const unsigned long) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_peptide_chain
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover, value: int) → None¶ C++: protocols::simple_moves::DisulfideInsertionMover::set_peptide_chain(const unsigned long) –> void
-
set_scorefxn
(self: pyrosetta.rosetta.protocols.simple_moves.DisulfideInsertionMover, score_function: pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ C++: protocols::simple_moves::DisulfideInsertionMover::set_scorefxn(const class std::shared_ptr<class core::scoring::ScoreFunction>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
DumpPdb
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
what you think this can now be assimilated into DumpPdbMover
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DumpPdb) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DumpPdb, fname: str) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DumpPdb, arg0: pyrosetta.rosetta.protocols.simple_moves.DumpPdb) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.DumpPdb, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::DumpPdb::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.DumpPdb, : pyrosetta.rosetta.protocols.simple_moves.DumpPdb) → pyrosetta.rosetta.protocols.simple_moves.DumpPdb¶ C++: protocols::simple_moves::DumpPdb::operator=(const class protocols::simple_moves::DumpPdb &) –> class protocols::simple_moves::DumpPdb &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.DumpPdb) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::DumpPdb::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.DumpPdb) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::DumpPdb::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.DumpPdb) → str¶ C++: protocols::simple_moves::DumpPdb::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::DumpPdb::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::DumpPdb::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_filename
(self: pyrosetta.rosetta.protocols.simple_moves.DumpPdb, filename_in: str) → None¶ Set the filename for writing.
Vikram K. Mulligan (vmullig.edu).C++: protocols::simple_moves::DumpPdb::set_filename(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_scorefxn
(self: pyrosetta.rosetta.protocols.simple_moves.DumpPdb, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ C++: protocols::simple_moves::DumpPdb::set_scorefxn(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
tag_time
(*args, **kwargs)¶ Overloaded function.
- tag_time(self: pyrosetta.rosetta.protocols.simple_moves.DumpPdb, setting: bool) -> None
C++: protocols::simple_moves::DumpPdb::tag_time(bool) –> void
- tag_time(self: pyrosetta.rosetta.protocols.simple_moves.DumpPdb) -> bool
C++: protocols::simple_moves::DumpPdb::tag_time() const –> bool
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
DumpSingleResidueRotamers
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Given a residue index, dump all of the rotamers to individual PDB files within 0-1 sd of the mean
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers, rsd_index: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers, arg0: pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ Apply the mover
C++: protocols::simple_moves::DumpSingleResidueRotamers::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers, : pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers) → pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers¶ C++: protocols::simple_moves::DumpSingleResidueRotamers::operator=(const class protocols::simple_moves::DumpSingleResidueRotamers &) –> class protocols::simple_moves::DumpSingleResidueRotamers &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::DumpSingleResidueRotamers::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::DumpSingleResidueRotamers::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers) → str¶ C++: protocols::simple_moves::DumpSingleResidueRotamers::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::DumpSingleResidueRotamers::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::DumpSingleResidueRotamers::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.DumpSingleResidueRotamers, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::DumpSingleResidueRotamers::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
EnergyCutRotamerTrialsMinMover
¶ Bases:
pyrosetta.rosetta.protocols.simple_moves.RotamerTrialsMinMover
Wrapper for Rotamer Trials with Minimization, which modifies only rotamers whose energy changed by a given constant
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.EnergyCutRotamerTrialsMinMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.EnergyCutRotamerTrialsMinMover, scorefxn_in: pyrosetta.rosetta.core.scoring.ScoreFunction, task_in: pyrosetta.rosetta.core.pack.task.PackerTask, mc_in: pyrosetta.rosetta.protocols.moves.MonteCarlo, energycut_in: float) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.EnergyCutRotamerTrialsMinMover, scorefxn_in: pyrosetta.rosetta.core.scoring.ScoreFunction, factory_in: pyrosetta.rosetta.core.pack.task.TaskFactory, mc_in: pyrosetta.rosetta.protocols.moves.MonteCarlo, energycut_in: float) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.EnergyCutRotamerTrialsMinMover, arg0: pyrosetta.rosetta.protocols.simple_moves.EnergyCutRotamerTrialsMinMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.RotamerTrialsMinMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.EnergyCutRotamerTrialsMinMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ apply this mover to a pose
C++: protocols::simple_moves::EnergyCutRotamerTrialsMinMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.EnergyCutRotamerTrialsMinMover, : pyrosetta.rosetta.protocols.simple_moves.EnergyCutRotamerTrialsMinMover) → pyrosetta.rosetta.protocols.simple_moves.EnergyCutRotamerTrialsMinMover¶ C++: protocols::simple_moves::EnergyCutRotamerTrialsMinMover::operator=(const class protocols::simple_moves::EnergyCutRotamerTrialsMinMover &) –> class protocols::simple_moves::EnergyCutRotamerTrialsMinMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.RotamerTrialsMinMover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a copy of this mover instance (for RosettaScripts)
C++: protocols::simple_moves::RotamerTrialsMinMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.RotamerTrialsMinMover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a new mover instance (for RosettaScripts)
C++: protocols::simple_moves::RotamerTrialsMinMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.EnergyCutRotamerTrialsMinMover) → str¶ C++: protocols::simple_moves::EnergyCutRotamerTrialsMinMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
init
(self: pyrosetta.rosetta.protocols.simple_moves.RotamerTrialsMinMover) → None¶ C++: protocols::simple_moves::RotamerTrialsMinMover::init() –> void
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::RotamerTrialsMinMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::RotamerTrialsMinMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
score_function
(self: pyrosetta.rosetta.protocols.simple_moves.RotamerTrialsMinMover, sf: pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ C++: protocols::simple_moves::RotamerTrialsMinMover::score_function(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.RotamerTrialsMinMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.RotamerTrialsMinMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::RotamerTrialsMinMover::show(class std::basic_ostream<char> &) const –> void
-
task_factory
(self: pyrosetta.rosetta.protocols.simple_moves.RotamerTrialsMinMover, tf: pyrosetta.rosetta.core.pack.task.TaskFactory) → None¶ C++: protocols::simple_moves::RotamerTrialsMinMover::task_factory(class std::shared_ptr<const class core::pack::task::TaskFactory>) –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
ForceDisulfidesMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
simple mover that fixes disulfides according to a defined list and then simultaneously repacks within 6A shells around each affected cystein residue.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover, arg0: pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::ForceDisulfidesMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover, : pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover) → pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover¶ C++: protocols::simple_moves::ForceDisulfidesMover::operator=(const class protocols::simple_moves::ForceDisulfidesMover &) –> class protocols::simple_moves::ForceDisulfidesMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ForceDisulfidesMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
disulfides
(*args, **kwargs)¶ Overloaded function.
- disulfides(self: pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover, : pyrosetta.rosetta.utility.vector1_std_pair_unsigned_long_unsigned_long_t) -> None
C++: protocols::simple_moves::ForceDisulfidesMover::disulfides(class utility::vector1<struct std::pair<unsigned long, unsigned long>, class std::allocator<struct std::pair<unsigned long, unsigned long> > >) –> void
- disulfides(self: pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover) -> pyrosetta.rosetta.utility.vector1_std_pair_unsigned_long_unsigned_long_t
C++: protocols::simple_moves::ForceDisulfidesMover::disulfides() const –> class utility::vector1<struct std::pair<unsigned long, unsigned long>, class std::allocator<struct std::pair<unsigned long, unsigned long> > >
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ForceDisulfidesMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover) → str¶ C++: protocols::simple_moves::ForceDisulfidesMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::ForceDisulfidesMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::ForceDisulfidesMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
scorefxn
(*args, **kwargs)¶ Overloaded function.
- scorefxn(self: pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
C++: protocols::simple_moves::ForceDisulfidesMover::scorefxn() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
- scorefxn(self: pyrosetta.rosetta.protocols.simple_moves.ForceDisulfidesMover, s: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
C++: protocols::simple_moves::ForceDisulfidesMover::scorefxn(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
FragmentMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.MoveMapMover
abstract base class for FragmentMovers
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, arg0: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → None¶
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(*args, **kwargs)¶ Overloaded function.
- apply(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, : pyrosetta.rosetta.core.pose.Pose) -> None
- apply(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, : pyrosetta.rosetta.core.pose.Pose, pos: int) -> bool
apply a fragment at pos to movemable dofs
C++: protocols::simple_moves::FragmentMover::apply(class core::pose::Pose &, unsigned long) const –> bool
-
apply_at_all_positions
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, : pyrosetta.rosetta.core.pose.Pose) → int¶ apply at all movemable positions — honors movemap
C++: protocols::simple_moves::FragmentMover::apply_at_all_positions(class core::pose::Pose &) const –> unsigned long
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, : pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.protocols.simple_moves.FragmentMover¶ C++: protocols::simple_moves::FragmentMover::operator=(const class protocols::simple_moves::FragmentMover &) –> class protocols::simple_moves::FragmentMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fragments
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.core.fragment.FragSet¶ accessor to the fragment set
C++: protocols::simple_moves::FragmentMover::fragments() const –> class std::shared_ptr<const class core::fragment::FragSet>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → str¶ C++: protocols::simple_moves::FragmentMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
initialize
(self: pyrosetta.rosetta.protocols.moves.MoveMapMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::moves::MoveMapMover::initialize(class core::pose::Pose &) –> void
-
insert_map
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ C++: protocols::simple_moves::FragmentMover::insert_map() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
-
insert_size
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ C++: protocols::simple_moves::FragmentMover::insert_size() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
movemap
(*args, **kwargs)¶ Overloaded function.
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, : pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.kinematics.MoveMap
C++: protocols::simple_moves::FragmentMover::movemap(const class core::pose::Pose &) const –> class std::shared_ptr<const class core::kinematics::MoveMap>
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) -> pyrosetta.rosetta.core.kinematics.MoveMap
C++: protocols::simple_moves::FragmentMover::movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_fragments
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, new_frags_: pyrosetta.rosetta.core.fragment.FragSet) → None¶ setter for the fragment set
C++: protocols::simple_moves::FragmentMover::set_fragments(class std::shared_ptr<const class core::fragment::FragSet>) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_movemap
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, movemap: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ setter for the movemap
C++: protocols::simple_moves::FragmentMover::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
GenericSimulatedAnnealer
¶ Bases:
pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover
GenericSimulatedAnnealer mover for performing simulated annealing trajectories
This class extends GenericMonteCarloMover to provide temperature scaling
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, arg0: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
accept
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, pose: pyrosetta.rosetta.core.pose.Pose, provisional_scores: pyrosetta.rosetta.utility.vector1_double, mca_status: pyrosetta.rosetta.protocols.moves.MCA) → None¶ Does what the mover needs to do when a pose is accepted, given a pose and scores
C++: protocols::simple_moves::GenericMonteCarloMover::accept(class core::pose::Pose &, const class utility::vector1<double, class std::allocator<double> > &, const enum protocols::moves::MCA) –> void
-
accept_counter
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → int¶ C++: protocols::simple_moves::GenericMonteCarloMover::accept_counter() const –> unsigned long
-
accepted_scores
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, i: int) → pyrosetta.rosetta.protocols.simple_moves.AcceptedScores¶ gets a list of scores for acceptance number i
C++: protocols::simple_moves::GenericSimulatedAnnealer::accepted_scores(const unsigned long) const –> const class protocols::simple_moves::AcceptedScores &
-
adaptation_period
(*args, **kwargs)¶ Overloaded function.
- adaptation_period(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, a: int) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::adaptation_period(const unsigned long) –> void
- adaptation_period(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> int
C++: protocols::simple_moves::GenericMonteCarloMover::adaptation_period() const –> unsigned long
-
adaptive
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → pyrosetta.rosetta.utility.vector1_bool¶ C++: protocols::simple_moves::GenericMonteCarloMover::adaptive() const –> const class utility::vector1<bool, class std::allocator<bool> > &
-
adaptive_movers
(*args, **kwargs)¶ Overloaded function.
- adaptive_movers(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, a: bool) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::adaptive_movers(const bool) –> void
- adaptive_movers(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> bool
C++: protocols::simple_moves::GenericMonteCarloMover::adaptive_movers() const –> bool
-
add_filter
(*args, **kwargs)¶ Overloaded function.
- add_filter(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, filter: pyrosetta.rosetta.protocols.filters.Filter, adaptive: bool, temp: float, sample_type: str) -> None
- add_filter(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, filter: pyrosetta.rosetta.protocols.filters.Filter, adaptive: bool, temp: float, sample_type: str, rank_by: bool) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::add_filter(class std::shared_ptr<class protocols::filters::Filter>, const bool, const double, const class std::basic_string<char> &, bool) –> void
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ apply GenericSimulatedAnnealer (Mover)
C++: protocols::simple_moves::GenericSimulatedAnnealer::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, : pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer) → pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer¶ C++: protocols::simple_moves::GenericSimulatedAnnealer::operator=(const class protocols::simple_moves::GenericSimulatedAnnealer &) –> class protocols::simple_moves::GenericSimulatedAnnealer &
-
boltz_rank
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → bool¶ C++: protocols::simple_moves::GenericMonteCarloMover::boltz_rank() const –> bool
-
boltzmann
(*args, **kwargs)¶ Overloaded function.
- boltzmann(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, pose: pyrosetta.rosetta.core.pose.Pose) -> bool
core of MC
C++: protocols::simple_moves::GenericMonteCarloMover::boltzmann(class core::pose::Pose &) –> bool
- boltzmann(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, pose: pyrosetta.rosetta.core.pose.Pose, random_nums: pyrosetta.rosetta.utility.vector1_double) -> bool
core of MC – evaulates a pose based on the scores/filters + temperatures. random_num is a vector of random numbers between 0 and 1 with size equal to the number of MC criteria
C++: protocols::simple_moves::GenericMonteCarloMover::boltzmann(class core::pose::Pose &, const class utility::vector1<double, class std::allocator<double> > &) –> bool
-
boltzmann_result
(*args, **kwargs)¶ Overloaded function.
- boltzmann_result(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.protocols.simple_moves.TrialResult
- given a modified pose, determines whether we should accept or not, and updates internal class data accordingly
- uses randomly generated numbers to assess acceptance of scores with temperatures
C++: protocols::simple_moves::GenericSimulatedAnnealer::boltzmann_result(class core::pose::Pose &) –> enum protocols::simple_moves::TrialResult
- boltzmann_result(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, pose: pyrosetta.rosetta.core.pose.Pose, random_nums: pyrosetta.rosetta.utility.vector1_double) -> pyrosetta.rosetta.protocols.simple_moves.TrialResult
given a modified pose, determines whether we should accept or not, and updates internal class data accordingly
C++: protocols::simple_moves::GenericSimulatedAnnealer::boltzmann_result(class core::pose::Pose &, const class utility::vector1<double, class std::allocator<double> > &) –> enum protocols::simple_moves::TrialResult
-
calc_boltz_score
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, scores: pyrosetta.rosetta.utility.vector1_double) → float¶ if boltz_rank is used, this will calculate the ranking score from a list of filter scores
C++: protocols::simple_moves::GenericSimulatedAnnealer::calc_boltz_score(const class utility::vector1<double, class std::allocator<double> > &) const –> double
-
checkpoint_exists
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer) → bool¶ tests to see if the checkpoint files exist and have been generated
C++: protocols::simple_moves::GenericSimulatedAnnealer::checkpoint_exists() const –> bool
-
checkpoint_file
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, check_file: str) → None¶ set the checkpoint file name
C++: protocols::simple_moves::GenericSimulatedAnnealer::checkpoint_file(const class std::basic_string<char> &) –> void
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer) → pyrosetta.rosetta.protocols.moves.Mover¶ create copy constructor
C++: protocols::simple_moves::GenericSimulatedAnnealer::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
create_tag
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, suffix: str) → str¶ create a silent struct tag for checkpointing with the given suffix
C++: protocols::simple_moves::GenericSimulatedAnnealer::create_tag(const class std::basic_string<char> &) const –> std::string
-
current_score
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → float¶ return the lowest score
C++: protocols::simple_moves::GenericMonteCarloMover::current_score() const –> double
-
define_composition_schema
(: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → pyrosetta.rosetta.utility.tag.XMLSchemaComplexTypeGenerator¶ C++: protocols::simple_moves::GenericMonteCarloMover::define_composition_schema(class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
-
drift
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → bool¶ C++: protocols::simple_moves::GenericMonteCarloMover::drift() const –> bool
-
filters
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_filters_Filter_t¶ C++: protocols::simple_moves::GenericMonteCarloMover::filters() const –> const class utility::vector1<class std::shared_ptr<class protocols::filters::Filter>, class std::allocator<class std::shared_ptr<class protocols::filters::Filter> > > &
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer) → pyrosetta.rosetta.protocols.moves.Mover¶ create this type of objectt
C++: protocols::simple_moves::GenericSimulatedAnnealer::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer) → str¶ C++: protocols::simple_moves::GenericSimulatedAnnealer::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
initialize
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → None¶ initialize object used in constructor
C++: protocols::simple_moves::GenericMonteCarloMover::initialize() –> void
-
keep_checkpoint_file
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, keep_checkpoint: bool) → None¶ sets whether or not to delete checkpoint files when done – useful for debugging
C++: protocols::simple_moves::GenericSimulatedAnnealer::keep_checkpoint_file(const bool) –> void
-
keep_filters
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → bool¶ C++: protocols::simple_moves::GenericMonteCarloMover::keep_filters() const –> bool
-
last_accepted_pose
(*args, **kwargs)¶ Overloaded function.
- last_accepted_pose(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> pyrosetta.rosetta.core.pose.Pose
return the last accepted pose
C++: protocols::simple_moves::GenericMonteCarloMover::last_accepted_pose() const –> class std::shared_ptr<class core::pose::Pose>
- last_accepted_pose(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::last_accepted_pose(class std::shared_ptr<class core::pose::Pose>) –> void
-
last_accepted_score
(*args, **kwargs)¶ Overloaded function.
- last_accepted_score(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> float
return the last accepted score
C++: protocols::simple_moves::GenericMonteCarloMover::last_accepted_score() const –> double
- last_accepted_score(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, score: float) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::last_accepted_score(const double) –> void
-
last_accepted_scores
(*args, **kwargs)¶ Overloaded function.
- last_accepted_scores(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> pyrosetta.rosetta.utility.vector1_double
C++: protocols::simple_moves::GenericMonteCarloMover::last_accepted_scores() const –> const class utility::vector1<double, class std::allocator<double> > &
- last_accepted_scores(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, scores: pyrosetta.rosetta.utility.vector1_double) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::last_accepted_scores(const class utility::vector1<double, class std::allocator<double> > &) –> void
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
last_tested_scores
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → pyrosetta.rosetta.utility.vector1_double¶ C++: protocols::simple_moves::GenericMonteCarloMover::last_tested_scores() const –> const class utility::vector1<double, class std::allocator<double> > &
-
load_checkpoint_file
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ loads checkpoint data and attempts to resume a run with pose as the pose
C++: protocols::simple_moves::GenericSimulatedAnnealer::load_checkpoint_file(class core::pose::Pose &) –> void
-
load_trial_number_from_checkpoint
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, : pyrosetta.rosetta.core.pose.Pose) → int¶ C++: protocols::simple_moves::GenericMonteCarloMover::load_trial_number_from_checkpoint(class core::pose::Pose &) –> unsigned long
-
lowest_score
(*args, **kwargs)¶ Overloaded function.
- lowest_score(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> float
return the lowest score
C++: protocols::simple_moves::GenericMonteCarloMover::lowest_score() const –> double
- lowest_score(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, score: float) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::lowest_score(const double) –> void
-
lowest_score_pose
(*args, **kwargs)¶ Overloaded function.
- lowest_score_pose(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> pyrosetta.rosetta.core.pose.Pose
return the lowest score pose
C++: protocols::simple_moves::GenericMonteCarloMover::lowest_score_pose() const –> class std::shared_ptr<class core::pose::Pose>
- lowest_score_pose(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::lowest_score_pose(class std::shared_ptr<class core::pose::Pose>) –> void
-
lowest_scores
(*args, **kwargs)¶ Overloaded function.
- lowest_scores(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> pyrosetta.rosetta.utility.vector1_double
C++: protocols::simple_moves::GenericMonteCarloMover::lowest_scores() const –> const class utility::vector1<double, class std::allocator<double> > &
- lowest_scores(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, scores: pyrosetta.rosetta.utility.vector1_double) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::lowest_scores(const class utility::vector1<double, class std::allocator<double> > &) –> void
-
max_accepted_trials
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → int¶ Returns maximum number of accepted trials
C++: protocols::simple_moves::GenericMonteCarloMover::max_accepted_trials() const –> unsigned long
-
maxtrials
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → int¶ Returns maximum number of trials
C++: protocols::simple_moves::GenericMonteCarloMover::maxtrials() const –> unsigned long
-
mc_accpeted
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → pyrosetta.rosetta.protocols.moves.MCA¶ return mc_accepted
C++: protocols::simple_moves::GenericMonteCarloMover::mc_accpeted() const –> enum protocols::moves::MCA
-
mover
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::GenericMonteCarloMover::mover() const –> class std::shared_ptr<class protocols::moves::Mover>
-
mover_name
() → str¶ C++: protocols::simple_moves::GenericSimulatedAnnealer::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
num_accepted_scores
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer) → int¶ number of acceptances
C++: protocols::simple_moves::GenericSimulatedAnnealer::num_accepted_scores() const –> unsigned long
-
num_designable
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, pose: pyrosetta.rosetta.core.pose.Pose, task: pyrosetta.rosetta.core.pack.task.PackerTask) → int¶ C++: protocols::simple_moves::GenericMonteCarloMover::num_designable(class core::pose::Pose &, class std::shared_ptr<class core::pack::task::PackerTask> &) –> unsigned long
-
num_rejections
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ C++: protocols::simple_moves::GenericMonteCarloMover::num_rejections() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
-
num_triggers
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → int¶ Returns the number of triggers
C++: protocols::simple_moves::GenericMonteCarloMover::num_triggers() const –> unsigned long
-
preapply
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → bool¶ C++: protocols::simple_moves::GenericMonteCarloMover::preapply() const –> bool
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::GenericSimulatedAnnealer::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
recover_low
(*args, **kwargs)¶ Overloaded function.
- recover_low(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, pose: pyrosetta.rosetta.core.pose.Pose) -> None
return the simulation state to the lowest energy structure we’ve seen
C++: protocols::simple_moves::GenericMonteCarloMover::recover_low(class core::pose::Pose &) –> void
- recover_low(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> bool
C++: protocols::simple_moves::GenericMonteCarloMover::recover_low() const –> bool
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
remove_checkpoint_file
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer) → None¶ Deletes the checkpoint files
C++: protocols::simple_moves::GenericSimulatedAnnealer::remove_checkpoint_file() const –> void
-
remove_trigger
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, trigger_id: int) → None¶ Removes the trigger with the specified id
C++: protocols::simple_moves::GenericMonteCarloMover::remove_trigger(unsigned long) –> void
-
reset
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ Clears accepted data and initialize with new pose
C++: protocols::simple_moves::GenericSimulatedAnnealer::reset(class core::pose::Pose &) –> void
-
reset_baselines
(*args, **kwargs)¶ Overloaded function.
- reset_baselines(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, r: bool) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::reset_baselines(const bool) –> void
- reset_baselines(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> bool
C++: protocols::simple_moves::GenericMonteCarloMover::reset_baselines() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
sample_types
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → pyrosetta.rosetta.utility.vector1_std_string¶ C++: protocols::simple_moves::GenericMonteCarloMover::sample_types() const –> const class utility::vector1<std::string, class std::allocator<std::string > > &
-
save_checkpoint_file
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer) → None¶ Saves the current state of the mover into checkpoint files
C++: protocols::simple_moves::GenericSimulatedAnnealer::save_checkpoint_file() const –> void
-
save_trial_number_to_checkpoint
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, i: int) → None¶ C++: protocols::simple_moves::GenericMonteCarloMover::save_trial_number_to_checkpoint(const unsigned long) const –> void
-
saved_accept_file_name
(*args, **kwargs)¶ Overloaded function.
- saved_accept_file_name(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> str
C++: protocols::simple_moves::GenericMonteCarloMover::saved_accept_file_name() const –> std::string
- saved_accept_file_name(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, : str) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::saved_accept_file_name(const class std::basic_string<char>) –> void
-
saved_trial_number_file
(*args, **kwargs)¶ Overloaded function.
- saved_trial_number_file(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> str
C++: protocols::simple_moves::GenericMonteCarloMover::saved_trial_number_file() const –> std::string
- saved_trial_number_file(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, : str) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::saved_trial_number_file(const class std::basic_string<char>) –> void
-
scale_temperatures
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, temp_factor: float) → None¶ scales temperatures by the factor provided
C++: protocols::simple_moves::GenericSimulatedAnnealer::scale_temperatures(const double) –> void
-
score_function
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → pyrosetta.rosetta.core.scoring.ScoreFunction¶ Return the score function in use
C++: protocols::simple_moves::GenericMonteCarloMover::score_function() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
-
score_pose
(self: pyrosetta.rosetta.protocols.simple_moves.GenericSimulatedAnnealer, pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.protocols.simple_moves.AcceptedScores¶ given a pose, score the result
C++: protocols::simple_moves::GenericSimulatedAnnealer::score_pose(const class core::pose::Pose &) const –> class protocols::simple_moves::AcceptedScores
-
scorefxn
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → pyrosetta.rosetta.core.scoring.ScoreFunction¶ C++: protocols::simple_moves::GenericMonteCarloMover::scorefxn() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
-
set_boltz_rank
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, boltz_rank: bool) → None¶ - if boltz_rank=true, rank structures by the temperature-weighted
sum of scores, rather than a single filter
The score used here is the effective combined energy function that the Monte Carlo sampler is sampling over.
C++: protocols::simple_moves::GenericMonteCarloMover::set_boltz_rank(const bool) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_drift
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, drift: bool) → None¶ - if drift=false, the pose is set back to the initial pose at each MC trial
- Of course, this is not MC sampling.
C++: protocols::simple_moves::GenericMonteCarloMover::set_drift(const bool) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_keep_filters
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, k: bool) → None¶ C++: protocols::simple_moves::GenericMonteCarloMover::set_keep_filters(const bool) –> void
-
set_max_accepted_trials
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, n_max_accepted_trial: int) → None¶ set max accepted trials of MC trials
C++: protocols::simple_moves::GenericMonteCarloMover::set_max_accepted_trials(const unsigned long) –> void
-
set_maxtrials
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, ntrial: int) → None¶ set max trials of MC trials
C++: protocols::simple_moves::GenericMonteCarloMover::set_maxtrials(const unsigned long) –> void
-
set_mover
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, mover: pyrosetta.rosetta.protocols.moves.Mover) → None¶ set mover
C++: protocols::simple_moves::GenericMonteCarloMover::set_mover(class std::shared_ptr<class protocols::moves::Mover>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_preapply
(*args, **kwargs)¶ Overloaded function.
- set_preapply(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> None
- set_preapply(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, preapply: bool) -> None
- if preapply=true, auto-accept the first application of the submover,
- ignoring boltzman criteria.
C++: protocols::simple_moves::GenericMonteCarloMover::set_preapply(const bool) –> void
-
set_recover_low
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, recover_low: bool) → None¶ - if recover_low=true, after apply() the structure
- is the lowest energy structure, rather than the last accepted structure.
C++: protocols::simple_moves::GenericMonteCarloMover::set_recover_low(const bool) –> void
-
set_sampletype
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, type: str) → None¶ - set sample type, max or min
- when sample_type == max, sample pose which have higher score when sample_type == min, sample pose which have lower score
C++: protocols::simple_moves::GenericMonteCarloMover::set_sampletype(const class std::basic_string<char> &) –> void
-
set_scorefxn
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ Pose is evaluated by ScoreFunctionOP during MC trials
C++: protocols::simple_moves::GenericMonteCarloMover::set_scorefxn(const class std::shared_ptr<class core::scoring::ScoreFunction> &) –> void
-
set_stop_sampling
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, stop_sampling: bool) → None¶ if set to true, the MC mover will stop sampling
C++: protocols::simple_moves::GenericMonteCarloMover::set_stop_sampling(const bool) –> void
-
set_task_scaling
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, scaling: int) → None¶ set task multiplier to calculate trials from task
C++: protocols::simple_moves::GenericMonteCarloMover::set_task_scaling(const unsigned long) –> void
-
set_temperature
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, temp: float) → None¶ set temperature
C++: protocols::simple_moves::GenericMonteCarloMover::set_temperature(const double) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
show_counters
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, out: pyrosetta.rosetta.std.ostream) → None¶ show counters of ntrial and acceptance ratio
C++: protocols::simple_moves::GenericMonteCarloMover::show_counters(class std::basic_ostream<char> &) const –> void
-
show_scores
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, out: pyrosetta.rosetta.std.ostream) → None¶ show scores of last_accepted_score and “best_score” ( = flip_sign_ * lowest_score )
C++: protocols::simple_moves::GenericMonteCarloMover::show_scores(class std::basic_ostream<char> &) const –> void
-
stop_sampling
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → bool¶ C++: protocols::simple_moves::GenericMonteCarloMover::stop_sampling() const –> bool
-
stopping_condition
(*args, **kwargs)¶ Overloaded function.
- stopping_condition(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, filter: pyrosetta.rosetta.protocols.filters.Filter) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::stopping_condition(class std::shared_ptr<class protocols::filters::Filter>) –> void
- stopping_condition(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> pyrosetta.rosetta.protocols.filters.Filter
C++: protocols::simple_moves::GenericMonteCarloMover::stopping_condition() const –> class std::shared_ptr<class protocols::filters::Filter>
-
task_factory
(*args, **kwargs)¶ Overloaded function.
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, tf: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::task_factory(class std::shared_ptr<class core::pack::task::TaskFactory>) –> void
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> pyrosetta.rosetta.core.pack.task.TaskFactory
C++: protocols::simple_moves::GenericMonteCarloMover::task_factory() const –> class std::shared_ptr<class core::pack::task::TaskFactory>
-
task_scaling
(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) → int¶ Returns the task scaling value
C++: protocols::simple_moves::GenericMonteCarloMover::task_scaling() const –> unsigned long
-
temperatures
(*args, **kwargs)¶ Overloaded function.
- temperatures(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> pyrosetta.rosetta.utility.vector1_double
C++: protocols::simple_moves::GenericMonteCarloMover::temperatures() const –> class utility::vector1<double, class std::allocator<double> >
- temperatures(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, temps: pyrosetta.rosetta.utility.vector1_double) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::temperatures(const class utility::vector1<double, class std::allocator<double> > &) –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
trial_counter
(*args, **kwargs)¶ Overloaded function.
- trial_counter(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover) -> int
C++: protocols::simple_moves::GenericMonteCarloMover::trial_counter() const –> unsigned long
- trial_counter(self: pyrosetta.rosetta.protocols.simple_moves.GenericMonteCarloMover, i: int) -> None
C++: protocols::simple_moves::GenericMonteCarloMover::trial_counter(const unsigned long) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
GroupDiscriminator
¶ Bases:
pybind11_builtins.pybind11_object
Interface class used to break a pose down into a set of component “groups” where intra-group rotamer-pair energies are preserved between calls to the GreenPacker. E.g. in rigid-body docking between two proteins, chains 1 and 2 define groups 1 and 2. In rigid-body docking between two domains of the same chain, those residues upstream of jump 1 define group 1, and those downstream of jump 1 define group 2. In loop modelling, the static background is group 1, and the loop itself is group 0, since loop residues will have their bb dofs change regularly between repackings.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(self: pyrosetta.rosetta.protocols.simple_moves.GroupDiscriminator) → None¶
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.GroupDiscriminator, : pyrosetta.rosetta.protocols.simple_moves.GroupDiscriminator) → pyrosetta.rosetta.protocols.simple_moves.GroupDiscriminator¶ C++: protocols::simple_moves::GroupDiscriminator::operator=(const class protocols::simple_moves::GroupDiscriminator &) –> class protocols::simple_moves::GroupDiscriminator &
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.GroupDiscriminator) → pyrosetta.rosetta.protocols.simple_moves.GroupDiscriminator¶ C++: protocols::simple_moves::GroupDiscriminator::clone() const –> class std::shared_ptr<class protocols::simple_moves::GroupDiscriminator>
-
group_id
(self: pyrosetta.rosetta.protocols.simple_moves.GroupDiscriminator, pose: pyrosetta.rosetta.core.pose.Pose, seqpos: int) → int¶ C++: protocols::simple_moves::GroupDiscriminator::group_id(const class core::pose::Pose &, unsigned long) const –> unsigned long
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
LoadUnboundRotMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
This BS class exists to route around a hard-coded pseudo-Mover in the APPLY_TO_POSE section of the Parser. At XRW2 we needed to move junk out of Parser to use the protocols::moves::MoverFactory instead.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.LoadUnboundRotMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.LoadUnboundRotMover, arg0: pyrosetta.rosetta.protocols.simple_moves.LoadUnboundRotMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.LoadUnboundRotMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::LoadUnboundRotMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.LoadUnboundRotMover, : pyrosetta.rosetta.protocols.simple_moves.LoadUnboundRotMover) → pyrosetta.rosetta.protocols.simple_moves.LoadUnboundRotMover¶ C++: protocols::simple_moves::LoadUnboundRotMover::operator=(const class protocols::simple_moves::LoadUnboundRotMover &) –> class protocols::simple_moves::LoadUnboundRotMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.LoadUnboundRotMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::LoadUnboundRotMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.LoadUnboundRotMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::LoadUnboundRotMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.LoadUnboundRotMover) → str¶ C++: protocols::simple_moves::LoadUnboundRotMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::LoadUnboundRotMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::LoadUnboundRotMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
MembraneTopology
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A mover to change one torsion angle
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MembraneTopology) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MembraneTopology, arg0: pyrosetta.rosetta.protocols.simple_moves.MembraneTopology) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.MembraneTopology, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::MembraneTopology::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.MembraneTopology, : pyrosetta.rosetta.protocols.simple_moves.MembraneTopology) → pyrosetta.rosetta.protocols.simple_moves.MembraneTopology¶ C++: protocols::simple_moves::MembraneTopology::operator=(const class protocols::simple_moves::MembraneTopology &) –> class protocols::simple_moves::MembraneTopology &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.MembraneTopology) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::MembraneTopology::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.MembraneTopology) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::MembraneTopology::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.MembraneTopology) → str¶ C++: protocols::simple_moves::MembraneTopology::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::MembraneTopology::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::MembraneTopology::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
span_file
(*args, **kwargs)¶ Overloaded function.
- span_file(self: pyrosetta.rosetta.protocols.simple_moves.MembraneTopology) -> str
C++: protocols::simple_moves::MembraneTopology::span_file() const –> std::string
- span_file(self: pyrosetta.rosetta.protocols.simple_moves.MembraneTopology, s: str) -> None
C++: protocols::simple_moves::MembraneTopology::span_file(const class std::basic_string<char> &) –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
MinMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.MoveMapMover
A protocols::moves::Mover that minimizes a Pose to a local energy minimum by performing energy minimization of a ScoreFunction over the allowable degrees of freedom, defined by a MoveMap. The minimization type, minimization tolerance, and various other options can be also be set.
- Common Methods:
- MinMover.apply MinMover.movemap MinMover.score_function
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, : str) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, arg0: pyrosetta.rosetta.core.kinematics.MoveMap, arg1: pyrosetta.rosetta.core.scoring.ScoreFunction, arg2: str, arg3: float, arg4: bool) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, arg0: pyrosetta.rosetta.core.kinematics.MoveMap, arg1: pyrosetta.rosetta.core.scoring.ScoreFunction, arg2: str, arg3: float, arg4: bool, arg5: bool) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, movemap_in: pyrosetta.rosetta.core.kinematics.MoveMap, scorefxn_in: pyrosetta.rosetta.core.scoring.ScoreFunction, min_type_in: str, tolerance_in: float, use_nb_list_in: bool, deriv_check_in: bool, deriv_check_verbose_in: bool) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, arg0: pyrosetta.rosetta.protocols.simple_moves.MinMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
abs_score_convergence_threshold
(*args, **kwargs)¶ Overloaded function.
- abs_score_convergence_threshold(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, newval: float) -> None
C++: protocols::simple_moves::MinMover::abs_score_convergence_threshold(double) –> void
- abs_score_convergence_threshold(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) -> float
C++: protocols::simple_moves::MinMover::abs_score_convergence_threshold() const –> double
-
abs_score_diff_after_minimization
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) → float¶ C++: protocols::simple_moves::MinMover::abs_score_diff_after_minimization() const –> double
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - Minimizes the DOFs of <pose_> specified in the MoveMap
using the ScoreFunction
- example(s):
- minmover.apply(pose)
- See also:
- MinMover MinMover.movemap MinMover.score_function
C++: protocols::simple_moves::MinMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, : pyrosetta.rosetta.protocols.simple_moves.MinMover) → pyrosetta.rosetta.protocols.simple_moves.MinMover¶ C++: protocols::simple_moves::MinMover::operator=(const class protocols::simple_moves::MinMover &) –> class protocols::simple_moves::MinMover &
-
cartesian
(*args, **kwargs)¶ Overloaded function.
- cartesian(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, newval: bool) -> None
C++: protocols::simple_moves::MinMover::cartesian(bool) –> void
- cartesian(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) -> bool
C++: protocols::simple_moves::MinMover::cartesian() const –> bool
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::MinMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
complex_type_generator_for_min_mover
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → pyrosetta.rosetta.utility.tag.XMLSchemaComplexTypeGenerator¶ C++: protocols::simple_moves::MinMover::complex_type_generator_for_min_mover(class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
deriv_check
(*args, **kwargs)¶ Overloaded function.
- deriv_check(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, deriv_check_in: bool) -> None
C++: protocols::simple_moves::MinMover::deriv_check(bool) –> void
- deriv_check(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) -> bool
C++: protocols::simple_moves::MinMover::deriv_check() const –> bool
-
explicitly_set_movemap
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) → pyrosetta.rosetta.core.kinematics.MoveMap¶ - Get the explicitly set movemap object, if present, nullptr if not
- Will not create a default or look at the MoveMapFactory
C++: protocols::simple_moves::MinMover::explicitly_set_movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::MinMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) → str¶ C++: protocols::simple_moves::MinMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
initialize
(self: pyrosetta.rosetta.protocols.moves.MoveMapMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::moves::MoveMapMover::initialize(class core::pose::Pose &) –> void
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
max_iter
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, max_iter_in: int) → None¶ C++: protocols::simple_moves::MinMover::max_iter(unsigned long) –> void
-
min_options
(*args, **kwargs)¶ Overloaded function.
- min_options(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) -> pyrosetta.rosetta.core.optimization.MinimizerOptions
allow non-const access to the internal minimizer options object
C++: protocols::simple_moves::MinMover::min_options() –> class std::shared_ptr<class core::optimization::MinimizerOptions>
- min_options(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, min_options: pyrosetta.rosetta.core.optimization.MinimizerOptions) -> None
directly set the internal minimizer options object
C++: protocols::simple_moves::MinMover::min_options(class std::shared_ptr<class core::optimization::MinimizerOptions>) –> void
-
min_type
(*args, **kwargs)¶ Overloaded function.
- min_type(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, min_type_in: str) -> None
C++: protocols::simple_moves::MinMover::min_type(class std::basic_string<char>) –> void
- min_type(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) -> str
C++: protocols::simple_moves::MinMover::min_type() const –> std::string
-
movemap
(*args, **kwargs)¶ Overloaded function.
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, movemap_in: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
- Sets the MoveMap to <movemap_in>
determines which DOF to minimize
- example(s):
- minmover.movemap(movemap1)
- See also:
- MinMover MinMover.apply MinMover.score_function MoveMap
C++: protocols::simple_moves::MinMover::movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.kinematics.MoveMap
Get the movemap for the pose
This is the preferred version to call.C++: protocols::simple_moves::MinMover::movemap(const class core::pose::Pose &) const –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
movemap_factory
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, mmf: pyrosetta.rosetta.core.select.movemap.MoveMapFactory) → None¶ - Sets the MoveMapFactory
- The MoveMapFactory will be used to construct a MoveMap if an explicit one isn’t set
C++: protocols::simple_moves::MinMover::movemap_factory(class std::shared_ptr<const class core::select::movemap::MoveMapFactory>) –> void
-
mover_name
() → str¶ C++: protocols::simple_moves::MinMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
nb_list
(*args, **kwargs)¶ Overloaded function.
- nb_list(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, nb_list_in: bool) -> None
core::optimization::MinimizerOptions::use_nblist(bool)
C++: protocols::simple_moves::MinMover::nb_list(bool) –> void
- nb_list(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) -> bool
core::optimization::MinimizerOptions::use_nblist()
C++: protocols::simple_moves::MinMover::nb_list() const –> bool
-
omega
(*args, **kwargs)¶ Overloaded function.
- omega(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) -> bool
C++: protocols::simple_moves::MinMover::omega() const –> bool
- omega(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, b: bool) -> None
C++: protocols::simple_moves::MinMover::omega(const bool) –> void
-
parse_dof_task_type
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, tag_name: str, dof_type: pyrosetta.rosetta.core.id.DOF_Type, torsion_type: pyrosetta.rosetta.core.id.TorsionType, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) → None¶ C++: protocols::simple_moves::MinMover::parse_dof_task_type(const class std::basic_string<char> &, enum core::id::DOF_Type, enum core::id::TorsionType, class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
-
parse_dof_tasks
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) → None¶ C++: protocols::simple_moves::MinMover::parse_dof_tasks(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
-
parse_movemap_factory
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) → None¶ C++: protocols::simple_moves::MinMover::parse_movemap_factory(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::MinMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
score_diff_after_minimization
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) → float¶ C++: protocols::simple_moves::MinMover::score_diff_after_minimization() const –> double
-
score_function
(*args, **kwargs)¶ Overloaded function.
- score_function(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, scorefxn_in: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
- Sets the ScoreFunction to <scorefxn_in>
determines which function to minimize
- example(s):
- minmover.score_function(scorefxn)
- See also:
- MinMover MinMover.apply MinMover.movemap ScoreFunction
C++: protocols::simple_moves::MinMover::score_function(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
- score_function(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
C++: protocols::simple_moves::MinMover::score_function() const –> class std::shared_ptr<const class core::scoring::ScoreFunction>
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_movemap
(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, movemap_in: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ C++: protocols::simple_moves::MinMover::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::MinMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
tolerance
(*args, **kwargs)¶ Overloaded function.
- tolerance(self: pyrosetta.rosetta.protocols.simple_moves.MinMover, tolerance_in: float) -> None
C++: protocols::simple_moves::MinMover::tolerance(double) –> void
- tolerance(self: pyrosetta.rosetta.protocols.simple_moves.MinMover) -> float
C++: protocols::simple_moves::MinMover::tolerance() const –> double
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
class
pyrosetta.rosetta.protocols.simple_moves.
MinPackMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
a mover that packs and minimizes the side-chains. It uses a ScoreFunction for packing and either a PackerTask, or a TaskFactory that generates a PackerTask for instructions on what rotamer sets are allowed at each residue position during packing.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover, : str) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, task: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover, arg0: pyrosetta.rosetta.protocols.simple_moves.MinPackMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::MinPackMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover, : pyrosetta.rosetta.protocols.simple_moves.MinPackMover) → pyrosetta.rosetta.protocols.simple_moves.MinPackMover¶ C++: protocols::simple_moves::MinPackMover::operator=(const class protocols::simple_moves::MinPackMover &) –> class protocols::simple_moves::MinPackMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::MinPackMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::MinPackMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover) → str¶ C++: protocols::simple_moves::MinPackMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
init
(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover) → None¶ C++: protocols::simple_moves::MinPackMover::init() –> void
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::MinPackMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
off_rotamer_pack
(*args, **kwargs)¶ Overloaded function.
- off_rotamer_pack(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover, : bool) -> None
C++: protocols::simple_moves::MinPackMover::off_rotamer_pack(bool) –> void
- off_rotamer_pack(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover) -> bool
C++: protocols::simple_moves::MinPackMover::off_rotamer_pack() const –> bool
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::MinPackMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
score_function
(*args, **kwargs)¶ Overloaded function.
- score_function(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover, sf: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
C++: protocols::simple_moves::MinPackMover::score_function(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
- score_function(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
C++: protocols::simple_moves::MinPackMover::score_function() const –> class std::shared_ptr<const class core::scoring::ScoreFunction>
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
task
(*args, **kwargs)¶ Overloaded function.
- task(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover, t: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
C++: protocols::simple_moves::MinPackMover::task(class std::shared_ptr<const class core::pack::task::PackerTask>) –> void
- task(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover) -> pyrosetta.rosetta.core.pack.task.PackerTask
C++: protocols::simple_moves::MinPackMover::task() const –> class std::shared_ptr<const class core::pack::task::PackerTask>
-
task_factory
(*args, **kwargs)¶ Overloaded function.
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover, tf: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None
C++: protocols::simple_moves::MinPackMover::task_factory(class std::shared_ptr<const class core::pack::task::TaskFactory>) –> void
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover) -> pyrosetta.rosetta.core.pack.task.TaskFactory
C++: protocols::simple_moves::MinPackMover::task_factory() const –> class std::shared_ptr<const class core::pack::task::TaskFactory>
-
task_is_valid
(self: pyrosetta.rosetta.protocols.simple_moves.MinPackMover, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶ C++: protocols::simple_moves::MinPackMover::task_is_valid(const class core::pose::Pose &) const –> bool
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
ModifyVariantTypeMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Adds variant types to selected residues
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover, arg0: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::ModifyVariantTypeMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover, : pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover) → pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover¶ C++: protocols::simple_moves::ModifyVariantTypeMover::operator=(const class protocols::simple_moves::ModifyVariantTypeMover &) –> class protocols::simple_moves::ModifyVariantTypeMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ModifyVariantTypeMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ModifyVariantTypeMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover) → str¶ C++: protocols::simple_moves::ModifyVariantTypeMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::ModifyVariantTypeMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::ModifyVariantTypeMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
residue_selector
(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover) → pyrosetta.rosetta.core.select.residue_selector.ResidueSelector¶ Get the ResidueSelector used by this mover.
C++: protocols::simple_moves::ModifyVariantTypeMover::residue_selector() const –> class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>
-
set_add_target_types
(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover, types_in: pyrosetta.rosetta.utility.vector1_std_string) → None¶ Set the types to add.
Vikram K. Mulligan (vmullig.edu).C++: protocols::simple_moves::ModifyVariantTypeMover::set_add_target_types(const class utility::vector1<class std::basic_string<char>, class std::allocator<class std::basic_string<char> > > &) –> void
-
set_additional_type_to_add
(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover, type_in: str) → None¶ Append a single type to the list to add.
Vikram K. Mulligan (vmullig.edu).C++: protocols::simple_moves::ModifyVariantTypeMover::set_additional_type_to_add(const class std::basic_string<char> &) –> void
-
set_additional_type_to_remove
(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover, type_in: str) → None¶ Append a single type to the list to remove.
Vikram K. Mulligan (vmullig.edu).C++: protocols::simple_moves::ModifyVariantTypeMover::set_additional_type_to_remove(const class std::basic_string<char> &) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_remove_target_types
(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover, types_in: pyrosetta.rosetta.utility.vector1_std_string) → None¶ Set the types to remove.
Vikram K. Mulligan (vmullig.edu).C++: protocols::simple_moves::ModifyVariantTypeMover::set_remove_target_types(const class utility::vector1<class std::basic_string<char>, class std::allocator<class std::basic_string<char> > > &) –> void
-
set_residue_selector
(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover, selector_in: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ Set the ResidueSelector used by this mover.
C++: protocols::simple_moves::ModifyVariantTypeMover::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
set_update_polymer_bond_dependent_atoms
(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover, setting: bool) → None¶ Set whether polymer bond-dependent atoms should be updated after updating variant types.
Defaults to true. Set this to false to preserve polymer bond-dependent atom positions.
Vikram K. Mulligan (vmullig.edu).
C++: protocols::simple_moves::ModifyVariantTypeMover::set_update_polymer_bond_dependent_atoms(const bool) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
update_polymer_bond_dependent_atoms
(self: pyrosetta.rosetta.protocols.simple_moves.ModifyVariantTypeMover) → bool¶ Get whether polymer bond-dependent atoms should be updated after updating variant types.
Vikram K. Mulligan (vmullig.edu).C++: protocols::simple_moves::ModifyVariantTypeMover::update_polymer_bond_dependent_atoms() const –> bool
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
MutateResidue
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A mover to mutate a single residue
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, arg0: pyrosetta.rosetta.protocols.simple_moves.MutateResidue) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, target: int, new_res: str) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, target: int, new_res: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, target: int, aa: pyrosetta.rosetta.core.chemical.AA) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::MutateResidue::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, : pyrosetta.rosetta.protocols.simple_moves.MutateResidue) → pyrosetta.rosetta.protocols.simple_moves.MutateResidue¶ C++: protocols::simple_moves::MutateResidue::operator=(const class protocols::simple_moves::MutateResidue &) –> class protocols::simple_moves::MutateResidue &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::MutateResidue::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::MutateResidue::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue) → str¶ C++: protocols::simple_moves::MutateResidue::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
make_mutation
(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, : pyrosetta.rosetta.core.pose.Pose, : int) → None¶ C++: protocols::simple_moves::MutateResidue::make_mutation(class core::pose::Pose &, unsigned long) –> void
-
mover_name
() → str¶ C++: protocols::simple_moves::MutateResidue::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
preserve_atom_coords
(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue) → bool¶ Get whether the mover should try to preserve atoms’ xyz coordinates or not.
Vikram K. Mulligan (vmullig.edu)C++: protocols::simple_moves::MutateResidue::preserve_atom_coords() –> bool
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::MutateResidue::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
res_name
(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue) → str¶ Get the residue to mutate to.
This is the full name, not the three-letter code.
Vikram K. Mulligan (vmullig.edu)
C++: protocols::simple_moves::MutateResidue::res_name() –> std::string
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_preserve_atom_coords
(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, val: bool) → None¶ Set whether the mover should try to preserve atoms’ xyz coordinates or not.
Vikram K. Mulligan (vmullig.edu)C++: protocols::simple_moves::MutateResidue::set_preserve_atom_coords(const bool) –> void
-
set_res_name
(*args, **kwargs)¶ Overloaded function.
- set_res_name(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, name_in: str) -> None
Set the residue to mutate to.
This is the full name, not the three-letter code.
Vikram K. Mulligan (vmullig.edu)
C++: protocols::simple_moves::MutateResidue::set_res_name(const class std::basic_string<char> &) –> void
- set_res_name(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, aa: pyrosetta.rosetta.core.chemical.AA) -> None
C++: protocols::simple_moves::MutateResidue::set_res_name(const enum core::chemical::AA &) –> void
-
set_selector
(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, selector_in: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ Set a selector if specified by the user
C++: protocols::simple_moves::MutateResidue::set_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_target
(*args, **kwargs)¶ Overloaded function.
- set_target(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, target_in: str) -> None
Set this mover’s target residue index.
Vikram K. Mulligan (vmullig.edu)C++: protocols::simple_moves::MutateResidue::set_target(const class std::basic_string<char> &) –> void
- set_target(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, target_in: int) -> None
Set this mover’s target residue index, based on the Rosetta indexing.
C++: protocols::simple_moves::MutateResidue::set_target(const unsigned long) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
set_update_polymer_dependent
(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue, setting: bool) → None¶ Set whether this mover updates polymer-dependent atoms in the residue that it mutates.
Vikram K. Mulligan (vmullig.edu)C++: protocols::simple_moves::MutateResidue::set_update_polymer_dependent(const bool) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
target
(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue) → str¶ Get this mover’s target residue index.
Vikram K. Mulligan (vmullig.edu)C++: protocols::simple_moves::MutateResidue::target() const –> std::string
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
update_polymer_dependent
(self: pyrosetta.rosetta.protocols.simple_moves.MutateResidue) → bool¶ Set whether this mover updates polymer-dependent atoms in the residue that it mutates.
Vikram K. Mulligan (vmullig.edu)C++: protocols::simple_moves::MutateResidue::update_polymer_dependent() const –> bool
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
PackRotamersMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A protocols::moves::Mover that packs the side-chains using a rotamer library It uses a ScoreFunction for packing and a PackerTask, or a TaskFactory that generates a PackerTask, for instructions on what rotamer sets are allowed at each residue position during packing
- Common Methods:
- PackRotamersMover.apply
please derive from PackRotamersMover instead of attempting to add protocol-specific stuff here!
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, options: pyrosetta.rosetta.utility.options.OptionCollection) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, : str) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, arg0: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, arg0: pyrosetta.rosetta.core.scoring.ScoreFunction, arg1: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, task: pyrosetta.rosetta.core.pack.task.PackerTask, nloop: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, arg0: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - Performs side-chain packing based on the input PackerTask
using the input ScoreFunction
- example(s):
- packmover.apply(pose)
- See Also:
- PackerTask ScoreFunction
C++: protocols::simple_moves::PackRotamersMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, : pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) → pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover¶ C++: protocols::simple_moves::PackRotamersMover::operator=(const class protocols::simple_moves::PackRotamersMover &) –> class protocols::simple_moves::PackRotamersMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::PackRotamersMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
complex_type_generator_for_pack_rotamers_mover
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → pyrosetta.rosetta.utility.tag.XMLSchemaComplexTypeGenerator¶ C++: protocols::simple_moves::PackRotamersMover::complex_type_generator_for_pack_rotamers_mover(class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::PackRotamersMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) → str¶ C++: protocols::simple_moves::PackRotamersMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
ig
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) → pyrosetta.rosetta.core.pack.interaction_graph.AnnealableGraphBase¶ C++: protocols::simple_moves::PackRotamersMover::ig() const –> class std::shared_ptr<const class core::pack::interaction_graph::AnnealableGraphBase>
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::PackRotamersMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
nloop
(*args, **kwargs)¶ Overloaded function.
- nloop(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, nloop_in: int) -> None
C++: protocols::simple_moves::PackRotamersMover::nloop(unsigned long) –> void
- nloop(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) -> int
C++: protocols::simple_moves::PackRotamersMover::nloop() const –> unsigned long
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::PackRotamersMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
rotamer_sets
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) → pyrosetta.rosetta.core.pack.rotamer_set.RotamerSets¶ C++: protocols::simple_moves::PackRotamersMover::rotamer_sets() const –> class std::shared_ptr<const class core::pack::rotamer_set::RotamerSets>
-
score_function
(*args, **kwargs)¶ Overloaded function.
- score_function(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, sf: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
Sets the ScoreFunction to <sf>
- example(s):
- packmover.score_function(scorefxn)
- See Also:
- PackRotamersMover PackRotamersMover.task
C++: protocols::simple_moves::PackRotamersMover::score_function(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
- score_function(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
Returns the ScoreFunction
- example(s):
- packmover.score_function()
- See Also:
- PackRotamersMover PackRotamersMover.task
C++: protocols::simple_moves::PackRotamersMover::score_function() const –> class std::shared_ptr<const class core::scoring::ScoreFunction>
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::PackRotamersMover::show(class std::basic_ostream<char> &) const –> void
-
task
(*args, **kwargs)¶ Overloaded function.
- task(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, t: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
Sets the PackerTask to <t>
- example(s):
- packmover.task(task_pack)
- See Also:
- PackRotamersMover PackRotamersMover.task_factory
C++: protocols::simple_moves::PackRotamersMover::task(class std::shared_ptr<const class core::pack::task::PackerTask>) –> void
- task(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) -> pyrosetta.rosetta.core.pack.task.PackerTask
Returns the PackerTask
- example(s):
- packmover.task()
- See Also:
- PackRotamersMover PackRotamersMover.task_factory
C++: protocols::simple_moves::PackRotamersMover::task() const –> class std::shared_ptr<const class core::pack::task::PackerTask>
-
task_factory
(*args, **kwargs)¶ Overloaded function.
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, tf: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None
Sets the TaskFactory to <tf>
- example(s):
- packmover.task_factory(task_design)
- See Also:
- PackRotamersMover PackRotamersMover.task
C++: protocols::simple_moves::PackRotamersMover::task_factory(class std::shared_ptr<const class core::pack::task::TaskFactory>) –> void
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) -> pyrosetta.rosetta.core.pack.task.TaskFactory
Returns the TaskFactory
- example(s):
- packmover.task_factory()
- See Also:
- PackRotamersMover PackRotamersMover.task
C++: protocols::simple_moves::PackRotamersMover::task_factory() const –> class std::shared_ptr<const class core::pack::task::TaskFactory>
-
task_is_valid
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶ C++: protocols::simple_moves::PackRotamersMover::task_is_valid(const class core::pose::Pose &) const –> bool
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
class
pyrosetta.rosetta.protocols.simple_moves.
PackRotamersMoverLazy
¶ Bases:
pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover
a mover that packs the side-chains using a rotamer library in a lazy fashion.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMoverLazy, arg0: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMoverLazy, arg0: pyrosetta.rosetta.core.scoring.ScoreFunction, arg1: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMoverLazy, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, task: pyrosetta.rosetta.core.pack.task.PackerTask, nloop: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMoverLazy) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMoverLazy, arg0: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMoverLazy) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - Performs side-chain packing based on the input PackerTask
using the input ScoreFunction
- example(s):
- packmover.apply(pose)
- See Also:
- PackerTask ScoreFunction
C++: protocols::simple_moves::PackRotamersMover::apply(class core::pose::Pose &) –> void
-
apply_to_rotpack
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMoverLazy, pose: pyrosetta.rosetta.core.pose.Pose, rot_to_pack: pyrosetta.rosetta.utility.vector0_int) → None¶ C++: protocols::simple_moves::PackRotamersMoverLazy::apply_to_rotpack(class core::pose::Pose &, class utility::vector0<int, class std::allocator<int> >) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMoverLazy, : pyrosetta.rosetta.protocols.simple_moves.PackRotamersMoverLazy) → pyrosetta.rosetta.protocols.simple_moves.PackRotamersMoverLazy¶ C++: protocols::simple_moves::PackRotamersMoverLazy::operator=(const class protocols::simple_moves::PackRotamersMoverLazy &) –> class protocols::simple_moves::PackRotamersMoverLazy &
-
call_setup
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMoverLazy, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::PackRotamersMoverLazy::call_setup(class core::pose::Pose &) –> void
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::PackRotamersMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
complex_type_generator_for_pack_rotamers_mover
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → pyrosetta.rosetta.utility.tag.XMLSchemaComplexTypeGenerator¶ C++: protocols::simple_moves::PackRotamersMover::complex_type_generator_for_pack_rotamers_mover(class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::PackRotamersMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) → str¶ C++: protocols::simple_moves::PackRotamersMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
ig
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) → pyrosetta.rosetta.core.pack.interaction_graph.AnnealableGraphBase¶ C++: protocols::simple_moves::PackRotamersMover::ig() const –> class std::shared_ptr<const class core::pack::interaction_graph::AnnealableGraphBase>
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::PackRotamersMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
nloop
(*args, **kwargs)¶ Overloaded function.
- nloop(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, nloop_in: int) -> None
C++: protocols::simple_moves::PackRotamersMover::nloop(unsigned long) –> void
- nloop(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) -> int
C++: protocols::simple_moves::PackRotamersMover::nloop() const –> unsigned long
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::PackRotamersMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
rotamer_sets
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) → pyrosetta.rosetta.core.pack.rotamer_set.RotamerSets¶ C++: protocols::simple_moves::PackRotamersMover::rotamer_sets() const –> class std::shared_ptr<const class core::pack::rotamer_set::RotamerSets>
-
score_function
(*args, **kwargs)¶ Overloaded function.
- score_function(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, sf: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
Sets the ScoreFunction to <sf>
- example(s):
- packmover.score_function(scorefxn)
- See Also:
- PackRotamersMover PackRotamersMover.task
C++: protocols::simple_moves::PackRotamersMover::score_function(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
- score_function(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
Returns the ScoreFunction
- example(s):
- packmover.score_function()
- See Also:
- PackRotamersMover PackRotamersMover.task
C++: protocols::simple_moves::PackRotamersMover::score_function() const –> class std::shared_ptr<const class core::scoring::ScoreFunction>
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::PackRotamersMover::show(class std::basic_ostream<char> &) const –> void
-
task
(*args, **kwargs)¶ Overloaded function.
- task(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, t: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
Sets the PackerTask to <t>
- example(s):
- packmover.task(task_pack)
- See Also:
- PackRotamersMover PackRotamersMover.task_factory
C++: protocols::simple_moves::PackRotamersMover::task(class std::shared_ptr<const class core::pack::task::PackerTask>) –> void
- task(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) -> pyrosetta.rosetta.core.pack.task.PackerTask
Returns the PackerTask
- example(s):
- packmover.task()
- See Also:
- PackRotamersMover PackRotamersMover.task_factory
C++: protocols::simple_moves::PackRotamersMover::task() const –> class std::shared_ptr<const class core::pack::task::PackerTask>
-
task_factory
(*args, **kwargs)¶ Overloaded function.
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, tf: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None
Sets the TaskFactory to <tf>
- example(s):
- packmover.task_factory(task_design)
- See Also:
- PackRotamersMover PackRotamersMover.task
C++: protocols::simple_moves::PackRotamersMover::task_factory(class std::shared_ptr<const class core::pack::task::TaskFactory>) –> void
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover) -> pyrosetta.rosetta.core.pack.task.TaskFactory
Returns the TaskFactory
- example(s):
- packmover.task_factory()
- See Also:
- PackRotamersMover PackRotamersMover.task
C++: protocols::simple_moves::PackRotamersMover::task_factory() const –> class std::shared_ptr<const class core::pack::task::TaskFactory>
-
task_is_valid
(self: pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶ C++: protocols::simple_moves::PackRotamersMover::task_is_valid(const class core::pose::Pose &) const –> bool
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
PertMinMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Random perturbation, followed by minimization
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover, arg0: pyrosetta.rosetta.protocols.simple_moves.PertMinMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::PertMinMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover, : pyrosetta.rosetta.protocols.simple_moves.PertMinMover) → pyrosetta.rosetta.protocols.simple_moves.PertMinMover¶ C++: protocols::simple_moves::PertMinMover::operator=(const class protocols::simple_moves::PertMinMover &) –> class protocols::simple_moves::PertMinMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::PertMinMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::PertMinMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover) → str¶ C++: protocols::simple_moves::PertMinMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
min
(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::PertMinMover::min(class core::pose::Pose &) const –> void
-
movemap
(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover) → pyrosetta.rosetta.core.select.movemap.MoveMapFactory¶ C++: protocols::simple_moves::PertMinMover::movemap() const –> class std::shared_ptr<const class core::select::movemap::MoveMapFactory>
-
movemap_factory
(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover, setting: pyrosetta.rosetta.core.select.movemap.MoveMapFactory) → None¶ C++: protocols::simple_moves::PertMinMover::movemap_factory(class std::shared_ptr<const class core::select::movemap::MoveMapFactory>) –> void
-
mover_name
() → str¶ C++: protocols::simple_moves::PertMinMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
pert
(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover, pose: pyrosetta.rosetta.core.pose.Pose, resi: pyrosetta.rosetta.utility.vector1_bool) → None¶ C++: protocols::simple_moves::PertMinMover::pert(class core::pose::Pose &, const class utility::vector1<bool, class std::allocator<bool> > &) const –> void
-
pert_size
(*args, **kwargs)¶ Overloaded function.
- pert_size(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover) -> float
C++: protocols::simple_moves::PertMinMover::pert_size() const –> double
- pert_size(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover, setting: float) -> None
C++: protocols::simple_moves::PertMinMover::pert_size(double) –> void
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::PertMinMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
residues
(*args, **kwargs)¶ Overloaded function.
- residues(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover) -> pyrosetta.rosetta.core.select.residue_selector.ResidueSelector
C++: protocols::simple_moves::PertMinMover::residues() const –> class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>
- residues(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover, setting: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) -> None
C++: protocols::simple_moves::PertMinMover::residues(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
sc_only
(*args, **kwargs)¶ Overloaded function.
- sc_only(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover) -> bool
C++: protocols::simple_moves::PertMinMover::sc_only() const –> bool
- sc_only(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover, setting: bool) -> None
C++: protocols::simple_moves::PertMinMover::sc_only(bool) –> void
-
scorefxn
(*args, **kwargs)¶ Overloaded function.
- scorefxn(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
C++: protocols::simple_moves::PertMinMover::scorefxn() const –> class std::shared_ptr<const class core::scoring::ScoreFunction>
- scorefxn(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover, setting: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
C++: protocols::simple_moves::PertMinMover::scorefxn(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::PertMinMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
uniform
(*args, **kwargs)¶ Overloaded function.
- uniform(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover) -> bool
C++: protocols::simple_moves::PertMinMover::uniform() const –> bool
- uniform(self: pyrosetta.rosetta.protocols.simple_moves.PertMinMover, setting: bool) -> None
C++: protocols::simple_moves::PertMinMover::uniform(bool) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
RandomOmegaFlipMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Simple class that flips a random omega selected from a movemap 180 degrees
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RandomOmegaFlipMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RandomOmegaFlipMover, move_map: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RandomOmegaFlipMover, arg0: pyrosetta.rosetta.protocols.simple_moves.RandomOmegaFlipMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.RandomOmegaFlipMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::RandomOmegaFlipMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.RandomOmegaFlipMover, : pyrosetta.rosetta.protocols.simple_moves.RandomOmegaFlipMover) → pyrosetta.rosetta.protocols.simple_moves.RandomOmegaFlipMover¶ C++: protocols::simple_moves::RandomOmegaFlipMover::operator=(const class protocols::simple_moves::RandomOmegaFlipMover &) –> class protocols::simple_moves::RandomOmegaFlipMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.RandomOmegaFlipMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::RandomOmegaFlipMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.RandomOmegaFlipMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::RandomOmegaFlipMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.RandomOmegaFlipMover) → str¶ C++: protocols::simple_moves::RandomOmegaFlipMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
movemap_factory
(self: pyrosetta.rosetta.protocols.simple_moves.RandomOmegaFlipMover, new_movemap_factory: pyrosetta.rosetta.core.select.movemap.MoveMapFactory) → None¶ C++: protocols::simple_moves::RandomOmegaFlipMover::movemap_factory(class std::shared_ptr<const class core::select::movemap::MoveMapFactory>) –> void
-
mover_name
() → str¶ C++: protocols::simple_moves::RandomOmegaFlipMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::RandomOmegaFlipMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
RandomTorsionMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Simple class that randomly purturbs a random torsion selected from a movemap
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RandomTorsionMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RandomTorsionMover, movemap_factory: pyrosetta.rosetta.core.select.movemap.MoveMapFactory, max_angle: float, num_moves: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RandomTorsionMover, move_map: pyrosetta.rosetta.core.kinematics.MoveMap, max_angle: float, num_moves: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RandomTorsionMover, arg0: pyrosetta.rosetta.protocols.simple_moves.RandomTorsionMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.RandomTorsionMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::RandomTorsionMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.RandomTorsionMover, : pyrosetta.rosetta.protocols.simple_moves.RandomTorsionMover) → pyrosetta.rosetta.protocols.simple_moves.RandomTorsionMover¶ C++: protocols::simple_moves::RandomTorsionMover::operator=(const class protocols::simple_moves::RandomTorsionMover &) –> class protocols::simple_moves::RandomTorsionMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.RandomTorsionMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::RandomTorsionMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.RandomTorsionMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::RandomTorsionMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.RandomTorsionMover) → str¶ C++: protocols::simple_moves::RandomTorsionMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
movemap_factory
(self: pyrosetta.rosetta.protocols.simple_moves.RandomTorsionMover, new_movemap_factory: pyrosetta.rosetta.core.select.movemap.MoveMapFactory) → None¶ C++: protocols::simple_moves::RandomTorsionMover::movemap_factory(class std::shared_ptr<const class core::select::movemap::MoveMapFactory>) –> void
-
mover_name
() → str¶ C++: protocols::simple_moves::RandomTorsionMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::RandomTorsionMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
RepackSidechainsMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A protocols::moves::Mover that packs the side-chains (very similar to pack_missing_sidechains()
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RepackSidechainsMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RepackSidechainsMover, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RepackSidechainsMover, arg0: pyrosetta.rosetta.protocols.simple_moves.RepackSidechainsMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.RepackSidechainsMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::RepackSidechainsMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.RepackSidechainsMover, : pyrosetta.rosetta.protocols.simple_moves.RepackSidechainsMover) → pyrosetta.rosetta.protocols.simple_moves.RepackSidechainsMover¶ C++: protocols::simple_moves::RepackSidechainsMover::operator=(const class protocols::simple_moves::RepackSidechainsMover &) –> class protocols::simple_moves::RepackSidechainsMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.RepackSidechainsMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::RepackSidechainsMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.RepackSidechainsMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::simple_moves::RepackSidechainsMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.RepackSidechainsMover) → str¶ C++: protocols::simple_moves::RepackSidechainsMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
scorefxn
(self: pyrosetta.rosetta.protocols.simple_moves.RepackSidechainsMover) → pyrosetta.rosetta.core.scoring.ScoreFunction¶ C++: protocols::simple_moves::RepackSidechainsMover::scorefxn() const –> class std::shared_ptr<const class core::scoring::ScoreFunction>
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_scorefxn
(self: pyrosetta.rosetta.protocols.simple_moves.RepackSidechainsMover, sf: pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ C++: protocols::simple_moves::RepackSidechainsMover::set_scorefxn(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
ReportEffectivePKA
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
scale density map intensities to match a pose’s
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ReportEffectivePKA) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ReportEffectivePKA, arg0: pyrosetta.rosetta.protocols.simple_moves.ReportEffectivePKA) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.ReportEffectivePKA, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::ReportEffectivePKA::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.ReportEffectivePKA, : pyrosetta.rosetta.protocols.simple_moves.ReportEffectivePKA) → pyrosetta.rosetta.protocols.simple_moves.ReportEffectivePKA¶ C++: protocols::simple_moves::ReportEffectivePKA::operator=(const class protocols::simple_moves::ReportEffectivePKA &) –> class protocols::simple_moves::ReportEffectivePKA &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ReportEffectivePKA) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ReportEffectivePKA::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ReportEffectivePKA) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ReportEffectivePKA::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.ReportEffectivePKA) → str¶ C++: protocols::simple_moves::ReportEffectivePKA::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
init
(self: pyrosetta.rosetta.protocols.simple_moves.ReportEffectivePKA) → None¶ C++: protocols::simple_moves::ReportEffectivePKA::init() –> void
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::ReportEffectivePKA::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::ReportEffectivePKA::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
task_factory
(*args, **kwargs)¶ Overloaded function.
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.ReportEffectivePKA, task_factory: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None
C++: protocols::simple_moves::ReportEffectivePKA::task_factory(class std::shared_ptr<class core::pack::task::TaskFactory>) –> void
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.ReportEffectivePKA) -> pyrosetta.rosetta.core.pack.task.TaskFactory
C++: protocols::simple_moves::ReportEffectivePKA::task_factory() const –> class std::shared_ptr<class core::pack::task::TaskFactory>
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
RepulsiveOnlyMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
this mover replace designated residues with glycines, and then assigns a “REPLONLY” residue type to those glycines. Those “REPLONLY” residues will make only repulsive contributions to the overall energy.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RepulsiveOnlyMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RepulsiveOnlyMover, arg0: pyrosetta.rosetta.protocols.simple_moves.RepulsiveOnlyMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.RepulsiveOnlyMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::RepulsiveOnlyMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.RepulsiveOnlyMover, : pyrosetta.rosetta.protocols.simple_moves.RepulsiveOnlyMover) → pyrosetta.rosetta.protocols.simple_moves.RepulsiveOnlyMover¶ C++: protocols::simple_moves::RepulsiveOnlyMover::operator=(const class protocols::simple_moves::RepulsiveOnlyMover &) –> class protocols::simple_moves::RepulsiveOnlyMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.RepulsiveOnlyMover) → str¶ C++: protocols::simple_moves::RepulsiveOnlyMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_mutate_to_glycine
(self: pyrosetta.rosetta.protocols.simple_moves.RepulsiveOnlyMover, setting: bool) → None¶ C++: protocols::simple_moves::RepulsiveOnlyMover::set_mutate_to_glycine(bool) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
ReturnSidechainMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
This class takes two poses, one at instantiation and one at apply. It copies the residue type set and chi information from its kept pose to the apply pose. The intended purpose is for “returning” known sidechains to a pose that was temporarily in centroid mode, although it may work with other residue type sets.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover, arg0: pyrosetta.rosetta.core.pose.Pose) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover, arg0: pyrosetta.rosetta.core.pose.Pose, arg1: int) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover, pose_in: pyrosetta.rosetta.core.pose.Pose, start_res: int, end_res: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover, arg0: pyrosetta.rosetta.core.pose.Pose, arg1: pyrosetta.rosetta.utility.vector1_bool) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover, arg0: pyrosetta.rosetta.core.pose.Pose, arg1: pyrosetta.rosetta.utility.vector1_bool, arg2: int) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover, pose_in: pyrosetta.rosetta.core.pose.Pose, allow_chi_in: pyrosetta.rosetta.utility.vector1_bool, start_res: int, end_res: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover, arg0: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::ReturnSidechainMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.moves.Mover, other: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::operator=(const class protocols::moves::Mover &) –> class protocols::moves::Mover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ReturnSidechainMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ReturnSidechainMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_end_res
(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover) → int¶ C++: protocols::simple_moves::ReturnSidechainMover::get_end_res() const –> unsigned long
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover) → str¶ C++: protocols::simple_moves::ReturnSidechainMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_start_res
(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover) → int¶ C++: protocols::simple_moves::ReturnSidechainMover::get_start_res() const –> unsigned long
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.ReturnSidechainMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::ReturnSidechainMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
RingConformationMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Based on a given MoveMap, this mover selects movable cyclic residues and flips their rings to an idealized ring conformer.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover, arg0: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover, input_movemap: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover, input_pose: pyrosetta.rosetta.core.pose.Pose) → None¶ Apply the corresponding move to <input_pose>.
C++: protocols::simple_moves::RingConformationMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover, object_to_copy: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover) → pyrosetta.rosetta.protocols.simple_moves.RingConformationMover¶ C++: protocols::simple_moves::RingConformationMover::operator=(const class protocols::simple_moves::RingConformationMover &) –> class protocols::simple_moves::RingConformationMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return the name of the Mover.
C++: protocols::simple_moves::RingConformationMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::RingConformationMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover) → str¶ C++: protocols::simple_moves::RingConformationMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
movemap
(*args, **kwargs)¶ Overloaded function.
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover, pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.kinematics.MoveMap
Get the current MoveMap.
C++: protocols::simple_moves::RingConformationMover::movemap(const class core::pose::Pose &) const –> class std::shared_ptr<const class core::kinematics::MoveMap>
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover, new_movemap: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
Set the MoveMap.
C++: protocols::simple_moves::RingConformationMover::movemap(class std::shared_ptr<class core::kinematics::MoveMap>) –> void
-
movemap_factory
(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover, new_movemap_factory: pyrosetta.rosetta.core.select.movemap.MoveMapFactory) → None¶ Set the MoveMapFactory.
C++: protocols::simple_moves::RingConformationMover::movemap_factory(class std::shared_ptr<const class core::select::movemap::MoveMapFactory>) –> void
-
mover_name
() → str¶ C++: protocols::simple_moves::RingConformationMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::RingConformationMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Register options with the option system.
C++: protocols::simple_moves::RingConformationMover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
sample_all_conformers
(*args, **kwargs)¶ Overloaded function.
- sample_all_conformers(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover) -> bool
Get whether or not this Mover will sample all ring conformers, regardless of energy.
C++: protocols::simple_moves::RingConformationMover::sample_all_conformers() const –> bool
- sample_all_conformers(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover, setting: bool) -> None
Set whether or not this Mover will sample all ring conformers, regardless of energy.
C++: protocols::simple_moves::RingConformationMover::sample_all_conformers(bool) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMover, output: pyrosetta.rosetta.std.ostream) -> None
Generate string representation of RingConformationMover for debugging purposes.
C++: protocols::simple_moves::RingConformationMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
RingConformationMoverCreator
¶ Bases:
pyrosetta.rosetta.protocols.moves.MoverCreator
MoverCreator allowing the MoverFactory to create a RingConformationMover
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMoverCreator) → None¶
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMoverCreator, : pyrosetta.rosetta.protocols.simple_moves.RingConformationMoverCreator) → pyrosetta.rosetta.protocols.simple_moves.RingConformationMoverCreator¶ C++: protocols::simple_moves::RingConformationMoverCreator::operator=(const class protocols::simple_moves::RingConformationMoverCreator &) –> class protocols::simple_moves::RingConformationMoverCreator &
-
create_mover
(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMoverCreator) → pyrosetta.rosetta.protocols.moves.Mover¶ Static method that returns the keyname for performance reasons.
C++: protocols::simple_moves::RingConformationMoverCreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
-
keyname
(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMoverCreator) → str¶ C++: protocols::simple_moves::RingConformationMoverCreator::keyname() const –> std::string
-
provide_xml_schema
(self: pyrosetta.rosetta.protocols.simple_moves.RingConformationMoverCreator, xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::RingConformationMoverCreator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
RotamerizeMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
a mover that replaces the repackable parts - sidechains, bases, etc. - based purely on geometric similarity to the starting structure. The purpose is to generate the best case output of a repacking calculation as a positive control for benchmarking and parameter fitting. Thus, the soft rep potential was originally derived as the score function that gave the best fit between repacked and rotamerized structures for a large test set.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover, : str) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover, task: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover, arg0: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::RotamerizeMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover, : pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover) → pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover¶ C++: protocols::simple_moves::RotamerizeMover::operator=(const class protocols::simple_moves::RotamerizeMover &) –> class protocols::simple_moves::RotamerizeMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover) → str¶ C++: protocols::simple_moves::RotamerizeMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
rotamer_sets
(self: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover) → pyrosetta.rosetta.core.pack.rotamer_set.RotamerSets¶ C++: protocols::simple_moves::RotamerizeMover::rotamer_sets() const –> class std::shared_ptr<const class core::pack::rotamer_set::RotamerSets>
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
task
(*args, **kwargs)¶ Overloaded function.
- task(self: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover, t: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
C++: protocols::simple_moves::RotamerizeMover::task(class std::shared_ptr<class core::pack::task::PackerTask>) –> void
- task(self: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover) -> pyrosetta.rosetta.core.pack.task.PackerTask
C++: protocols::simple_moves::RotamerizeMover::task() const –> class std::shared_ptr<class core::pack::task::PackerTask>
-
task_factory
(*args, **kwargs)¶ Overloaded function.
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover, tf: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None
C++: protocols::simple_moves::RotamerizeMover::task_factory(class std::shared_ptr<const class core::pack::task::TaskFactory>) –> void
- task_factory(self: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover) -> pyrosetta.rosetta.core.pack.task.TaskFactory
C++: protocols::simple_moves::RotamerizeMover::task_factory() const –> class std::shared_ptr<const class core::pack::task::TaskFactory>
-
task_is_valid
(self: pyrosetta.rosetta.protocols.simple_moves.RotamerizeMover, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶ C++: protocols::simple_moves::RotamerizeMover::task_is_valid(const class core::pose::Pose &) const –> bool
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
SaneMinMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
performing energy minimization of a ScoreFunction over the allowable degrees of freedom, defined by a MoveMap. Unlike the classic MinMover, the only method for setting Minimization options is via the MinimizerOptions class.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover, name: str) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover, arg0: pyrosetta.rosetta.core.kinematics.MoveMap, arg1: pyrosetta.rosetta.core.scoring.ScoreFunction, arg2: pyrosetta.rosetta.core.optimization.MinimizerOptions) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover, movemap_in: pyrosetta.rosetta.core.kinematics.MoveMap, scorefxn_in: pyrosetta.rosetta.core.scoring.ScoreFunction, min_options_in: pyrosetta.rosetta.core.optimization.MinimizerOptions, cartesian: bool) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover, arg0: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ Minimizes the DOFs of pose specified in the MoveMap
C++: protocols::simple_moves::SaneMinMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover, : pyrosetta.rosetta.protocols.simple_moves.SaneMinMover) → pyrosetta.rosetta.protocols.simple_moves.SaneMinMover¶ C++: protocols::simple_moves::SaneMinMover::operator=(const class protocols::simple_moves::SaneMinMover &) –> class protocols::simple_moves::SaneMinMover &
-
cartesian
(self: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover) → bool¶ C++: protocols::simple_moves::SaneMinMover::cartesian() const –> bool
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::SaneMinMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover) → str¶ C++: protocols::simple_moves::SaneMinMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
min_options
(self: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover) → pyrosetta.rosetta.core.optimization.MinimizerOptions¶ C++: protocols::simple_moves::SaneMinMover::min_options() const –> class std::shared_ptr<class core::optimization::MinimizerOptions>
-
move_map
(self: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover) → pyrosetta.rosetta.core.kinematics.MoveMap¶ C++: protocols::simple_moves::SaneMinMover::move_map() const –> class std::shared_ptr<class core::kinematics::MoveMap>
-
mover_name
() → str¶ C++: protocols::simple_moves::SaneMinMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::SaneMinMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
score_function
(self: pyrosetta.rosetta.protocols.simple_moves.SaneMinMover) → pyrosetta.rosetta.core.scoring.ScoreFunction¶ C++: protocols::simple_moves::SaneMinMover::score_function() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
SetTorsion
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A mover to change one torsion angle
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion, arg0: pyrosetta.rosetta.protocols.simple_moves.SetTorsion) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
add_perturbation_magnitude
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion, mag_in: float) → None¶ Add a perturbation magnitude to the list of perturbation magnitudes.
Checks for non-negative magnitude. After this operation, the perturbation_magnitude_ vector is one entry longer.C++: protocols::simple_moves::SetTorsion::add_perturbation_magnitude(const double &) –> void
-
add_perturbation_type
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion, type_in: str) → None¶ Add a perturbation type to the list of perturbation types.
Currently only allows “uniform” or “gaussian”. Checks for proper input. After this operation, the perturbation_type_ vector is one entry longer.C++: protocols::simple_moves::SetTorsion::add_perturbation_type(const class std::basic_string<char> &) –> void
-
angle
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion, iset: int, old_angle: float) → float¶ Actually get the value that the torsion will be set to.
Depending on settings, this will look up a value, generate a random value, or perturb an input value.C++: protocols::simple_moves::SetTorsion::angle(const unsigned long, const double &) const –> double
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::SetTorsion::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion, : pyrosetta.rosetta.protocols.simple_moves.SetTorsion) → pyrosetta.rosetta.protocols.simple_moves.SetTorsion¶ C++: protocols::simple_moves::SetTorsion::operator=(const class protocols::simple_moves::SetTorsion &) –> class protocols::simple_moves::SetTorsion &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::SetTorsion::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::SetTorsion::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_fold_tree_root
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion) → int¶ Returns the residue index that will serve as the root of the FoldTree for the SetTorsion operation.
C++: protocols::simple_moves::SetTorsion::get_fold_tree_root() const –> unsigned long
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion) → str¶ C++: protocols::simple_moves::SetTorsion::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::SetTorsion::mover_name() –> std::string
-
n_torsion_sets
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion) → int¶ C++: protocols::simple_moves::SetTorsion::n_torsion_sets() const –> unsigned long
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
perturbation_magnitude
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion, index: int) → float¶ Get a perturbation magnitude.
C++: protocols::simple_moves::SetTorsion::perturbation_magnitude(const unsigned long) const –> double
-
perturbation_type
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion, index: int) → pyrosetta.rosetta.protocols.simple_moves.TorsionPerturbType¶ Get a perturbation type.
C++: protocols::simple_moves::SetTorsion::perturbation_type(const unsigned long) const –> enum protocols::simple_moves::TorsionPerturbType
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::SetTorsion::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
residue_list
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion, iset: int, pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ C++: protocols::simple_moves::SetTorsion::residue_list(unsigned long, const class core::pose::Pose &) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_fold_tree_root
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion, root: int) → None¶ Sets a residue index that will serve as the root of the FoldTree for the SetTorsion operation.
The FoldTree is reset afterwards (i.e. the mover does not permanently change the FoldTree).C++: protocols::simple_moves::SetTorsion::set_fold_tree_root(const unsigned long) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
torsion_ct_name
(: str) → str¶ C++: protocols::simple_moves::SetTorsion::torsion_ct_name(class std::basic_string<char>) –> std::string
-
torsion_name
(self: pyrosetta.rosetta.protocols.simple_moves.SetTorsion, iset: int) → str¶ C++: protocols::simple_moves::SetTorsion::torsion_name(const unsigned long) –> std::string
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
SetupMetalsMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A protocols::moves::Mover that
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, arg0: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::SetupMetalsMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, : pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover¶ C++: protocols::simple_moves::SetupMetalsMover::operator=(const class protocols::simple_moves::SetupMetalsMover &) –> class protocols::simple_moves::SetupMetalsMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::SetupMetalsMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::SetupMetalsMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_add_constraints
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → bool¶ C++: protocols::simple_moves::SetupMetalsMover::get_add_constraints() const –> bool
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_constraints_only
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → bool¶ C++: protocols::simple_moves::SetupMetalsMover::get_constraints_only() const –> bool
-
get_contact_resnums_string
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → str¶ C++: protocols::simple_moves::SetupMetalsMover::get_contact_resnums_string() const –> std::string
-
get_contact_selector
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → pyrosetta.rosetta.core.select.residue_selector.ResidueSelector¶ C++: protocols::simple_moves::SetupMetalsMover::get_contact_selector() const –> class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_metal_resnums_string
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → str¶ C++: protocols::simple_moves::SetupMetalsMover::get_metal_resnums_string() const –> std::string
-
get_metal_selector
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → pyrosetta.rosetta.core.select.residue_selector.ResidueSelector¶ C++: protocols::simple_moves::SetupMetalsMover::get_metal_selector() const –> class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>
-
get_metals_angle_constraint_multiplier
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → float¶ C++: protocols::simple_moves::SetupMetalsMover::get_metals_angle_constraint_multiplier() const –> double
-
get_metals_detection_LJ_multiplier
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → float¶ C++: protocols::simple_moves::SetupMetalsMover::get_metals_detection_LJ_multiplier() const –> double
-
get_metals_distance_constraint_multiplier
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → float¶ C++: protocols::simple_moves::SetupMetalsMover::get_metals_distance_constraint_multiplier() const –> double
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → str¶ C++: protocols::simple_moves::SetupMetalsMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_remove_hydrogens
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) → bool¶ C++: protocols::simple_moves::SetupMetalsMover::get_remove_hydrogens() const –> bool
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::SetupMetalsMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::SetupMetalsMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_add_constraints
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, : bool) → None¶ C++: protocols::simple_moves::SetupMetalsMover::set_add_constraints(bool) –> void
-
set_constraints_only
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, : bool) → None¶ C++: protocols::simple_moves::SetupMetalsMover::set_constraints_only(bool) –> void
-
set_contact_resnums_string
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, : str) → None¶ C++: protocols::simple_moves::SetupMetalsMover::set_contact_resnums_string(class std::basic_string<char>) –> void
-
set_contact_selector
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, : pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ C++: protocols::simple_moves::SetupMetalsMover::set_contact_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_metal_resnums_string
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, : str) → None¶ C++: protocols::simple_moves::SetupMetalsMover::set_metal_resnums_string(class std::basic_string<char>) –> void
-
set_metal_selector
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, : pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ C++: protocols::simple_moves::SetupMetalsMover::set_metal_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_metals_angle_constraint_multiplier
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, : float) → None¶ C++: protocols::simple_moves::SetupMetalsMover::set_metals_angle_constraint_multiplier(double) –> void
-
set_metals_detection_LJ_multiplier
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, : float) → None¶ C++: protocols::simple_moves::SetupMetalsMover::set_metals_detection_LJ_multiplier(double) –> void
-
set_metals_distance_constraint_multiplier
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, : float) → None¶ C++: protocols::simple_moves::SetupMetalsMover::set_metals_distance_constraint_multiplier(double) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_remove_hydrogens
(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, : bool) → None¶ C++: protocols::simple_moves::SetupMetalsMover::set_remove_hydrogens(bool) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.SetupMetalsMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::SetupMetalsMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
ShearMover
¶ Bases:
pyrosetta.rosetta.protocols.simple_moves.BackboneMover
A mover that perturbs the phi of residue i and the psi of residue i-1 such that they create a ‘shearing’ effect, minimizing the downstream consequences of this torsional perturbation. The final torsion angle is subject to a metropolis criterion using the rama score to ensure that only favorable backbone torsion angles are being selected. The number of perturbations, and the magnitude of perturbations, and the temperature in the rama check, can all be modified.
- Common Methods:
- ShearMover.apply
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ShearMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ShearMover, movemap_in: pyrosetta.rosetta.core.kinematics.MoveMap, temperature_in: float, nmoves_in: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ShearMover, arg0: pyrosetta.rosetta.protocols.simple_moves.ShearMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
angle_max
(*args, **kwargs)¶ Overloaded function.
- angle_max(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, angle: float) -> None
- Sets the maximum angle of perturbation, independent of
secondary structure. new_angle = old_angle +/- ( angle_max/2 )
- Example:
- bbmover.angle_max(25)
- See also:
- ShearMover SmallMover
C++: protocols::simple_moves::BackboneMover::angle_max(const double) –> void
- angle_max(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, type: str, angle: float) -> None
- Sets the max angle of perturbation for residues with <type>
secondary structure. (<type> must be ‘H’, ‘E’, or ‘L’.) new_angle = old_angle +/- ( angle_max/2 )
- Example:
- bbmover.angle_max(‘H’, 25)
- See also:
- ShearMover SmallMover
C++: protocols::simple_moves::BackboneMover::angle_max(const char, const double) –> void
- angle_max(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, angle_max_in: pyrosetta.rosetta.std.map_char_double) -> None
- Sets the max angle of perturbation, for secondary structures
- ‘H’, ‘E’, and ‘L’. new_angle = old_angle +/- ( angle_max/2 )
C++: protocols::simple_moves::BackboneMover::angle_max(class std::map<char, double, struct std::less<char>, class std::allocator<struct std::pair<const char, double> > >) –> void
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ virtual functions that get overridden or called from the inheriting classes
C++: protocols::simple_moves::BackboneMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.ShearMover, : pyrosetta.rosetta.protocols.simple_moves.ShearMover) → pyrosetta.rosetta.protocols.simple_moves.ShearMover¶ C++: protocols::simple_moves::ShearMover::operator=(const class protocols::simple_moves::ShearMover &) –> class protocols::simple_moves::ShearMover &
-
backbone_mover_complex_type_namer
(tag_name: str) → str¶ C++: protocols::simple_moves::BackboneMover::backbone_mover_complex_type_namer(class std::basic_string<char>) –> std::string
-
check_rama
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → bool¶ C++: protocols::simple_moves::BackboneMover::check_rama() –> bool
-
clear
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → None¶ C++: protocols::simple_moves::BackboneMover::clear() –> void
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ShearMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ShearMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
complex_type_generator_for_backbone_mover
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → pyrosetta.rosetta.utility.tag.XMLSchemaComplexTypeGenerator¶ C++: protocols::simple_moves::BackboneMover::complex_type_generator_for_backbone_mover(class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
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finalize_simulation
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) → None¶ Callback executed after all Monte Carlo trials are completed.
C++: protocols::canonical_sampling::ThermodynamicMover::finalize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ShearMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ShearMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_angle_max
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, type: str) → float¶ - Gets the max angle of perturbation for residues with <type>
secondary structure. (<type> must be ‘H’, ‘E’, or ‘L’.)
- Example:
- bbmover.angle_max(‘H’)
- See also:
- ShearMover SmallMover
C++: protocols::simple_moves::BackboneMover::get_angle_max(const char) const –> double
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
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get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.ShearMover) → str¶ C++: protocols::simple_moves::ShearMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
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get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
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initialize_simulation
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover, cycle: int) → None¶ Callback executed before any Monte Carlo trials are attempted.
C++: protocols::canonical_sampling::ThermodynamicMover::initialize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &, unsigned long) –> void
-
is_multi_trial
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → bool¶ Return true if the move performs multiple trials on each apply.
last_inner_score_delta_over_temperature()
metropolis_hastings_mover()
set_metropolis_hastings_mover()
C++: protocols::canonical_sampling::ThermodynamicMover::is_multi_trial() –> bool
-
last_inner_score_delta_over_temperature
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → float¶ - If this is a multi-trial move, return the change in internal
score/temperature caused by the last call to apply().
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::last_inner_score_delta_over_temperature() –> double
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → float¶ Return the proposal density ratio for last apply method.
C++: protocols::canonical_sampling::ThermodynamicMover::last_proposal_density_ratio() –> double
-
make_move
(self: pyrosetta.rosetta.protocols.simple_moves.ShearMover, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶ C++: protocols::simple_moves::ShearMover::make_move(class core::pose::Pose &) –> bool
-
metropolis_hastings_mover
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t¶ - If this is a multi-trial move, return the MetropolisHastingsMover
being used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::metropolis_hastings_mover() –> class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>
-
movemap
(*args, **kwargs)¶ Overloaded function.
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, new_movemap: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
C++: protocols::simple_moves::BackboneMover::movemap(class std::shared_ptr<class core::kinematics::MoveMap>) –> void
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.kinematics.MoveMap
Get the movemap for this pose
C++: protocols::simple_moves::BackboneMover::movemap(const class core::pose::Pose &) –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
movemap_factory
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, new_movemap_factory: pyrosetta.rosetta.core.select.movemap.MoveMapFactory) → None¶ C++: protocols::simple_moves::BackboneMover::movemap_factory(class std::shared_ptr<const class core::select::movemap::MoveMapFactory>) –> void
-
mover_name
() → str¶ C++: protocols::simple_moves::ShearMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
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new_omega
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → float¶ C++: protocols::simple_moves::BackboneMover::new_omega() –> double
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new_phi
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → float¶ C++: protocols::simple_moves::BackboneMover::new_phi() –> double
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new_psi
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → float¶ C++: protocols::simple_moves::BackboneMover::new_psi() –> double
-
nmoves
(*args, **kwargs)¶ Overloaded function.
- nmoves(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, nmoves_in: int) -> None
C++: protocols::simple_moves::BackboneMover::nmoves(const unsigned long) –> void
- nmoves(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> int
C++: protocols::simple_moves::BackboneMover::nmoves() const –> unsigned long
-
observe_after_metropolis
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) → None¶ Callback executed after the Metropolis criterion is evaluated.
C++: protocols::canonical_sampling::ThermodynamicMover::observe_after_metropolis(const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
-
preserve_detailed_balance
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → bool¶ get whether detailed balance is preserved (i.e. no Ramachandran biasing)
C++: protocols::simple_moves::BackboneMover::preserve_detailed_balance() const –> bool
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provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::ShearMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
scorefxn
(*args, **kwargs)¶ Overloaded function.
- scorefxn(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
if set, this scorefunction will be used instead of the original rama method (default = not set)
C++: protocols::simple_moves::BackboneMover::scorefxn() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
- scorefxn(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
C++: protocols::simple_moves::BackboneMover::scorefxn(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void
-
selector
(*args, **kwargs)¶ Overloaded function.
- selector(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> pyrosetta.rosetta.core.select.residue_selector.ResidueSelector
- returns the residue selector which can be used to dynamically select residues to perturb
- at runtime
C++: protocols::simple_moves::BackboneMover::selector() const –> class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>
- selector(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) -> None
C++: protocols::simple_moves::BackboneMover::selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_angles
(self: pyrosetta.rosetta.protocols.simple_moves.ShearMover, angle_in: float) → None¶ C++: protocols::simple_moves::ShearMover::set_angles(double) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_metropolis_hastings_mover
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t) → None¶ - If this is a multi-trial move, set the MetropolisHastingsMover to
be used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::set_metropolis_hastings_mover(class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_preserve_detailed_balance
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, preserve_detailed_balance: bool) → None¶ set whether detailed balance is preserved (i.e. no Ramachandran biasing)
C++: protocols::simple_moves::BackboneMover::set_preserve_detailed_balance(bool) –> void
-
set_residue_selector
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ Set the ResidueSelector that this mover will use.
Clones the input.C++: protocols::simple_moves::BackboneMover::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
setup_list
(self: pyrosetta.rosetta.protocols.simple_moves.ShearMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::ShearMover::setup_list(class core::pose::Pose &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::BackboneMover::show(class std::basic_ostream<char> &) const –> void
-
temperature
(*args, **kwargs)¶ Overloaded function.
- temperature(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, temperature_in: float) -> None
Properties set/get functions
C++: protocols::simple_moves::BackboneMover::temperature(const double) –> void
- temperature(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> float
C++: protocols::simple_moves::BackboneMover::temperature() const –> double
-
test_move
(self: pyrosetta.rosetta.protocols.simple_moves.ShearMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::ShearMover::test_move(class core::pose::Pose &) –> void
-
torsion_id_ranges
(self: pyrosetta.rosetta.protocols.simple_moves.ShearMover, pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.utility.vector1_core_id_TorsionID_Range¶ get the TorsionIDs perturbed by the mover during moves, along with their ranges
C++: protocols::simple_moves::ShearMover::torsion_id_ranges(class core::pose::Pose &) –> class utility::vector1<class core::id::TorsionID_Range, class std::allocator<class core::id::TorsionID_Range> >
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
class
pyrosetta.rosetta.protocols.simple_moves.
SimpleThreadingMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
This mover functions to thread the sequence of a region onto the given pose. Nothing fancy here. For more fancy things see protocols/comparative_modeling.
It does the threading by allowing the task to only enable these residues and then does a repacking. Optionally repack neighbors so we save one more step. A sequence is just a string, additional ‘-‘ charactors denote to skip this position in the thread. Default is 5 rounds of packing.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover, thread_sequence: str, start_position: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover, arg0: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::SimpleThreadingMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover, : pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover) → pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover¶ C++: protocols::simple_moves::SimpleThreadingMover::operator=(const class protocols::simple_moves::SimpleThreadingMover &) –> class protocols::simple_moves::SimpleThreadingMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::SimpleThreadingMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::SimpleThreadingMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover) → str¶ C++: protocols::simple_moves::SimpleThreadingMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_neighbor_distance
(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover) → float¶ C++: protocols::simple_moves::SimpleThreadingMover::get_neighbor_distance() const –> double
-
get_pack_neighbors
(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover) → bool¶ C++: protocols::simple_moves::SimpleThreadingMover::get_pack_neighbors() const –> bool
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::SimpleThreadingMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::SimpleThreadingMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_neighbor_distance
(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover, neighbor_dis: float) → None¶ Set the packing distance for neighbor pack.
C++: protocols::simple_moves::SimpleThreadingMover::set_neighbor_distance(double) –> void
-
set_pack_neighbors
(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover, pack_neighbors: bool) → None¶ Pack the neighbor residues?
C++: protocols::simple_moves::SimpleThreadingMover::set_pack_neighbors(bool) –> void
-
set_pack_rounds
(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover, pack_rounds: int) → None¶ Set the number of pack rounds.
C++: protocols::simple_moves::SimpleThreadingMover::set_pack_rounds(unsigned long) –> void
-
set_scorefxn
(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ Set the scorefunction used for packing.
C++: protocols::simple_moves::SimpleThreadingMover::set_scorefxn(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
-
set_sequence
(self: pyrosetta.rosetta.protocols.simple_moves.SimpleThreadingMover, thread_sequence: str, start_position: int) → None¶ Set the sequence to thread onto the structure used in apply and where to start.
Can have ‘-‘ charactors in sequence to denote a gap in the threaded sequence.C++: protocols::simple_moves::SimpleThreadingMover::set_sequence(class std::basic_string<char>, unsigned long) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
SmallMover
¶ Bases:
pyrosetta.rosetta.protocols.simple_moves.BackboneMover
A mover that makes independent random perturbations of the phi and psi torsion angles of residue i. It selects residue i at random among movable residues (set by its MoveMap), and the final torsion angle is subject to a metropolis criterion using the rama score to ensure that only favorable backbone torsion angles are being selected. The number of perturbations, and the magnitude of perturbations, and the temperature in the rama check, can all be modified.
- Common Methods:
- SmallMover.apply SmallMover.angle_max
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SmallMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SmallMover, movemap_in: pyrosetta.rosetta.core.kinematics.MoveMap, temperature_in: float, nmoves_in: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SmallMover, arg0: pyrosetta.rosetta.protocols.simple_moves.SmallMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
angle_max
(*args, **kwargs)¶ Overloaded function.
- angle_max(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, angle: float) -> None
- Sets the maximum angle of perturbation, independent of
secondary structure. new_angle = old_angle +/- ( angle_max/2 )
- Example:
- bbmover.angle_max(25)
- See also:
- ShearMover SmallMover
C++: protocols::simple_moves::BackboneMover::angle_max(const double) –> void
- angle_max(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, type: str, angle: float) -> None
- Sets the max angle of perturbation for residues with <type>
secondary structure. (<type> must be ‘H’, ‘E’, or ‘L’.) new_angle = old_angle +/- ( angle_max/2 )
- Example:
- bbmover.angle_max(‘H’, 25)
- See also:
- ShearMover SmallMover
C++: protocols::simple_moves::BackboneMover::angle_max(const char, const double) –> void
- angle_max(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, angle_max_in: pyrosetta.rosetta.std.map_char_double) -> None
- Sets the max angle of perturbation, for secondary structures
- ‘H’, ‘E’, and ‘L’. new_angle = old_angle +/- ( angle_max/2 )
C++: protocols::simple_moves::BackboneMover::angle_max(class std::map<char, double, struct std::less<char>, class std::allocator<struct std::pair<const char, double> > >) –> void
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ virtual functions that get overridden or called from the inheriting classes
C++: protocols::simple_moves::BackboneMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.SmallMover, : pyrosetta.rosetta.protocols.simple_moves.SmallMover) → pyrosetta.rosetta.protocols.simple_moves.SmallMover¶ C++: protocols::simple_moves::SmallMover::operator=(const class protocols::simple_moves::SmallMover &) –> class protocols::simple_moves::SmallMover &
-
backbone_mover_complex_type_namer
(tag_name: str) → str¶ C++: protocols::simple_moves::BackboneMover::backbone_mover_complex_type_namer(class std::basic_string<char>) –> std::string
-
check_rama
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → bool¶ C++: protocols::simple_moves::BackboneMover::check_rama() –> bool
-
clear
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → None¶ C++: protocols::simple_moves::BackboneMover::clear() –> void
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.SmallMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::SmallMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
complex_type_generator_for_backbone_mover
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → pyrosetta.rosetta.utility.tag.XMLSchemaComplexTypeGenerator¶ C++: protocols::simple_moves::BackboneMover::complex_type_generator_for_backbone_mover(class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
finalize_simulation
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) → None¶ Callback executed after all Monte Carlo trials are completed.
C++: protocols::canonical_sampling::ThermodynamicMover::finalize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.SmallMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::SmallMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_angle_max
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, type: str) → float¶ - Gets the max angle of perturbation for residues with <type>
secondary structure. (<type> must be ‘H’, ‘E’, or ‘L’.)
- Example:
- bbmover.angle_max(‘H’)
- See also:
- ShearMover SmallMover
C++: protocols::simple_moves::BackboneMover::get_angle_max(const char) const –> double
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.SmallMover) → str¶ C++: protocols::simple_moves::SmallMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
initialize_simulation
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover, cycle: int) → None¶ Callback executed before any Monte Carlo trials are attempted.
C++: protocols::canonical_sampling::ThermodynamicMover::initialize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &, unsigned long) –> void
-
is_multi_trial
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → bool¶ Return true if the move performs multiple trials on each apply.
last_inner_score_delta_over_temperature()
metropolis_hastings_mover()
set_metropolis_hastings_mover()
C++: protocols::canonical_sampling::ThermodynamicMover::is_multi_trial() –> bool
-
last_inner_score_delta_over_temperature
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → float¶ - If this is a multi-trial move, return the change in internal
score/temperature caused by the last call to apply().
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::last_inner_score_delta_over_temperature() –> double
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → float¶ Return the proposal density ratio for last apply method.
C++: protocols::canonical_sampling::ThermodynamicMover::last_proposal_density_ratio() –> double
-
make_move
(self: pyrosetta.rosetta.protocols.simple_moves.SmallMover, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶ C++: protocols::simple_moves::SmallMover::make_move(class core::pose::Pose &) –> bool
-
metropolis_hastings_mover
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) → pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t¶ - If this is a multi-trial move, return the MetropolisHastingsMover
being used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::metropolis_hastings_mover() –> class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>
-
movemap
(*args, **kwargs)¶ Overloaded function.
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, new_movemap: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
C++: protocols::simple_moves::BackboneMover::movemap(class std::shared_ptr<class core::kinematics::MoveMap>) –> void
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.kinematics.MoveMap
Get the movemap for this pose
C++: protocols::simple_moves::BackboneMover::movemap(const class core::pose::Pose &) –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
movemap_factory
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, new_movemap_factory: pyrosetta.rosetta.core.select.movemap.MoveMapFactory) → None¶ C++: protocols::simple_moves::BackboneMover::movemap_factory(class std::shared_ptr<const class core::select::movemap::MoveMapFactory>) –> void
-
mover_name
() → str¶ C++: protocols::simple_moves::SmallMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
new_omega
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → float¶ C++: protocols::simple_moves::BackboneMover::new_omega() –> double
-
new_phi
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → float¶ C++: protocols::simple_moves::BackboneMover::new_phi() –> double
-
new_psi
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → float¶ C++: protocols::simple_moves::BackboneMover::new_psi() –> double
-
nmoves
(*args, **kwargs)¶ Overloaded function.
- nmoves(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, nmoves_in: int) -> None
C++: protocols::simple_moves::BackboneMover::nmoves(const unsigned long) –> void
- nmoves(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> int
C++: protocols::simple_moves::BackboneMover::nmoves() const –> unsigned long
-
observe_after_metropolis
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) → None¶ Callback executed after the Metropolis criterion is evaluated.
C++: protocols::canonical_sampling::ThermodynamicMover::observe_after_metropolis(const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
-
preserve_detailed_balance
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) → bool¶ get whether detailed balance is preserved (i.e. no Ramachandran biasing)
C++: protocols::simple_moves::BackboneMover::preserve_detailed_balance() const –> bool
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::SmallMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
scorefxn
(*args, **kwargs)¶ Overloaded function.
- scorefxn(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
if set, this scorefunction will be used instead of the original rama method (default = not set)
C++: protocols::simple_moves::BackboneMover::scorefxn() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
- scorefxn(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
C++: protocols::simple_moves::BackboneMover::scorefxn(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void
-
selector
(*args, **kwargs)¶ Overloaded function.
- selector(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> pyrosetta.rosetta.core.select.residue_selector.ResidueSelector
- returns the residue selector which can be used to dynamically select residues to perturb
- at runtime
C++: protocols::simple_moves::BackboneMover::selector() const –> class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>
- selector(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) -> None
C++: protocols::simple_moves::BackboneMover::selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_angles
(self: pyrosetta.rosetta.protocols.simple_moves.SmallMover, angle_in: float) → None¶ C++: protocols::simple_moves::SmallMover::set_angles(double) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_metropolis_hastings_mover
(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t) → None¶ - If this is a multi-trial move, set the MetropolisHastingsMover to
be used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::set_metropolis_hastings_mover(class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_preserve_detailed_balance
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, preserve_detailed_balance: bool) → None¶ set whether detailed balance is preserved (i.e. no Ramachandran biasing)
C++: protocols::simple_moves::BackboneMover::set_preserve_detailed_balance(bool) –> void
-
set_residue_selector
(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ Set the ResidueSelector that this mover will use.
Clones the input.C++: protocols::simple_moves::BackboneMover::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
setup_list
(self: pyrosetta.rosetta.protocols.simple_moves.SmallMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::SmallMover::setup_list(class core::pose::Pose &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::BackboneMover::show(class std::basic_ostream<char> &) const –> void
-
temperature
(*args, **kwargs)¶ Overloaded function.
- temperature(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover, temperature_in: float) -> None
Properties set/get functions
C++: protocols::simple_moves::BackboneMover::temperature(const double) –> void
- temperature(self: pyrosetta.rosetta.protocols.simple_moves.BackboneMover) -> float
C++: protocols::simple_moves::BackboneMover::temperature() const –> double
-
test_move
(self: pyrosetta.rosetta.protocols.simple_moves.SmallMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::SmallMover::test_move(class core::pose::Pose &) –> void
-
torsion_id_ranges
(self: pyrosetta.rosetta.protocols.simple_moves.SmallMover, pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.utility.vector1_core_id_TorsionID_Range¶ get the TorsionIDs perturbed by the mover during moves, along with their ranges
C++: protocols::simple_moves::SmallMover::torsion_id_ranges(class core::pose::Pose &) –> class utility::vector1<class core::id::TorsionID_Range, class std::allocator<class core::id::TorsionID_Range> >
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
class
pyrosetta.rosetta.protocols.simple_moves.
SmoothSymmetricFragmentMover
¶ Bases:
pyrosetta.rosetta.protocols.simple_moves.SymmetricFragmentMover
,pyrosetta.rosetta.protocols.simple_moves.SmoothFragmentMover
A SymmetricFragmentMover that applies uniform sampling of fragments
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SmoothSymmetricFragmentMover, fragset: pyrosetta.rosetta.core.fragment.FragSet, movemap: pyrosetta.rosetta.core.kinematics.MoveMap, cost: pyrosetta.rosetta.protocols.simple_moves.FragmentCost, symmetric_residue: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SmoothSymmetricFragmentMover, arg0: pyrosetta.rosetta.protocols.simple_moves.SmoothSymmetricFragmentMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(*args, **kwargs)¶ Overloaded function.
- apply(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, pos: int) -> bool
- apply(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose) -> None
Applies classic fragment insertion based on a FragSet
- example:
- mover_3mer.apply(pose)
- See also:
- ClassicFragmentMover Pose ConstantLengthFragSet
C++: protocols::simple_moves::ClassicFragmentMover::apply(class core::pose::Pose &) –> void
-
apply_at_all_positions
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, : pyrosetta.rosetta.core.pose.Pose) → int¶ apply at all movemable positions — honors movemap
C++: protocols::simple_moves::FragmentMover::apply_at_all_positions(class core::pose::Pose &) const –> unsigned long
-
apply_fragment
(self: pyrosetta.rosetta.protocols.simple_moves.SymmetricFragmentMover, frame: pyrosetta.rosetta.core.fragment.Frame, frag_num: int, movemap: pyrosetta.rosetta.core.kinematics.MoveMap, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶ C++: protocols::simple_moves::SymmetricFragmentMover::apply_fragment(const class core::fragment::Frame &, unsigned long, const class core::kinematics::MoveMap &, class core::pose::Pose &) const –> bool
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.SmoothSymmetricFragmentMover, : pyrosetta.rosetta.protocols.simple_moves.SmoothSymmetricFragmentMover) → pyrosetta.rosetta.protocols.simple_moves.SmoothSymmetricFragmentMover¶ C++: protocols::simple_moves::SmoothSymmetricFragmentMover::operator=(const class protocols::simple_moves::SmoothSymmetricFragmentMover &) –> class protocols::simple_moves::SmoothSymmetricFragmentMover &
-
check_ss
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → bool¶ accessor
C++: protocols::simple_moves::ClassicFragmentMover::check_ss() const –> bool
-
choose_fragment
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.fragment.FrameList, : pyrosetta.rosetta.core.pose.Pose, frame_num: int, frag_num: int) → bool¶ - given FrameList and pose, this method yields a fragment ( frame_num/ frag_num);
- return false if nothing suitable is found
C++: protocols::simple_moves::ClassicFragmentMover::choose_fragment(const class core::fragment::FrameList &, const class core::pose::Pose &, unsigned long &, unsigned long &) const –> bool
-
choose_window_length
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, window_length: int) → bool¶ - yields a length (window_length) of the fragment window to sample from
- ( return false, if no suitable length is found )
C++: protocols::simple_moves::ClassicFragmentMover::choose_window_length(const class core::pose::Pose &, unsigned long &) const –> bool
-
choose_window_start
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, window_length: int, window_start: int) → bool¶ - yields a start position (window_start) for fragment window to sample from
- ( return false, if nothing suitable is found )
C++: protocols::simple_moves::ClassicFragmentMover::choose_window_start(const class core::pose::Pose &, unsigned long, unsigned long &) const –> bool
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ClassicFragmentMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
define_start_window
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, window_start: int) → None¶ apply fragment at predefined position
C++: protocols::simple_moves::ClassicFragmentMover::define_start_window(unsigned long) –> void
-
enable_end_bias_check
(*args, **kwargs)¶ Overloaded function.
- enable_end_bias_check(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) -> None
- enable_end_bias_check(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: bool) -> None
C++: protocols::simple_moves::ClassicFragmentMover::enable_end_bias_check(bool) –> void
-
end_bias
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → float¶ C++: protocols::simple_moves::ClassicFragmentMover::end_bias() const –> double
-
end_bias_check
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, window_start: int) → bool¶ C++: protocols::simple_moves::ClassicFragmentMover::end_bias_check(const class core::pose::Pose &, unsigned long) const –> bool
-
end_bias_check_enabled
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → bool¶ C++: protocols::simple_moves::ClassicFragmentMover::end_bias_check_enabled() const –> bool
-
fragments
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.core.fragment.FragSet¶ accessor to the fragment set
C++: protocols::simple_moves::FragmentMover::fragments() const –> class std::shared_ptr<const class core::fragment::FragSet>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ClassicFragmentMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.SmoothSymmetricFragmentMover) → str¶ C++: protocols::simple_moves::SmoothSymmetricFragmentMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
initialize
(self: pyrosetta.rosetta.protocols.moves.MoveMapMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::moves::MoveMapMover::initialize(class core::pose::Pose &) –> void
-
insert_map
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ C++: protocols::simple_moves::FragmentMover::insert_map() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
-
insert_size
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ C++: protocols::simple_moves::FragmentMover::insert_size() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
movemap
(*args, **kwargs)¶ Overloaded function.
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, : pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.kinematics.MoveMap
C++: protocols::simple_moves::FragmentMover::movemap(const class core::pose::Pose &) const –> class std::shared_ptr<const class core::kinematics::MoveMap>
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) -> pyrosetta.rosetta.core.kinematics.MoveMap
C++: protocols::simple_moves::FragmentMover::movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
on_new_fragments
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → None¶ is called from set_fragments()
C++: protocols::simple_moves::ClassicFragmentMover::on_new_fragments() –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_check_ss
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: bool) → None¶ check_ss controls whether fragment insertions are rejected that create short helices (<3) or strands (<2)
C++: protocols::simple_moves::ClassicFragmentMover::set_check_ss(bool) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_defaults
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → None¶ set defaults
C++: protocols::simple_moves::ClassicFragmentMover::set_defaults() –> void
-
set_end_bias
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: float) → None¶ C++: protocols::simple_moves::ClassicFragmentMover::set_end_bias(double) –> void
-
set_fragments
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, new_frags_: pyrosetta.rosetta.core.fragment.FragSet) → None¶ setter for the fragment set
C++: protocols::simple_moves::FragmentMover::set_fragments(class std::shared_ptr<const class core::fragment::FragSet>) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_min_frag_length
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: int) → None¶ min_frag_length controls the behaviour fragset->region()
C++: protocols::simple_moves::ClassicFragmentMover::set_min_frag_length(unsigned long) –> void
-
set_min_overlap
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: int) → None¶ min_overlap controls the behaviour fragset->region()
C++: protocols::simple_moves::ClassicFragmentMover::set_min_overlap(unsigned long) –> void
-
set_movemap
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, movemap: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ setter for the movemap
C++: protocols::simple_moves::FragmentMover::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
C++: protocols::simple_moves::SmoothSymmetricFragmentMover::shared_from_this() –> class std::shared_ptr<class protocols::simple_moves::SmoothSymmetricFragmentMover>
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::ClassicFragmentMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
valid_ss
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, new_ss: str) → bool¶ returns true if the ss string is acceptable
C++: protocols::simple_moves::ClassicFragmentMover::valid_ss(const class std::basic_string<char> &) const –> bool
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
StorePoseSnapshot
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A mover to store current residue indices in a map that will be updated as residues are added or deleted, permitting residue indices from the current state to be used to set up movers applied in the future.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.StorePoseSnapshot) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.StorePoseSnapshot, arg0: pyrosetta.rosetta.protocols.simple_moves.StorePoseSnapshot) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.StorePoseSnapshot, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ Apply function – actually apply this mover to the pose, modifying the pose.
C++: protocols::simple_moves::StorePoseSnapshot::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.StorePoseSnapshot, : pyrosetta.rosetta.protocols.simple_moves.StorePoseSnapshot) → pyrosetta.rosetta.protocols.simple_moves.StorePoseSnapshot¶ C++: protocols::simple_moves::StorePoseSnapshot::operator=(const class protocols::simple_moves::StorePoseSnapshot &) –> class protocols::simple_moves::StorePoseSnapshot &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.StorePoseSnapshot) → pyrosetta.rosetta.protocols.moves.Mover¶ Makea copy of this mover, and return an owning pointer to the copy.
C++: protocols::simple_moves::StorePoseSnapshot::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.StorePoseSnapshot) → pyrosetta.rosetta.protocols.moves.Mover¶ Create a new instance of this mover, initialized to default settings.
C++: protocols::simple_moves::StorePoseSnapshot::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.StorePoseSnapshot) → str¶ C++: protocols::simple_moves::StorePoseSnapshot::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::StorePoseSnapshot::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::StorePoseSnapshot::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
reference_pose_name
(self: pyrosetta.rosetta.protocols.simple_moves.StorePoseSnapshot) → str¶ Return the name of the reference pose object that will be created and stored in the pose.
C++: protocols::simple_moves::StorePoseSnapshot::reference_pose_name() const –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_reference_pose_name
(self: pyrosetta.rosetta.protocols.simple_moves.StorePoseSnapshot, name_in: str) → None¶ Set the name of the reference pose object that will be created and stored in the pose.
C++: protocols::simple_moves::StorePoseSnapshot::set_reference_pose_name(const class std::basic_string<char> &) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
SuperimposeMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Superimpose pose onto reference pose. Default CA only. All residues. Optionally set to superimpose regions or backbone only (N, C, CA, O)
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover, ref_pose: pyrosetta.rosetta.core.pose.Pose) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover, ref_pose: pyrosetta.rosetta.core.pose.Pose, ref_start: int, ref_end: int, target_start: int, target_end: int, CA_only: bool) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover, arg0: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::SuperimposeMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover, : pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover) → pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover¶ C++: protocols::simple_moves::SuperimposeMover::operator=(const class protocols::simple_moves::SuperimposeMover &) –> class protocols::simple_moves::SuperimposeMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::SuperimposeMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::SuperimposeMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover) → str¶ C++: protocols::simple_moves::SuperimposeMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::SuperimposeMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::SuperimposeMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_ca_only
(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover, setting: bool) → None¶ C++: protocols::simple_moves::SuperimposeMover::set_ca_only(bool) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_reference_pose
(*args, **kwargs)¶ Overloaded function.
- set_reference_pose(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover, pose: pyrosetta.rosetta.core.pose.Pose) -> None
- set_reference_pose(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover, pose: pyrosetta.rosetta.core.pose.Pose, start: int) -> None
- set_reference_pose(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover, pose: pyrosetta.rosetta.core.pose.Pose, start: int, end: int) -> None
C++: protocols::simple_moves::SuperimposeMover::set_reference_pose(const class core::pose::Pose &, unsigned long, unsigned long) –> void
-
set_target_range
(self: pyrosetta.rosetta.protocols.simple_moves.SuperimposeMover, start: int, end: int) → None¶ C++: protocols::simple_moves::SuperimposeMover::set_target_range(unsigned long, unsigned long) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
SwitchResidueTypeSetMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A mover that switches a pose between residue type sets (e.g. centroid and fullatom)
- examples:
- switch = protocols::simple_moves::SwitchResidueTypeSetMover(“centroid”)
- See also:
- Pose Residue ResidueType ResidueTypeSet
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover, : str) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover, arg0: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ Applies ResidueTypeSet converion on the pose
: a single protocols::moves::Mover only converts in ONE direction e.g. to centroid
C++: protocols::simple_moves::SwitchResidueTypeSetMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover, : pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover) → pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover¶ C++: protocols::simple_moves::SwitchResidueTypeSetMover::operator=(const class protocols::simple_moves::SwitchResidueTypeSetMover &) –> class protocols::simple_moves::SwitchResidueTypeSetMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::SwitchResidueTypeSetMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::SwitchResidueTypeSetMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover) → str¶ C++: protocols::simple_moves::SwitchResidueTypeSetMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_residue_type_set
(self: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover) → str¶ C++: protocols::simple_moves::SwitchResidueTypeSetMover::get_residue_type_set() const –> std::string
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::SwitchResidueTypeSetMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::SwitchResidueTypeSetMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::SwitchResidueTypeSetMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
type_set_tag
(self: pyrosetta.rosetta.protocols.simple_moves.SwitchResidueTypeSetMover, type_set_tag_in: str) → None¶ C++: protocols::simple_moves::SwitchResidueTypeSetMover::type_set_tag(const class std::basic_string<char> &) –> void
-
class
pyrosetta.rosetta.protocols.simple_moves.
SymmetricFragmentMover
¶ Bases:
pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover
A SymmetricFragmentMover that applies uniform sampling of fragments
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SymmetricFragmentMover, fragset: pyrosetta.rosetta.core.fragment.FragSet, movemap: pyrosetta.rosetta.core.kinematics.MoveMap, symmetric_residue: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.SymmetricFragmentMover, arg0: pyrosetta.rosetta.protocols.simple_moves.SymmetricFragmentMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(*args, **kwargs)¶ Overloaded function.
- apply(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, pos: int) -> bool
- apply(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose) -> None
Applies classic fragment insertion based on a FragSet
- example:
- mover_3mer.apply(pose)
- See also:
- ClassicFragmentMover Pose ConstantLengthFragSet
C++: protocols::simple_moves::ClassicFragmentMover::apply(class core::pose::Pose &) –> void
-
apply_at_all_positions
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, : pyrosetta.rosetta.core.pose.Pose) → int¶ apply at all movemable positions — honors movemap
C++: protocols::simple_moves::FragmentMover::apply_at_all_positions(class core::pose::Pose &) const –> unsigned long
-
apply_fragment
(self: pyrosetta.rosetta.protocols.simple_moves.SymmetricFragmentMover, frame: pyrosetta.rosetta.core.fragment.Frame, frag_num: int, movemap: pyrosetta.rosetta.core.kinematics.MoveMap, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶ C++: protocols::simple_moves::SymmetricFragmentMover::apply_fragment(const class core::fragment::Frame &, unsigned long, const class core::kinematics::MoveMap &, class core::pose::Pose &) const –> bool
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.SymmetricFragmentMover, : pyrosetta.rosetta.protocols.simple_moves.SymmetricFragmentMover) → pyrosetta.rosetta.protocols.simple_moves.SymmetricFragmentMover¶ C++: protocols::simple_moves::SymmetricFragmentMover::operator=(const class protocols::simple_moves::SymmetricFragmentMover &) –> class protocols::simple_moves::SymmetricFragmentMover &
-
check_ss
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → bool¶ accessor
C++: protocols::simple_moves::ClassicFragmentMover::check_ss() const –> bool
-
choose_fragment
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.fragment.FrameList, : pyrosetta.rosetta.core.pose.Pose, frame_num: int, frag_num: int) → bool¶ - given FrameList and pose, this method yields a fragment ( frame_num/ frag_num);
- return false if nothing suitable is found
C++: protocols::simple_moves::ClassicFragmentMover::choose_fragment(const class core::fragment::FrameList &, const class core::pose::Pose &, unsigned long &, unsigned long &) const –> bool
-
choose_window_length
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, window_length: int) → bool¶ - yields a length (window_length) of the fragment window to sample from
- ( return false, if no suitable length is found )
C++: protocols::simple_moves::ClassicFragmentMover::choose_window_length(const class core::pose::Pose &, unsigned long &) const –> bool
-
choose_window_start
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, window_length: int, window_start: int) → bool¶ - yields a start position (window_start) for fragment window to sample from
- ( return false, if nothing suitable is found )
C++: protocols::simple_moves::ClassicFragmentMover::choose_window_start(const class core::pose::Pose &, unsigned long, unsigned long &) const –> bool
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ClassicFragmentMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
define_start_window
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, window_start: int) → None¶ apply fragment at predefined position
C++: protocols::simple_moves::ClassicFragmentMover::define_start_window(unsigned long) –> void
-
enable_end_bias_check
(*args, **kwargs)¶ Overloaded function.
- enable_end_bias_check(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) -> None
- enable_end_bias_check(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: bool) -> None
C++: protocols::simple_moves::ClassicFragmentMover::enable_end_bias_check(bool) –> void
-
end_bias
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → float¶ C++: protocols::simple_moves::ClassicFragmentMover::end_bias() const –> double
-
end_bias_check
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, window_start: int) → bool¶ C++: protocols::simple_moves::ClassicFragmentMover::end_bias_check(const class core::pose::Pose &, unsigned long) const –> bool
-
end_bias_check_enabled
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → bool¶ C++: protocols::simple_moves::ClassicFragmentMover::end_bias_check_enabled() const –> bool
-
fragments
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.core.fragment.FragSet¶ accessor to the fragment set
C++: protocols::simple_moves::FragmentMover::fragments() const –> class std::shared_ptr<const class core::fragment::FragSet>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ClassicFragmentMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.SymmetricFragmentMover) → str¶ C++: protocols::simple_moves::SymmetricFragmentMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
initialize
(self: pyrosetta.rosetta.protocols.moves.MoveMapMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::moves::MoveMapMover::initialize(class core::pose::Pose &) –> void
-
insert_map
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ C++: protocols::simple_moves::FragmentMover::insert_map() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
-
insert_size
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ C++: protocols::simple_moves::FragmentMover::insert_size() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
movemap
(*args, **kwargs)¶ Overloaded function.
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, : pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.kinematics.MoveMap
C++: protocols::simple_moves::FragmentMover::movemap(const class core::pose::Pose &) const –> class std::shared_ptr<const class core::kinematics::MoveMap>
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) -> pyrosetta.rosetta.core.kinematics.MoveMap
C++: protocols::simple_moves::FragmentMover::movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
on_new_fragments
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → None¶ is called from set_fragments()
C++: protocols::simple_moves::ClassicFragmentMover::on_new_fragments() –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_check_ss
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: bool) → None¶ check_ss controls whether fragment insertions are rejected that create short helices (<3) or strands (<2)
C++: protocols::simple_moves::ClassicFragmentMover::set_check_ss(bool) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_defaults
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → None¶ set defaults
C++: protocols::simple_moves::ClassicFragmentMover::set_defaults() –> void
-
set_end_bias
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: float) → None¶ C++: protocols::simple_moves::ClassicFragmentMover::set_end_bias(double) –> void
-
set_fragments
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, new_frags_: pyrosetta.rosetta.core.fragment.FragSet) → None¶ setter for the fragment set
C++: protocols::simple_moves::FragmentMover::set_fragments(class std::shared_ptr<const class core::fragment::FragSet>) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_min_frag_length
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: int) → None¶ min_frag_length controls the behaviour fragset->region()
C++: protocols::simple_moves::ClassicFragmentMover::set_min_frag_length(unsigned long) –> void
-
set_min_overlap
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: int) → None¶ min_overlap controls the behaviour fragset->region()
C++: protocols::simple_moves::ClassicFragmentMover::set_min_overlap(unsigned long) –> void
-
set_movemap
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, movemap: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ setter for the movemap
C++: protocols::simple_moves::FragmentMover::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
C++: protocols::simple_moves::SymmetricFragmentMover::shared_from_this() –> class std::shared_ptr<class protocols::simple_moves::SymmetricFragmentMover>
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::ClassicFragmentMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
valid_ss
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, new_ss: str) → bool¶ returns true if the ss string is acceptable
C++: protocols::simple_moves::ClassicFragmentMover::valid_ss(const class std::basic_string<char> &) const –> bool
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
TaskAwareMinMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
this class wraps MinMover, but ensures that its MoveMap always contains up-to-date information about sidechain mobility. It takes its base movemap, allows sidechain freedom at any position mobile in a Factory-generated PackerTask, and passes the new movemap to MinMover. The MinMover’s MoveMap does not accumulate state over many calls to apply().
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover, minmover_in: pyrosetta.rosetta.protocols.simple_moves.MinMover, factory_in: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover, arg0: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::TaskAwareMinMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover, : pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover) → pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover¶ C++: protocols::simple_moves::TaskAwareMinMover::operator=(const class protocols::simple_moves::TaskAwareMinMover &) –> class protocols::simple_moves::TaskAwareMinMover &
-
bb
(*args, **kwargs)¶ Overloaded function.
- bb(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover, val: bool) -> None
C++: protocols::simple_moves::TaskAwareMinMover::bb(bool) –> void
- bb(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover) -> bool
C++: protocols::simple_moves::TaskAwareMinMover::bb() const –> bool
-
chi
(*args, **kwargs)¶ Overloaded function.
- chi(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover, val: bool) -> None
C++: protocols::simple_moves::TaskAwareMinMover::chi(bool) –> void
- chi(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover) -> bool
C++: protocols::simple_moves::TaskAwareMinMover::chi() const –> bool
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::TaskAwareMinMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::TaskAwareMinMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover) → str¶ C++: protocols::simple_moves::TaskAwareMinMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
jump
(*args, **kwargs)¶ Overloaded function.
- jump(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover, j: bool) -> None
C++: protocols::simple_moves::TaskAwareMinMover::jump(const bool) –> void
- jump(self: pyrosetta.rosetta.protocols.simple_moves.TaskAwareMinMover) -> bool
C++: protocols::simple_moves::TaskAwareMinMover::jump() const –> bool
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::simple_moves::TaskAwareMinMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::simple_moves::TaskAwareMinMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
ThermodynamicData
¶ Bases:
pybind11_builtins.pybind11_object
structure that stores data during simulation
intraE and interE are incorrect for now;
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ThermodynamicData) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.ThermodynamicData, arg0: pyrosetta.rosetta.protocols.simple_moves.ThermodynamicData) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.ThermodynamicData, : pyrosetta.rosetta.protocols.simple_moves.ThermodynamicData) → pyrosetta.rosetta.protocols.simple_moves.ThermodynamicData¶ C++: protocols::simple_moves::ThermodynamicData::operator=(const struct protocols::simple_moves::ThermodynamicData &) –> struct protocols::simple_moves::ThermodynamicData &
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
TorsionDOFMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
This mover rotates a specific AtomTree Torsion degree of freedom (any valid 4-body torsion). It can rotate by a fixed amount, within a range, or randomly. Optionally, the mover will attempt to internally score the move with MMTorsionEnergy (similar to check_rama in Small/ShearMover). The mover will print a warning message at apply time if the specified DOF is bad. For now this mover only allows one DOF; if you want to have it consider multiple DOF’s that might be a good idea. The DOF is determined by a set of 4 atoms; this allows the mover to check the validity of the DOF. I found it conceptually simpler to think about the 4 atoms involved in the torsion than try to trace DOF_IDs.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover, atom1: pyrosetta.rosetta.core.id.AtomID, atom2: pyrosetta.rosetta.core.id.AtomID, atom3: pyrosetta.rosetta.core.id.AtomID, atom4: pyrosetta.rosetta.core.id.AtomID) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover, atom1: pyrosetta.rosetta.core.id.AtomID, atom2: pyrosetta.rosetta.core.id.AtomID, atom3: pyrosetta.rosetta.core.id.AtomID, atom4: pyrosetta.rosetta.core.id.AtomID, upper: float, lower: float) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover, atom1: pyrosetta.rosetta.core.id.AtomID, atom2: pyrosetta.rosetta.core.id.AtomID, atom3: pyrosetta.rosetta.core.id.AtomID, atom4: pyrosetta.rosetta.core.id.AtomID, angle: float) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover, arg0: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::simple_moves::TorsionDOFMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover, : pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover) → pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover¶ C++: protocols::simple_moves::TorsionDOFMover::operator=(const class protocols::simple_moves::TorsionDOFMover &) –> class protocols::simple_moves::TorsionDOFMover &
-
check_mmt
(*args, **kwargs)¶ Overloaded function.
- check_mmt(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover, setting: bool) -> None
(de)activate scoring check
C++: protocols::simple_moves::TorsionDOFMover::check_mmt(const bool) –> void
- check_mmt(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover) -> bool
getter for scoring check
C++: protocols::simple_moves::TorsionDOFMover::check_mmt() const –> bool
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_DOF
(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover, atom1: pyrosetta.rosetta.core.id.AtomID, atom2: pyrosetta.rosetta.core.id.AtomID, atom3: pyrosetta.rosetta.core.id.AtomID, atom4: pyrosetta.rosetta.core.id.AtomID) → None¶ return DOF
C++: protocols::simple_moves::TorsionDOFMover::get_DOF(class core::id::AtomID &, class core::id::AtomID &, class core::id::AtomID &, class core::id::AtomID &) const –> void
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_angle_range
(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover, upper: float, lower: float) → None¶ return range of allowed angles
C++: protocols::simple_moves::TorsionDOFMover::get_angle_range(double &, double &) const –> void
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover) → str¶ C++: protocols::simple_moves::TorsionDOFMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_DOF
(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover, atom1: pyrosetta.rosetta.core.id.AtomID, atom2: pyrosetta.rosetta.core.id.AtomID, atom3: pyrosetta.rosetta.core.id.AtomID, atom4: pyrosetta.rosetta.core.id.AtomID) → None¶ change the torsion DOF under consideration
C++: protocols::simple_moves::TorsionDOFMover::set_DOF(const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &) –> void
-
set_angle_range
(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover, upper: float, lower: float) → None¶ ///////////////////////////////getters, setters////////////////////////////////////////
set range of desired change - on [180, -180) degreesC++: protocols::simple_moves::TorsionDOFMover::set_angle_range(const double, const double) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
temp
(*args, **kwargs)¶ Overloaded function.
- temp(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover, setting: float) -> None
set temperature for scoring check
C++: protocols::simple_moves::TorsionDOFMover::temp(const double) –> void
- temp(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover) -> float
getter for temperature for scoring check
C++: protocols::simple_moves::TorsionDOFMover::temp() const –> double
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
tries
(*args, **kwargs)¶ Overloaded function.
- tries(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover, setting: int) -> None
set number of tries
C++: protocols::simple_moves::TorsionDOFMover::tries(const unsigned long) –> void
- tries(self: pyrosetta.rosetta.protocols.simple_moves.TorsionDOFMover) -> int
getter for number of tries
C++: protocols::simple_moves::TorsionDOFMover::tries() const –> unsigned long
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
TrialResult
¶ Bases:
pybind11_builtins.pybind11_object
Describes result of a trial
- REJECTED : Move was rejected
- ACCEPTED : Move was accepted FAILED : Some failure occurred during the move FINISHED : The stopping condition was met
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
(*args, **kwargs)¶ Overloaded function.
- __eq__(self: pyrosetta.rosetta.protocols.simple_moves.TrialResult, arg0: pyrosetta.rosetta.protocols.simple_moves.TrialResult) -> bool
- __eq__(self: pyrosetta.rosetta.protocols.simple_moves.TrialResult, arg0: int) -> bool
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__getstate__
(self: pyrosetta.rosetta.protocols.simple_moves.TrialResult) → tuple¶
-
__gt__
¶ Return self>value.
-
__hash__
(self: pyrosetta.rosetta.protocols.simple_moves.TrialResult) → int¶
-
__init__
(self: pyrosetta.rosetta.protocols.simple_moves.TrialResult, arg0: int) → None¶
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__int__
(self: pyrosetta.rosetta.protocols.simple_moves.TrialResult) → int¶
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
(*args, **kwargs)¶ Overloaded function.
- __ne__(self: pyrosetta.rosetta.protocols.simple_moves.TrialResult, arg0: pyrosetta.rosetta.protocols.simple_moves.TrialResult) -> bool
- __ne__(self: pyrosetta.rosetta.protocols.simple_moves.TrialResult, arg0: int) -> bool
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
(self: pyrosetta.rosetta.protocols.simple_moves.TrialResult) → str¶
-
__setattr__
¶ Implement setattr(self, name, value).
-
__setstate__
(self: pyrosetta.rosetta.protocols.simple_moves.TrialResult, arg0: tuple) → None¶
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
class
pyrosetta.rosetta.protocols.simple_moves.
UniformRotationMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Uniform Rotation Mover
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.UniformRotationMover, alpha: float, axis: pyrosetta.rosetta.numeric.xyzVector_double_t, rb_jump: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.UniformRotationMover, arg0: pyrosetta.rosetta.protocols.simple_moves.UniformRotationMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.UniformRotationMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ Apply Rotation
Rotate the membrane to the new normal positionC++: protocols::simple_moves::UniformRotationMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.UniformRotationMover, src: pyrosetta.rosetta.protocols.simple_moves.UniformRotationMover) → pyrosetta.rosetta.protocols.simple_moves.UniformRotationMover¶ Assignment Operator
Make a deep copy of this mover object, overriding the assignment operatorC++: protocols::simple_moves::UniformRotationMover::operator=(const class protocols::simple_moves::UniformRotationMover &) –> class protocols::simple_moves::UniformRotationMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.UniformRotationMover) → str¶ Get the name of this mover
C++: protocols::simple_moves::UniformRotationMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
UniformTranslationMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Uniform Translation Mover
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.UniformTranslationMover, new_position_: pyrosetta.rosetta.numeric.xyzVector_double_t, rb_jump: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.UniformTranslationMover, arg0: pyrosetta.rosetta.protocols.simple_moves.UniformTranslationMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.simple_moves.UniformTranslationMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ Apply Translation to membrane position
Translate membrane position to new centerC++: protocols::simple_moves::UniformTranslationMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.UniformTranslationMover, src: pyrosetta.rosetta.protocols.simple_moves.UniformTranslationMover) → pyrosetta.rosetta.protocols.simple_moves.UniformTranslationMover¶ Assignment Operator
Make a deep copy of this mover object, overriding the assignment operatorC++: protocols::simple_moves::UniformTranslationMover::operator=(const class protocols::simple_moves::UniformTranslationMover &) –> class protocols::simple_moves::UniformTranslationMover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.simple_moves.UniformTranslationMover) → str¶ Get the name of this mover
C++: protocols::simple_moves::UniformTranslationMover::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.simple_moves.
WobbleMover
¶ Bases:
pyrosetta.rosetta.protocols.simple_moves.SmoothFragmentMover
A protocols::moves::Mover class for a classic-wobble analog: a smooth move followed by ccd closure
- a smooth fragment is chosen according to the FragmentCost Functor;
- a cutpoint is inserted just in front of or just after the fragment a loop is defined around the fragment and cutpoint to be closed with ccd: a cut_Cterm insertion: —-lfff bbb—- f: fragment_res b: buffer_res -: immovable residues a !cut_Cterm insertion: —bbb fffl—
the number of b resiudes is controlled by buffer_length_ (default 3); the move is used by apply() (inherited from FragmentMover). the insertion and loop closure is implemented in the virtual method apply_fragment().
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.WobbleMover, fragset: pyrosetta.rosetta.core.fragment.FragSet, movemap: pyrosetta.rosetta.core.kinematics.MoveMap, cost: pyrosetta.rosetta.protocols.simple_moves.FragmentCost) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.WobbleMover, fragset: pyrosetta.rosetta.core.fragment.FragSet, movemap: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
- __init__(self: pyrosetta.rosetta.protocols.simple_moves.WobbleMover, arg0: pyrosetta.rosetta.protocols.simple_moves.WobbleMover) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → str¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(*args, **kwargs)¶ Overloaded function.
- apply(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, pos: int) -> bool
- apply(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose) -> None
Applies classic fragment insertion based on a FragSet
- example:
- mover_3mer.apply(pose)
- See also:
- ClassicFragmentMover Pose ConstantLengthFragSet
C++: protocols::simple_moves::ClassicFragmentMover::apply(class core::pose::Pose &) –> void
-
apply_at_all_positions
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, : pyrosetta.rosetta.core.pose.Pose) → int¶ apply at all movemable positions — honors movemap
C++: protocols::simple_moves::FragmentMover::apply_at_all_positions(class core::pose::Pose &) const –> unsigned long
-
apply_fragment
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, frame: pyrosetta.rosetta.core.fragment.Frame, frag_num: int, movemap: pyrosetta.rosetta.core.kinematics.MoveMap, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶ apply the chosen fragment,
this can be overloaded to change action, e.,g., WobbleMover introduces chain-break before fragment insertion and does ccd-loop closure afterwardsC++: protocols::simple_moves::ClassicFragmentMover::apply_fragment(const class core::fragment::Frame &, unsigned long, const class core::kinematics::MoveMap &, class core::pose::Pose &) const –> bool
-
assign
(self: pyrosetta.rosetta.protocols.simple_moves.WobbleMover, : pyrosetta.rosetta.protocols.simple_moves.WobbleMover) → pyrosetta.rosetta.protocols.simple_moves.WobbleMover¶ C++: protocols::simple_moves::WobbleMover::operator=(const class protocols::simple_moves::WobbleMover &) –> class protocols::simple_moves::WobbleMover &
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check_ss
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → bool¶ accessor
C++: protocols::simple_moves::ClassicFragmentMover::check_ss() const –> bool
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choose_fragment
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.fragment.FrameList, : pyrosetta.rosetta.core.pose.Pose, frame_num: int, frag_num: int) → bool¶ - given FrameList and pose, this method yields a fragment ( frame_num/ frag_num);
- return false if nothing suitable is found
C++: protocols::simple_moves::ClassicFragmentMover::choose_fragment(const class core::fragment::FrameList &, const class core::pose::Pose &, unsigned long &, unsigned long &) const –> bool
-
choose_window_length
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, window_length: int) → bool¶ - yields a length (window_length) of the fragment window to sample from
- ( return false, if no suitable length is found )
C++: protocols::simple_moves::ClassicFragmentMover::choose_window_length(const class core::pose::Pose &, unsigned long &) const –> bool
-
choose_window_start
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, window_length: int, window_start: int) → bool¶ - yields a start position (window_start) for fragment window to sample from
- ( return false, if nothing suitable is found )
C++: protocols::simple_moves::ClassicFragmentMover::choose_window_start(const class core::pose::Pose &, unsigned long, unsigned long &) const –> bool
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
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clone
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ClassicFragmentMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
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create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
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define_start_window
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, window_start: int) → None¶ apply fragment at predefined position
C++: protocols::simple_moves::ClassicFragmentMover::define_start_window(unsigned long) –> void
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enable_end_bias_check
(*args, **kwargs)¶ Overloaded function.
- enable_end_bias_check(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) -> None
- enable_end_bias_check(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: bool) -> None
C++: protocols::simple_moves::ClassicFragmentMover::enable_end_bias_check(bool) –> void
-
end_bias
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → float¶ C++: protocols::simple_moves::ClassicFragmentMover::end_bias() const –> double
-
end_bias_check
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, : pyrosetta.rosetta.core.pose.Pose, window_start: int) → bool¶ C++: protocols::simple_moves::ClassicFragmentMover::end_bias_check(const class core::pose::Pose &, unsigned long) const –> bool
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end_bias_check_enabled
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → bool¶ C++: protocols::simple_moves::ClassicFragmentMover::end_bias_check_enabled() const –> bool
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fragments
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.core.fragment.FragSet¶ accessor to the fragment set
C++: protocols::simple_moves::FragmentMover::fragments() const –> class std::shared_ptr<const class core::fragment::FragSet>
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fresh_instance
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::simple_moves::ClassicFragmentMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
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get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
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get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
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get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
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get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
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get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
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get_name
(self: pyrosetta.rosetta.protocols.simple_moves.WobbleMover) → str¶ C++: protocols::simple_moves::WobbleMover::get_name() const –> std::string
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get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
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get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
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get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
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get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
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info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
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initialize
(self: pyrosetta.rosetta.protocols.moves.MoveMapMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::moves::MoveMapMover::initialize(class core::pose::Pose &) –> void
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insert_map
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ C++: protocols::simple_moves::FragmentMover::insert_map() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
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insert_size
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ C++: protocols::simple_moves::FragmentMover::insert_size() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
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last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
movemap
(*args, **kwargs)¶ Overloaded function.
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, : pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.kinematics.MoveMap
C++: protocols::simple_moves::FragmentMover::movemap(const class core::pose::Pose &) const –> class std::shared_ptr<const class core::kinematics::MoveMap>
- movemap(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) -> pyrosetta.rosetta.core.kinematics.MoveMap
C++: protocols::simple_moves::FragmentMover::movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
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name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
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on_new_fragments
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) → None¶ is called from set_fragments()
C++: protocols::simple_moves::ClassicFragmentMover::on_new_fragments() –> void
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register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
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reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
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reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
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set_buffer_length
(self: pyrosetta.rosetta.protocols.simple_moves.WobbleMover, setting: int) → None¶ C++: protocols::simple_moves::WobbleMover::set_buffer_length(unsigned long) –> void
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set_check_ss
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: bool) → None¶ check_ss controls whether fragment insertions are rejected that create short helices (<3) or strands (<2)
C++: protocols::simple_moves::ClassicFragmentMover::set_check_ss(bool) –> void
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set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_defaults
(self: pyrosetta.rosetta.protocols.simple_moves.WobbleMover) → None¶ C++: protocols::simple_moves::WobbleMover::set_defaults() –> void
-
set_end_bias
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: float) → None¶ C++: protocols::simple_moves::ClassicFragmentMover::set_end_bias(double) –> void
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set_fragments
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, new_frags_: pyrosetta.rosetta.core.fragment.FragSet) → None¶ setter for the fragment set
C++: protocols::simple_moves::FragmentMover::set_fragments(class std::shared_ptr<const class core::fragment::FragSet>) –> void
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set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
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set_min_frag_length
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: int) → None¶ min_frag_length controls the behaviour fragset->region()
C++: protocols::simple_moves::ClassicFragmentMover::set_min_frag_length(unsigned long) –> void
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set_min_overlap
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, setting: int) → None¶ min_overlap controls the behaviour fragset->region()
C++: protocols::simple_moves::ClassicFragmentMover::set_min_overlap(unsigned long) –> void
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set_movemap
(self: pyrosetta.rosetta.protocols.simple_moves.FragmentMover, movemap: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ setter for the movemap
C++: protocols::simple_moves::FragmentMover::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
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set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
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set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
C++: protocols::simple_moves::SmoothFragmentMover::shared_from_this() –> class std::shared_ptr<class protocols::simple_moves::SmoothFragmentMover>
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover) -> None
- show(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::simple_moves::ClassicFragmentMover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
valid_ss
(self: pyrosetta.rosetta.protocols.simple_moves.ClassicFragmentMover, new_ss: str) → bool¶ returns true if the ss string is acceptable
C++: protocols::simple_moves::ClassicFragmentMover::valid_ss(const class std::basic_string<char> &) const –> bool
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pyrosetta.rosetta.protocols.simple_moves.
replace_file
(origfile: str, newfile: str) → None¶ helper function that safely replaces a file with another
C++: protocols::simple_moves::replace_file(const class std::basic_string<char> &, const class std::basic_string<char> &) –> void
-
pyrosetta.rosetta.protocols.simple_moves.
setup_vary_polar_hydrogen_geometry
(mm: pyrosetta.rosetta.core.kinematics.MoveMap, pose: pyrosetta.rosetta.core.pose.Pose, atom_level_domain_map: pyrosetta.rosetta.protocols.toolbox.AtomLevelDomainMap) → None¶ C++: protocols::simple_moves::setup_vary_polar_hydrogen_geometry(class core::kinematics::MoveMap &, class core::pose::Pose &, class std::shared_ptr<const class protocols::toolbox::AtomLevelDomainMap>) –> void
-
pyrosetta.rosetta.protocols.simple_moves.
setup_vary_rna_bond_geometry
(*args, **kwargs)¶ Overloaded function.
- setup_vary_rna_bond_geometry(mm: pyrosetta.rosetta.core.kinematics.MoveMap, pose: pyrosetta.rosetta.core.pose.Pose, atom_level_domain_map: pyrosetta.rosetta.protocols.toolbox.AtomLevelDomainMap) -> None
- setup_vary_rna_bond_geometry(mm: pyrosetta.rosetta.core.kinematics.MoveMap, pose: pyrosetta.rosetta.core.pose.Pose, atom_level_domain_map: pyrosetta.rosetta.protocols.toolbox.AtomLevelDomainMap, score_type: pyrosetta.rosetta.core.scoring.ScoreType) -> None
C++: protocols::simple_moves::setup_vary_rna_bond_geometry(class core::kinematics::MoveMap &, class core::pose::Pose &, class std::shared_ptr<const class protocols::toolbox::AtomLevelDomainMap>, enum core::scoring::ScoreType) –> void
-
pyrosetta.rosetta.protocols.simple_moves.
uniform_dof_distribution
(dof_type: pyrosetta.rosetta.core.id.DOF_Type, num_bins: int, min: float, max: float) → pyrosetta.rosetta.utility.vector1_double¶ C++: protocols::simple_moves::uniform_dof_distribution(enum core::id::DOF_Type, unsigned long, double, double) –> class utility::vector1<double, class std::allocator<double> >