matdes¶
Bindings for protocols::matdes namespace
-
class
pyrosetta.rosetta.protocols.matdes.
GetRBDOFValues
¶ Bases:
pyrosetta.rosetta.protocols.filters.Filter
WARNING WARNING WARNING THIS CLASS USES THE THREAD UNSAFE SymDofMoverSampler AND MAKES ANY PROTOCOL THAT USES THIS CLASS THREAD UNSAFE.
-
angle
(*args, **kwargs)¶ Overloaded function.
- angle(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, ang: bool) -> None
C++: protocols::matdes::GetRBDOFValues::angle(const bool) –> void
- angle(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues) -> bool
C++: protocols::matdes::GetRBDOFValues::angle() const –> bool
-
apply
(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶ C++: protocols::matdes::GetRBDOFValues::apply(const class core::pose::Pose &) const –> bool
-
axis
(*args, **kwargs)¶ Overloaded function.
- axis(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, ax: str) -> None
C++: protocols::matdes::GetRBDOFValues::axis(const char) –> void
- axis(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues) -> str
C++: protocols::matdes::GetRBDOFValues::axis() const –> char
-
class_name
() → str¶ C++: protocols::matdes::GetRBDOFValues::class_name() –> std::string
-
clear
(self: pyrosetta.rosetta.protocols.filters.Filter) → None¶ used to clear internal variables if needed. Using fresh_instance is preferred since it’s a pure virtual
C++: protocols::filters::Filter::clear() –> void
-
clone
(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues) → pyrosetta.rosetta.protocols.filters.Filter¶ C++: protocols::matdes::GetRBDOFValues::clone() const –> class std::shared_ptr<class protocols::filters::Filter>
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compute
(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, pose: pyrosetta.rosetta.core.pose.Pose, verb: bool, dof_name: str, jump: int, ax: str, disp: bool, ang: bool, init_d: float, init_a: float, get_init: bool) → float¶ get the translation and rotation for a user specified jump
C++: protocols::matdes::GetRBDOFValues::compute(const class core::pose::Pose &, const bool &, const class std::basic_string<char> &, const int &, const char &, const bool &, const bool &, const double &, const double &, const bool &) const –> double
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fresh_instance
(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues) → pyrosetta.rosetta.protocols.filters.Filter¶ C++: protocols::matdes::GetRBDOFValues::fresh_instance() const –> class std::shared_ptr<class protocols::filters::Filter>
-
get_init_value
(*args, **kwargs)¶ Overloaded function.
- get_init_value(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, get_init: bool) -> None
C++: protocols::matdes::GetRBDOFValues::get_init_value(const bool) –> void
- get_init_value(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues) -> bool
C++: protocols::matdes::GetRBDOFValues::get_init_value() const –> bool
-
get_type
(self: pyrosetta.rosetta.protocols.filters.Filter) → str¶ C++: protocols::filters::Filter::get_type() const –> std::string
-
get_user_defined_name
(self: pyrosetta.rosetta.protocols.filters.Filter) → str¶ C++: protocols::filters::Filter::get_user_defined_name() const –> std::string
-
init_angle
(*args, **kwargs)¶ Overloaded function.
- init_angle(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, init_a: float) -> None
C++: protocols::matdes::GetRBDOFValues::init_angle(const double) –> void
- init_angle(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues) -> float
C++: protocols::matdes::GetRBDOFValues::init_angle() const –> double
-
init_disp
(*args, **kwargs)¶ Overloaded function.
- init_disp(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, init_d: float) -> None
C++: protocols::matdes::GetRBDOFValues::init_disp(const double) –> void
- init_disp(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues) -> float
C++: protocols::matdes::GetRBDOFValues::init_disp() const –> double
-
jump_id
(*args, **kwargs)¶ Overloaded function.
- jump_id(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, jump: int) -> None
C++: protocols::matdes::GetRBDOFValues::jump_id(const unsigned long) –> void
- jump_id(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues) -> int
C++: protocols::matdes::GetRBDOFValues::jump_id() const –> unsigned long
-
name
(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues) → str¶ C++: protocols::matdes::GetRBDOFValues::name() const –> std::string
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parse_my_tag
(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, tag: pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap, : pyrosetta.rosetta.std.map_std_string_std_shared_ptr_protocols_filters_Filter_t, : pyrosetta.rosetta.std.map_const_std_string_std_shared_ptr_protocols_moves_Mover_t, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::matdes::GetRBDOFValues::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &, const class std::map<class std::basic_string<char>, class std::shared_ptr<class protocols::filters::Filter>, struct std::less<class std::basic_string<char> >, class std::allocator<struct std::pair<const class std::basic_string<char>, class std::shared_ptr<class protocols::filters::Filter> > > > &, const class std::map<const class std::basic_string<char>, class std::shared_ptr<class protocols::moves::Mover>, struct std::less<const class std::basic_string<char> >, class std::allocator<struct std::pair<const class std::basic_string<char>, class std::shared_ptr<class protocols::moves::Mover> > > > &, const class core::pose::Pose &) –> void
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provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::matdes::GetRBDOFValues::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
radial_disp
(*args, **kwargs)¶ Overloaded function.
- radial_disp(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, disp: bool) -> None
C++: protocols::matdes::GetRBDOFValues::radial_disp(const bool) –> void
- radial_disp(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues) -> bool
C++: protocols::matdes::GetRBDOFValues::radial_disp() const –> bool
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report
(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, out: pyrosetta.rosetta.std.ostream, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::matdes::GetRBDOFValues::report(class std::basic_ostream<char> &, const class core::pose::Pose &) const –> void
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report_sm
(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, pose: pyrosetta.rosetta.core.pose.Pose) → float¶ C++: protocols::matdes::GetRBDOFValues::report_sm(const class core::pose::Pose &) const –> double
-
score
(self: pyrosetta.rosetta.protocols.filters.Filter, pose: pyrosetta.rosetta.core.pose.Pose) → float¶ C++: protocols::filters::Filter::score(class core::pose::Pose &) –> double
-
set_user_defined_name
(self: pyrosetta.rosetta.protocols.filters.Filter, name: str) → None¶ C++: protocols::filters::Filter::set_user_defined_name(const class std::basic_string<char> &) –> void
-
sym_dof_name
(*args, **kwargs)¶ Overloaded function.
- sym_dof_name(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, dof_name: str) -> None
C++: protocols::matdes::GetRBDOFValues::sym_dof_name(const class std::basic_string<char> &) –> void
- sym_dof_name(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues) -> str
C++: protocols::matdes::GetRBDOFValues::sym_dof_name() const –> std::string
-
verbose
(*args, **kwargs)¶ Overloaded function.
- verbose(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues, verb: bool) -> None
C++: protocols::matdes::GetRBDOFValues::verbose(const bool) –> void
- verbose(self: pyrosetta.rosetta.protocols.matdes.GetRBDOFValues) -> bool
C++: protocols::matdes::GetRBDOFValues::verbose() const –> bool
-
-
class
pyrosetta.rosetta.protocols.matdes.
SymDofMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
WARNING WARNING WARNING THIS IS A THREAD-UNSAFE CLASS SINCE IT USES THE SymDofMoverSampler, A NON-CONSTANT SINGLETON. ANY PROTOCOL THAT RELIES ON THIS MOVER IS THREAD-UNSAFE.
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add_components_to_pose_if_necessary
(self: pyrosetta.rosetta.protocols.matdes.SymDofMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::matdes::SymDofMover::add_components_to_pose_if_necessary(class core::pose::Pose &) –> void
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apply
(self: pyrosetta.rosetta.protocols.matdes.SymDofMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::matdes::SymDofMover::apply(class core::pose::Pose &) –> void
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assign
(self: pyrosetta.rosetta.protocols.matdes.SymDofMover, : pyrosetta.rosetta.protocols.matdes.SymDofMover) → pyrosetta.rosetta.protocols.matdes.SymDofMover¶ C++: protocols::matdes::SymDofMover::operator=(const class protocols::matdes::SymDofMover &) –> class protocols::matdes::SymDofMover &
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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
-
clone
(self: pyrosetta.rosetta.protocols.matdes.SymDofMover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::matdes::SymDofMover::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>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.matdes.SymDofMover) → pyrosetta.rosetta.protocols.moves.Mover¶ create this type of object
C++: protocols::matdes::SymDofMover::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>
-
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
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get_name
(self: pyrosetta.rosetta.protocols.matdes.SymDofMover) → str¶ C++: protocols::matdes::SymDofMover::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>
-
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
-
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::matdes::SymDofMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
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parse_my_tag
(self: pyrosetta.rosetta.protocols.matdes.SymDofMover, tag: pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap, : pyrosetta.rosetta.std.map_std_string_std_shared_ptr_protocols_filters_Filter_t, : pyrosetta.rosetta.std.map_const_std_string_std_shared_ptr_protocols_moves_Mover_t, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::matdes::SymDofMover::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &, const class std::map<class std::basic_string<char>, class std::shared_ptr<class protocols::filters::Filter>, struct std::less<class std::basic_string<char> >, class std::allocator<struct std::pair<const class std::basic_string<char>, class std::shared_ptr<class protocols::filters::Filter> > > > &, const class std::map<const class std::basic_string<char>, class std::shared_ptr<class protocols::moves::Mover>, struct std::less<const class std::basic_string<char> >, class std::allocator<struct std::pair<const class std::basic_string<char>, class std::shared_ptr<class protocols::moves::Mover> > > > &, const class core::pose::Pose &) –> void
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::matdes::SymDofMover::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.matdes.
SymDofMoverSampler
¶ Bases:
pyrosetta.rosetta.utility.SingletonBase_protocols_matdes_SymDofMoverSampler_t
WARNING WARNING WARNING THIS SINGLETON CLASS HOLDS NON-CONST, JOB SPECIFIC DATA AND MAKES EVERY CLASS THAT USES THIS DATA THREAD UNSAFE. THIS IS NOT HOW SINGLETONS SHOULD BE USED.
-
get_angle_diffs
(self: pyrosetta.rosetta.protocols.matdes.SymDofMoverSampler) → pyrosetta.rosetta.utility.vector1_double¶ C++: protocols::matdes::SymDofMoverSampler::get_angle_diffs() –> class utility::vector1<double, class std::allocator<double> >
-
get_angles
(self: pyrosetta.rosetta.protocols.matdes.SymDofMoverSampler) → pyrosetta.rosetta.utility.vector1_double¶ C++: protocols::matdes::SymDofMoverSampler::get_angles() –> class utility::vector1<double, class std::allocator<double> >
-
get_instance
() → protocols::matdes::SymDofMoverSampler¶ C++: utility::SingletonBase<protocols::matdes::SymDofMoverSampler>::get_instance() –> class protocols::matdes::SymDofMoverSampler *
-
get_radial_disp_diffs
(self: pyrosetta.rosetta.protocols.matdes.SymDofMoverSampler) → pyrosetta.rosetta.utility.vector1_double¶ C++: protocols::matdes::SymDofMoverSampler::get_radial_disp_diffs() –> class utility::vector1<double, class std::allocator<double> >
-
get_radial_disps
(self: pyrosetta.rosetta.protocols.matdes.SymDofMoverSampler) → pyrosetta.rosetta.utility.vector1_double¶ C++: protocols::matdes::SymDofMoverSampler::get_radial_disps() –> class utility::vector1<double, class std::allocator<double> >
-
get_sym_dof_names
(self: pyrosetta.rosetta.protocols.matdes.SymDofMoverSampler) → pyrosetta.rosetta.utility.vector1_std_string¶ C++: protocols::matdes::SymDofMoverSampler::get_sym_dof_names() –> class utility::vector1<std::string, class std::allocator<std::string > >
-
set_angle_ranges
(self: pyrosetta.rosetta.protocols.matdes.SymDofMoverSampler, angles_range_min: pyrosetta.rosetta.utility.vector1_double, angles_range_max: pyrosetta.rosetta.utility.vector1_double, angle_steps: pyrosetta.rosetta.utility.vector1_double) → None¶ C++: protocols::matdes::SymDofMoverSampler::set_angle_ranges(class utility::vector1<double, class std::allocator<double> >, class utility::vector1<double, class std::allocator<double> >, class utility::vector1<double, class std::allocator<double> >) –> void
-
set_angles
(self: pyrosetta.rosetta.protocols.matdes.SymDofMoverSampler, angles: pyrosetta.rosetta.utility.vector1_double) → None¶ C++: protocols::matdes::SymDofMoverSampler::set_angles(class utility::vector1<double, class std::allocator<double> >) –> void
-
set_radial_disp_ranges
(self: pyrosetta.rosetta.protocols.matdes.SymDofMoverSampler, radial_disps_range_min: pyrosetta.rosetta.utility.vector1_double, radial_disps_range_max: pyrosetta.rosetta.utility.vector1_double, radial_disp_steps: pyrosetta.rosetta.utility.vector1_double) → None¶ C++: protocols::matdes::SymDofMoverSampler::set_radial_disp_ranges(class utility::vector1<double, class std::allocator<double> >, class utility::vector1<double, class std::allocator<double> >, class utility::vector1<double, class std::allocator<double> >) –> void
-
set_radial_disps
(self: pyrosetta.rosetta.protocols.matdes.SymDofMoverSampler, radial_disps: pyrosetta.rosetta.utility.vector1_double) → None¶ C++: protocols::matdes::SymDofMoverSampler::set_radial_disps(class utility::vector1<double, class std::allocator<double> >) –> void
-
set_sym_dof_names
(self: pyrosetta.rosetta.protocols.matdes.SymDofMoverSampler, sym_dof_names: pyrosetta.rosetta.utility.vector1_std_string) → None¶ C++: protocols::matdes::SymDofMoverSampler::set_sym_dof_names(class utility::vector1<class std::basic_string<char>, class std::allocator<class std::basic_string<char> > >) –> void
-
step
(self: pyrosetta.rosetta.protocols.matdes.SymDofMoverSampler) → None¶ C++: protocols::matdes::SymDofMoverSampler::step() –> void
-
-
class
pyrosetta.rosetta.protocols.matdes.
SymUnsatHbondFilter
¶ Bases:
pyrosetta.rosetta.protocols.filters.Filter
filters based on an upper bound # of buried unsatisfied polar residues
-
apply
(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶ C++: protocols::matdes::SymUnsatHbondFilter::apply(const class core::pose::Pose &) const –> bool
-
class_name
() → str¶ C++: protocols::matdes::SymUnsatHbondFilter::class_name() –> std::string
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clear
(self: pyrosetta.rosetta.protocols.filters.Filter) → None¶ used to clear internal variables if needed. Using fresh_instance is preferred since it’s a pure virtual
C++: protocols::filters::Filter::clear() –> void
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clone
(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter) → pyrosetta.rosetta.protocols.filters.Filter¶ C++: protocols::matdes::SymUnsatHbondFilter::clone() const –> class std::shared_ptr<class protocols::filters::Filter>
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compare_to_ref
(*args, **kwargs)¶ Overloaded function.
- compare_to_ref(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, compare_to_ref: bool) -> None
C++: protocols::matdes::SymUnsatHbondFilter::compare_to_ref(const bool) –> void
- compare_to_ref(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter) -> bool
C++: protocols::matdes::SymUnsatHbondFilter::compare_to_ref() const –> bool
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compute
(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, pose: pyrosetta.rosetta.core.pose.Pose, verb: bool, write: bool) → float¶ C++: protocols::matdes::SymUnsatHbondFilter::compute(const class core::pose::Pose &, const bool &, const bool &) const –> double
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fresh_instance
(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter) → pyrosetta.rosetta.protocols.filters.Filter¶ C++: protocols::matdes::SymUnsatHbondFilter::fresh_instance() const –> class std::shared_ptr<class protocols::filters::Filter>
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get_type
(self: pyrosetta.rosetta.protocols.filters.Filter) → str¶ C++: protocols::filters::Filter::get_type() const –> std::string
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get_user_defined_name
(self: pyrosetta.rosetta.protocols.filters.Filter) → str¶ C++: protocols::filters::Filter::get_user_defined_name() const –> std::string
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jump_num
(*args, **kwargs)¶ Overloaded function.
- jump_num(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, jump: int) -> None
C++: protocols::matdes::SymUnsatHbondFilter::jump_num(const unsigned long) –> void
- jump_num(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter) -> int
C++: protocols::matdes::SymUnsatHbondFilter::jump_num() const –> unsigned long
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mode
(*args, **kwargs)¶ Overloaded function.
- mode(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, mode: str) -> None
C++: protocols::matdes::SymUnsatHbondFilter::mode(const class std::basic_string<char>) –> void
- mode(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter) -> str
C++: protocols::matdes::SymUnsatHbondFilter::mode() const –> std::string
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name
(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter) → str¶ C++: protocols::matdes::SymUnsatHbondFilter::name() const –> std::string
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parse_my_tag
(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, tag: pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap, : pyrosetta.rosetta.std.map_std_string_std_shared_ptr_protocols_filters_Filter_t, : pyrosetta.rosetta.std.map_const_std_string_std_shared_ptr_protocols_moves_Mover_t, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::matdes::SymUnsatHbondFilter::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &, const class std::map<class std::basic_string<char>, class std::shared_ptr<class protocols::filters::Filter>, struct std::less<class std::basic_string<char> >, class std::allocator<struct std::pair<const class std::basic_string<char>, class std::shared_ptr<class protocols::filters::Filter> > > > &, const class std::map<const class std::basic_string<char>, class std::shared_ptr<class protocols::moves::Mover>, struct std::less<const class std::basic_string<char> >, class std::allocator<struct std::pair<const class std::basic_string<char>, class std::shared_ptr<class protocols::moves::Mover> > > > &, const class core::pose::Pose &) –> void
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provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::matdes::SymUnsatHbondFilter::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
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reference_pose
(*args, **kwargs)¶ Overloaded function.
- reference_pose(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, reference_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::matdes::SymUnsatHbondFilter::reference_pose(const class std::shared_ptr<class core::pose::Pose>) –> void
- reference_pose(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter) -> pyrosetta.rosetta.core.pose.Pose
C++: protocols::matdes::SymUnsatHbondFilter::reference_pose() const –> class std::shared_ptr<class core::pose::Pose>
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report
(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, out: pyrosetta.rosetta.std.ostream, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::matdes::SymUnsatHbondFilter::report(class std::basic_ostream<char> &, const class core::pose::Pose &) const –> void
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report_sm
(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, pose: pyrosetta.rosetta.core.pose.Pose) → float¶ C++: protocols::matdes::SymUnsatHbondFilter::report_sm(const class core::pose::Pose &) const –> double
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score
(self: pyrosetta.rosetta.protocols.filters.Filter, pose: pyrosetta.rosetta.core.pose.Pose) → float¶ C++: protocols::filters::Filter::score(class core::pose::Pose &) –> double
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set_user_defined_name
(self: pyrosetta.rosetta.protocols.filters.Filter, name: str) → None¶ C++: protocols::filters::Filter::set_user_defined_name(const class std::basic_string<char> &) –> void
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sym_dof_names
(*args, **kwargs)¶ Overloaded function.
- sym_dof_names(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, sym_dofs: str) -> None
C++: protocols::matdes::SymUnsatHbondFilter::sym_dof_names(const class std::basic_string<char>) –> void
- sym_dof_names(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter) -> str
C++: protocols::matdes::SymUnsatHbondFilter::sym_dof_names() const –> std::string
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upper_threshold
(*args, **kwargs)¶ Overloaded function.
- upper_threshold(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, upper_cutoff: int) -> None
C++: protocols::matdes::SymUnsatHbondFilter::upper_threshold(const unsigned long) –> void
- upper_threshold(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter) -> int
C++: protocols::matdes::SymUnsatHbondFilter::upper_threshold() const –> unsigned long
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verbose
(*args, **kwargs)¶ Overloaded function.
- verbose(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, verb: bool) -> None
C++: protocols::matdes::SymUnsatHbondFilter::verbose(const bool) –> void
- verbose(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter) -> bool
C++: protocols::matdes::SymUnsatHbondFilter::verbose() const –> bool
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write2pdb
(*args, **kwargs)¶ Overloaded function.
- write2pdb(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, write: bool) -> None
C++: protocols::matdes::SymUnsatHbondFilter::write2pdb(const bool) –> void
- write2pdb(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter) -> bool
C++: protocols::matdes::SymUnsatHbondFilter::write2pdb() const –> bool
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write_pymol_string_to_pdb
(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, pymol_selection: str) → None¶ C++: protocols::matdes::SymUnsatHbondFilter::write_pymol_string_to_pdb(const class std::basic_string<char>) const –> void
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write_to_pdb
(self: pyrosetta.rosetta.protocols.matdes.SymUnsatHbondFilter, pose: pyrosetta.rosetta.core.pose.Pose, mode: str, residue_name: str, residue: int, atom_name: str) → None¶ C++: protocols::matdes::SymUnsatHbondFilter::write_to_pdb(const class core::pose::Pose &, const class std::basic_string<char>, const class std::basic_string<char>, const unsigned long, const class std::basic_string<char>) const –> void
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