mpi_refinement¶

Bindings for protocols::mpi_refinement namespace

pyrosetta.rosetta.protocols.mpi_refinement.CA_Sscore(*args, **kwargs)¶

Overloaded function.

CA_Sscore(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, rmsd: float, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long) -> float
CA_Sscore(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, rmsd: float, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, superimpose: bool) -> float
CA_Sscore(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, rmsd: float, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, superimpose: bool, dbase: float) -> float

C++: protocols::mpi_refinement::CA_Sscore(class std::shared_ptr<class core::io::silent::SilentStruct>, class std::shared_ptr<class core::io::silent::SilentStruct>, double &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> >, const bool, const double) –> double

CA_Sscore(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, rmsd: float) -> float
CA_Sscore(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, rmsd: float, superimpose: bool) -> float
CA_Sscore(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, rmsd: float, superimpose: bool, dbase: float) -> float

C++: protocols::mpi_refinement::CA_Sscore(class std::shared_ptr<class core::io::silent::SilentStruct>, class std::shared_ptr<class core::io::silent::SilentStruct>, double &, const bool, const double) –> double

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose¶

Bases: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler

///// WorkUnit Combine

__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.mpi_refinement.WorkUnit_CombinePose) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose, arg0: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose, nstruct: int, cartesian: bool) -> None
__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose, arg0: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose) -> 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_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose¶: C++: protocols::mpi_refinement::WorkUnit_CombinePose::operator=(const class protocols::mpi_refinement::WorkUnit_CombinePose &) –> class protocols::mpi_refinement::WorkUnit_CombinePose &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_CombinePose::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose, : int) → None¶: C++: protocols::mpi_refinement::WorkUnit_CombinePose::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(class std::basic_ostream<char> &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose) → None¶: C++: protocols::mpi_refinement::WorkUnit_CombinePose::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_maxfrac(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose, setting: float) → None¶: C++: protocols::mpi_refinement::WorkUnit_CombinePose::set_maxfrac(const double) –> void

set_minfrac(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose, setting: float) → None¶: C++: protocols::mpi_refinement::WorkUnit_CombinePose::set_minfrac(const double) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const class std::basic_string<char> &) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const class std::basic_string<char> &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert¶

Bases: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler

///// WorkUnit FragInsert

__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.mpi_refinement.WorkUnit_FragInsert) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, arg0: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, arg0: int, arg1: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, arg0: int, arg1: int, arg2: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, arg0: int, arg1: int, arg2: int, arg3: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, nsteps: int, scoretype: int, res1: int, res2: int, fullatom: bool) -> None
__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, arg0: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert) -> 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_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::operator=(const class protocols::mpi_refinement::WorkUnit_FragInsert &) –> class protocols::mpi_refinement::WorkUnit_FragInsert &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(class std::basic_ostream<char> &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert) → None¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_nsteps(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::set_nsteps(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const class std::basic_string<char> &) –> void

set_res1(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::set_res1(const unsigned long) –> void

set_res2(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::set_res2(const unsigned long) –> void

set_scoretype(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::set_scoretype(const unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const class std::basic_string<char> &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser¶

Bases: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler

///// WorkUnit KicCloser

__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.mpi_refinement.WorkUnit_KicCloser) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, arg0: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, arg0: int, arg1: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, arg0: int, arg1: int, arg2: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, arg0: int, arg1: int, arg2: int, arg3: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, nsteps: int, scoretype: int, res1: int, res2: int, kicclose: bool) -> None
__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, arg0: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser) -> 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_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::operator=(const class protocols::mpi_refinement::WorkUnit_KicCloser &) –> class protocols::mpi_refinement::WorkUnit_KicCloser &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(class std::basic_ostream<char> &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser) → None¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_nsteps(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::set_nsteps(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const class std::basic_string<char> &) –> void

set_res1(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::set_res1(const unsigned long) –> void

set_res2(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::set_res2(const unsigned long) –> void

set_scoretype(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::set_scoretype(const unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const class std::basic_string<char> &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash¶

Bases: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler

///// WorkUnit loophash

__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.mpi_refinement.WorkUnit_LoopHash) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, arg0: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, arg0: int, arg1: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, arg0: int, arg1: int, arg2: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, start_ir: int, end_ir: int, ssid: int, is_global: int) -> None
__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, arg0: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash) -> 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_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::operator=(const class protocols::mpi_refinement::WorkUnit_LoopHash &) –> class protocols::mpi_refinement::WorkUnit_LoopHash &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, : int) → None¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(class std::basic_ostream<char> &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash) → None¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_end(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, end_ir: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::set_end(unsigned long) –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_global(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, is_global: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::set_global(unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const class std::basic_string<char> &) –> void

set_ssid(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, ssid: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::set_ssid(unsigned long) –> void

set_start(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, start_ir: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::set_start(unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const class std::basic_string<char> &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD¶

Bases: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler

///// WorkUnit MD

__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.mpi_refinement.WorkUnit_MD) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, arg0: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, arg0: int, arg1: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, arg0: int, arg1: int, arg2: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, arg0: int, arg1: int, arg2: int, arg3: float) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, relaxtype: int, scoretype: int, nstruct: int, cstweight: float, looponly: bool) -> None
__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, arg0: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD) -> 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_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD¶: C++: protocols::mpi_refinement::WorkUnit_MD::operator=(const class protocols::mpi_refinement::WorkUnit_MD &) –> class protocols::mpi_refinement::WorkUnit_MD &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_MD::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(class std::basic_ostream<char> &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD) → None¶: C++: protocols::mpi_refinement::WorkUnit_MD::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_cstweight(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, setting: float) → None¶: C++: protocols::mpi_refinement::WorkUnit_MD::set_cstweight(const double) –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_nstruct(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_MD::set_nstruct(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const class std::basic_string<char> &) –> void

set_relaxtype(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_MD::set_relaxtype(const unsigned long) –> void

set_scoretype(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_MD::set_scoretype(const unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const class std::basic_string<char> &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode¶

Bases: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler

///// WorkUnit NormalMode

__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.mpi_refinement.WorkUnit_NormalMode) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode, arg0: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode, arg0: int, arg1: int) -> None

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__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode, arg0: int, arg1: int, arg2: int) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode, nmodes: int, nmtype: int, relaxtype: int, maxscale: float) -> None
__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode, arg0: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode) -> 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_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode¶: C++: protocols::mpi_refinement::WorkUnit_NormalMode::operator=(const class protocols::mpi_refinement::WorkUnit_NormalMode &) –> class protocols::mpi_refinement::WorkUnit_NormalMode &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_NormalMode::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode, : int) → None¶: C++: protocols::mpi_refinement::WorkUnit_NormalMode::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(class std::basic_ostream<char> &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode) → None¶: C++: protocols::mpi_refinement::WorkUnit_NormalMode::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const class std::basic_string<char> &) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const class std::basic_string<char> &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio¶

Bases: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler

///// WorkUnit PartialAbinitio

__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.mpi_refinement.WorkUnit_PartialAbinitio) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio, arg0: int) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio, nsteps: int, reconstruct: bool) -> None
__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio, arg0: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio) -> 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_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::operator=(const class protocols::mpi_refinement::WorkUnit_PartialAbinitio &) –> class protocols::mpi_refinement::WorkUnit_PartialAbinitio &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(class std::basic_ostream<char> &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio) → None¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_nsteps(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::set_nsteps(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const class std::basic_string<char> &) –> void

set_reconstruct(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::set_reconstruct(const unsigned long) –> void

set_res1(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::set_res1(const unsigned long) –> void

set_res2(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::set_res2(const unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const class std::basic_string<char> &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber¶

Bases: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler

///// WorkUnit RamaPerturber

__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.mpi_refinement.WorkUnit_RamaPerturber) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, arg0: int) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, arg0: int, arg1: int) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, arg0: int, arg1: int, arg2: int) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, nsteps: int, res1: int, res2: int, kT: float) -> None
__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, arg0: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber) -> 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_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::operator=(const class protocols::mpi_refinement::WorkUnit_RamaPerturber &) –> class protocols::mpi_refinement::WorkUnit_RamaPerturber &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, : int) → None¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(class std::basic_ostream<char> &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber) → None¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_kT(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, setting: float) → None¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::set_kT(const double) –> void

set_nsteps(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::set_nsteps(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const class std::basic_string<char> &) –> void

set_res1(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::set_res1(const unsigned long) –> void

set_res2(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::set_res2(const unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const class std::basic_string<char> &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax¶

Bases: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler

///// WorkUnit Relax

__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.mpi_refinement.WorkUnit_Relax) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, arg0: int) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, arg0: int, arg1: int) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, arg0: int, arg1: int, arg2: int) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, relaxtype: int, scoretype: int, nrepeat: int, cstweight: float) -> None
__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, arg0: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax) -> 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_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax¶: C++: protocols::mpi_refinement::WorkUnit_Relax::operator=(const class protocols::mpi_refinement::WorkUnit_Relax &) –> class protocols::mpi_refinement::WorkUnit_Relax &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_Relax::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(class std::basic_ostream<char> &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax) → None¶: C++: protocols::mpi_refinement::WorkUnit_Relax::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_cstweight(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, setting: float) → None¶: C++: protocols::mpi_refinement::WorkUnit_Relax::set_cstweight(const double) –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_nrepeat(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Relax::set_nrepeat(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const class std::basic_string<char> &) –> void

set_relaxtype(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Relax::set_relaxtype(const unsigned long) –> void

set_scoretype(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Relax::set_scoretype(const unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const class std::basic_string<char> &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss¶

Bases: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler

///// WorkUnit bbGauss

__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.mpi_refinement.WorkUnit_bbGauss) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, arg0: int) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, arg0: int, arg1: float) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, arg0: int, arg1: float, arg2: bool) -> None

doc

__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, nstruct: int, kT: float, centroid: bool, on_defined_segment: bool) -> None
__init__(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, arg0: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss) -> 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_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::operator=(const class protocols::mpi_refinement::WorkUnit_bbGauss &) –> class protocols::mpi_refinement::WorkUnit_bbGauss &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(class std::basic_ostream<char> &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss) → None¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_centroid(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::set_centroid(unsigned long) –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_kT(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, setting: float) → None¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::set_kT(const double) –> void

set_nstruct(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::set_nstruct(unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const class std::basic_string<char> &) –> void

set_segdef(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::set_segdef(unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const class std::basic_string<char> &) –> void

pyrosetta.rosetta.protocols.mpi_refinement.Zscore_to_library(*args, **kwargs)¶

Overloaded function.

Zscore_to_library(score: float, mean: float, stdev: float) -> float
Zscore_to_library(score: float, mean: float, stdev: float, maxval: float) -> float
Zscore_to_library(score: float, mean: float, stdev: float, maxval: float, minval: float) -> float

C++: protocols::mpi_refinement::Zscore_to_library(const double, const double, const double, const double, const double) –> double

pyrosetta.rosetta.protocols.mpi_refinement.add_init_dev_penalty(*args, **kwargs)¶

Overloaded function.

add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, init_xyz: ObjexxFCL::FArray2D<double>) -> None
add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, init_xyz: ObjexxFCL::FArray2D<double>, mode: str) -> None
add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, init_xyz: ObjexxFCL::FArray2D<double>, mode: str, iha_cut: float) -> None
add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, init_xyz: ObjexxFCL::FArray2D<double>, mode: str, iha_cut: float, iha_penalty_slope: float) -> None

C++: protocols::mpi_refinement::add_init_dev_penalty(class std::shared_ptr<class core::io::silent::SilentStruct>, const class ObjexxFCL::FArray2D<double>, const class std::basic_string<char>, const double, const double) –> void

add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, pose0: pyrosetta.rosetta.core.pose.Pose) -> None
add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, pose0: pyrosetta.rosetta.core.pose.Pose, mode: str) -> None
add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, pose0: pyrosetta.rosetta.core.pose.Pose, mode: str, iha_cut: float) -> None
add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, pose0: pyrosetta.rosetta.core.pose.Pose, mode: str, iha_cut: float, iha_penalty_slope: float) -> None

C++: protocols::mpi_refinement::add_init_dev_penalty(class std::shared_ptr<class core::io::silent::SilentStruct>, const class core::pose::Pose, const class std::basic_string<char>, const double, const double) –> void

add_init_dev_penalty(structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, pose0: pyrosetta.rosetta.core.pose.Pose) -> None
add_init_dev_penalty(structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, pose0: pyrosetta.rosetta.core.pose.Pose, mode: str) -> None
add_init_dev_penalty(structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, pose0: pyrosetta.rosetta.core.pose.Pose, mode: str, iha_cut: float) -> None
add_init_dev_penalty(structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, pose0: pyrosetta.rosetta.core.pose.Pose, mode: str, iha_cut: float, iha_penalty_slope: float) -> None

C++: protocols::mpi_refinement::add_init_dev_penalty(class protocols::wum::SilentStructStore &, const class core::pose::Pose, const class std::basic_string<char>, const double, const double) –> void

pyrosetta.rosetta.protocols.mpi_refinement.add_movemap_from_loopres(mm: pyrosetta.rosetta.core.kinematics.MoveMap, pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, nonideal: bool) → None¶: C++: protocols::mpi_refinement::add_movemap_from_loopres(class core::kinematics::MoveMap &, const class core::pose::Pose &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> >, const bool) –> void

pyrosetta.rosetta.protocols.mpi_refinement.add_poseinfo_to_ss(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, ref_pose: pyrosetta.rosetta.core.pose.Pose, suffix: str) → None¶: C++: protocols::mpi_refinement::add_poseinfo_to_ss(class core::io::silent::SilentStruct &, const class core::pose::Pose &, const class std::basic_string<char> &) –> void

pyrosetta.rosetta.protocols.mpi_refinement.constrain_residue(*args, **kwargs)¶

Overloaded function.

constrain_residue(pose: pyrosetta.rosetta.core.pose.Pose, resno: int, exclres: pyrosetta.rosetta.utility.vector1_unsigned_long) -> None
constrain_residue(pose: pyrosetta.rosetta.core.pose.Pose, resno: int, exclres: pyrosetta.rosetta.utility.vector1_unsigned_long, cst_type: str) -> None
constrain_residue(pose: pyrosetta.rosetta.core.pose.Pose, resno: int, exclres: pyrosetta.rosetta.utility.vector1_unsigned_long, cst_type: str, stdev: float) -> None

C++: protocols::mpi_refinement::constrain_residue(class core::pose::Pose &, const unsigned long, const class utility::vector1<unsigned long, class std::allocator<unsigned long> >, const class std::basic_string<char> &, const double) –> void

pyrosetta.rosetta.protocols.mpi_refinement.copy_pose_crd(pose_frame: pyrosetta.rosetta.core.pose.Pose, pose_work: pyrosetta.rosetta.core.pose.Pose, loopregions: pyrosetta.rosetta.utility.vector1_utility_vector1_unsigned_long_std_allocator_unsigned_long_t) → None¶: C++: protocols::mpi_refinement::copy_pose_crd(const class core::pose::Pose, class core::pose::Pose &, const class utility::vector1<class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class std::allocator<class utility::vector1<unsigned long, class std::allocator<unsigned long> > > >) –> void

pyrosetta.rosetta.protocols.mpi_refinement.distance(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, similarity_measure: str, superimpose: bool) → float¶: C++: protocols::mpi_refinement::distance(class std::shared_ptr<class core::io::silent::SilentStruct>, class std::shared_ptr<class core::io::silent::SilentStruct>, const class std::basic_string<char>, const bool) –> double

pyrosetta.rosetta.protocols.mpi_refinement.get_loop_info(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, res1: int, res2: int, is_terminus: bool) → None¶: C++: protocols::mpi_refinement::get_loop_info(class std::shared_ptr<class core::io::silent::SilentStruct>, unsigned long &, unsigned long &, bool &) –> void

pyrosetta.rosetta.protocols.mpi_refinement.get_loop_info_full(*args, **kwargs)¶

Overloaded function.

get_loop_info_full(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, is_terminus: pyrosetta.rosetta.utility.vector1_bool) -> pyrosetta.rosetta.utility.vector1_std_pair_unsigned_long_unsigned_long_t
get_loop_info_full(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, is_terminus: pyrosetta.rosetta.utility.vector1_bool, mode: str) -> pyrosetta.rosetta.utility.vector1_std_pair_unsigned_long_unsigned_long_t

C++: protocols::mpi_refinement::get_loop_info_full(class std::shared_ptr<class core::io::silent::SilentStruct>, class utility::vector1<bool, class std::allocator<bool> > &, class std::basic_string<char>) –> class utility::vector1<struct std::pair<unsigned long, unsigned long>, class std::allocator<struct std::pair<unsigned long, unsigned long> > >

pyrosetta.rosetta.protocols.mpi_refinement.get_touched_res(*args, **kwargs)¶

Overloaded function.

get_touched_res(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long) -> pyrosetta.rosetta.utility.vector1_unsigned_long
get_touched_res(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, dist_cut: float) -> pyrosetta.rosetta.utility.vector1_unsigned_long

C++: protocols::mpi_refinement::get_touched_res(const class core::pose::Pose, const class utility::vector1<unsigned long, class std::allocator<unsigned long> >, double) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >

pyrosetta.rosetta.protocols.mpi_refinement.loopstring_to_loopregions(loopstr: str) → pyrosetta.rosetta.utility.vector1_utility_vector1_unsigned_long_std_allocator_unsigned_long_t¶: C++: protocols::mpi_refinement::loopstring_to_loopregions(const class std::basic_string<char> &) –> class utility::vector1<class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class std::allocator<class utility::vector1<unsigned long, class std::allocator<unsigned long> > > >

pyrosetta.rosetta.protocols.mpi_refinement.loopstring_to_loopvector(*args, **kwargs)¶

Overloaded function.

loopstring_to_loopvector(loopstr: str) -> pyrosetta.rosetta.utility.vector1_unsigned_long
loopstring_to_loopvector(loopstr: str, ext: int) -> pyrosetta.rosetta.utility.vector1_unsigned_long

C++: protocols::mpi_refinement::loopstring_to_loopvector(const class std::basic_string<char> &, const unsigned long) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >

pyrosetta.rosetta.protocols.mpi_refinement.mean_and_stdev(values: pyrosetta.rosetta.utility.vector1_double, frac: float, shave_cut: float, mean: float, stdev: float) → None¶: C++: protocols::mpi_refinement::mean_and_stdev(class utility::vector1<double, class std::allocator<double> >, const double, double &, double &, double &) –> void

pyrosetta.rosetta.protocols.mpi_refinement.ramp_minpack_loop(*args, **kwargs)¶

Overloaded function.

ramp_minpack_loop(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
ramp_minpack_loop(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, nonideal: bool) -> None
ramp_minpack_loop(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, nonideal: bool, ramp: bool) -> None
ramp_minpack_loop(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, nonideal: bool, ramp: bool, efficient: bool) -> None
ramp_minpack_loop(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, nonideal: bool, ramp: bool, efficient: bool, envmin: bool) -> None

C++: protocols::mpi_refinement::ramp_minpack_loop(class core::pose::Pose &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class std::shared_ptr<const class core::scoring::ScoreFunction>, const bool, const bool, const bool, const bool) –> void

pyrosetta.rosetta.protocols.mpi_refinement.ramp_minpack_pose(*args, **kwargs)¶

Overloaded function.

ramp_minpack_pose(pose: pyrosetta.rosetta.core.pose.Pose, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
ramp_minpack_pose(pose: pyrosetta.rosetta.core.pose.Pose, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, nonideal: bool) -> None
ramp_minpack_pose(pose: pyrosetta.rosetta.core.pose.Pose, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, nonideal: bool, ramp: bool) -> None

C++: protocols::mpi_refinement::ramp_minpack_pose(class core::pose::Pose &, class std::shared_ptr<const class core::scoring::ScoreFunction>, const bool, const bool) –> void

pyrosetta.rosetta.protocols.mpi_refinement.read_ss2(ssfile: str) → pyrosetta.rosetta.std.map_unsigned_long_utility_vector1_double_std_allocator_double_t¶: C++: protocols::mpi_refinement::read_ss2(class std::basic_string<char>) –> class std::map<unsigned long, class utility::vector1<double, class std::allocator<double> >, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class utility::vector1<double, class std::allocator<double> > > > >

pyrosetta.rosetta.protocols.mpi_refinement.setup_packer(pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → pyrosetta.rosetta.protocols.simple_moves.PackRotamersMover¶: C++: protocols::mpi_refinement::setup_packer(const class core::pose::Pose &, const class core::kinematics::MoveMap, class std::shared_ptr<const class core::scoring::ScoreFunction>) –> class std::shared_ptr<class protocols::simple_moves::PackRotamersMover>

pyrosetta.rosetta.protocols.mpi_refinement.superimpose_all(*args, **kwargs)¶

Overloaded function.

superimpose_all(ss_ref: pyrosetta.rosetta.core.io.silent.SilentStruct, structs: pyrosetta.rosetta.protocols.wum.SilentStructStore) -> None
superimpose_all(ss_ref: pyrosetta.rosetta.core.io.silent.SilentStruct, structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, columns_copy: pyrosetta.rosetta.utility.vector1_std_string) -> None

C++: protocols::mpi_refinement::superimpose_all(class std::shared_ptr<const class core::io::silent::SilentStruct>, class protocols::wum::SilentStructStore &, const class utility::vector1<class std::basic_string<char>, class std::allocator<class std::basic_string<char> > >) –> void