sc¶

Bindings for core::scoring::sc namespace

class pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator¶

Bases: pybind11_builtins.pybind11_object

AddAtom(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule: int, atom: pyrosetta.rosetta.core.scoring.sc.Atom) → int¶: C++: core::scoring::sc::MolecularSurfaceCalculator::AddAtom(int, class core::scoring::sc::Atom &) –> int

AddResidue(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule: int, residue: pyrosetta.rosetta.core.conformation.Residue) → int¶: C++: core::scoring::sc::MolecularSurfaceCalculator::AddResidue(int, const class core::conformation::Residue &) –> unsigned long

Calc(*args, **kwargs)¶

Overloaded function.

Calc(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, pose: pyrosetta.rosetta.core.pose.Pose) -> int
Calc(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, pose: pyrosetta.rosetta.core.pose.Pose, jump_id: int) -> int

Generate molecular surfaces for the given pose. //

C++: core::scoring::sc::MolecularSurfaceCalculator::Calc(const class core::pose::Pose &, unsigned long) –> int

Calc(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator) -> int

Generate molecular surfaces for loaded atoms. //

C++: core::scoring::sc::MolecularSurfaceCalculator::Calc() –> int

GetAtoms(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator) → pyrosetta.rosetta.std.vector_core_scoring_sc_Atom¶: C++: core::scoring::sc::MolecularSurfaceCalculator::GetAtoms() –> const class std::vector<class core::scoring::sc::Atom, class std::allocator<class core::scoring::sc::Atom> > &

GetDots(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, moleculeid: int) → pyrosetta.rosetta.std.vector_core_scoring_sc__DOT¶: C++: core::scoring::sc::MolecularSurfaceCalculator::GetDots(const int) –> const class std::vector<struct core::scoring::sc::_DOT, class std::allocator<struct core::scoring::sc::_DOT> > &

GetResults(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator) → pyrosetta.rosetta.core.scoring.sc._RESULTS¶: C++: core::scoring::sc::MolecularSurfaceCalculator::GetResults() –> const struct core::scoring::sc::_RESULTS &

Init(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator) → int¶: C++: core::scoring::sc::MolecularSurfaceCalculator::Init() –> int

Reset(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator) → None¶: C++: core::scoring::sc::MolecularSurfaceCalculator::Reset() –> void

__delattr__¶: Implement delattr(self, name).

__dir__() → list¶: default dir() implementation

__eq__¶: Return self==value.

__format__()¶: default object formatter

__ge__¶: Return self>=value.

__getattribute__¶: Return getattr(self, name).

__gt__¶: Return self>value.

__hash__¶: Return hash(self).

__init__(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator) → None¶

__init_subclass__()¶

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__¶: Return self<=value.

__lt__¶: Return self<value.

__ne__¶: Return self!=value.

__new__()¶: Create and return a new object. See help(type) for accurate signature.

__reduce__()¶: helper for pickle

__reduce_ex__()¶: helper for pickle

__repr__¶: Return repr(self).

__setattr__¶: Implement setattr(self, name, value).

__sizeof__() → int¶: size of object in memory, in bytes

__str__¶: Return str(self).

__subclasshook__()¶

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

assign(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, : pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator) → pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator¶: C++: core::scoring::sc::MolecularSurfaceCalculator::operator=(const class core::scoring::sc::MolecularSurfaceCalculator &) –> class core::scoring::sc::MolecularSurfaceCalculator &

class pyrosetta.rosetta.core.scoring.sc.ShapeComplementarityCalculator¶

Bases: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator

AddAtom(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule: int, atom: pyrosetta.rosetta.core.scoring.sc.Atom) → int¶: C++: core::scoring::sc::MolecularSurfaceCalculator::AddAtom(int, class core::scoring::sc::Atom &) –> int

AddResidue(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule: int, residue: pyrosetta.rosetta.core.conformation.Residue) → int¶: C++: core::scoring::sc::MolecularSurfaceCalculator::AddResidue(int, const class core::conformation::Residue &) –> unsigned long

Calc(*args, **kwargs)¶

Overloaded function.

Calc(self: pyrosetta.rosetta.core.scoring.sc.ShapeComplementarityCalculator) -> int

C++: core::scoring::sc::ShapeComplementarityCalculator::Calc() –> int

Calc(self: pyrosetta.rosetta.core.scoring.sc.ShapeComplementarityCalculator, pose: pyrosetta.rosetta.core.pose.Pose, jump_id: int) -> int

C++: core::scoring::sc::ShapeComplementarityCalculator::Calc(const class core::pose::Pose &, unsigned long) –> int

CalcSc(*args, **kwargs)¶

Overloaded function.

CalcSc(pose: pyrosetta.rosetta.core.pose.Pose) -> float
CalcSc(pose: pyrosetta.rosetta.core.pose.Pose, jump_id: int) -> float
CalcSc(pose: pyrosetta.rosetta.core.pose.Pose, jump_id: int, quick: int) -> float

C++: core::scoring::sc::ShapeComplementarityCalculator::CalcSc(const class core::pose::Pose &, unsigned long, int) –> double

GetAtoms(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator) → pyrosetta.rosetta.std.vector_core_scoring_sc_Atom¶: C++: core::scoring::sc::MolecularSurfaceCalculator::GetAtoms() –> const class std::vector<class core::scoring::sc::Atom, class std::allocator<class core::scoring::sc::Atom> > &

GetDots(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, moleculeid: int) → pyrosetta.rosetta.std.vector_core_scoring_sc__DOT¶: C++: core::scoring::sc::MolecularSurfaceCalculator::GetDots(const int) –> const class std::vector<struct core::scoring::sc::_DOT, class std::allocator<struct core::scoring::sc::_DOT> > &

GetResults(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator) → pyrosetta.rosetta.core.scoring.sc._RESULTS¶: C++: core::scoring::sc::MolecularSurfaceCalculator::GetResults() –> const struct core::scoring::sc::_RESULTS &

Init(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator) → int¶: C++: core::scoring::sc::MolecularSurfaceCalculator::Init() –> int

Reset(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator) → None¶: C++: core::scoring::sc::MolecularSurfaceCalculator::Reset() –> void

__delattr__¶: Implement delattr(self, name).

__dir__() → list¶: default dir() implementation

__eq__¶: Return self==value.

__format__()¶: default object formatter

__ge__¶: Return self>=value.

__getattribute__¶: Return getattr(self, name).

__gt__¶: Return self>value.

__hash__¶: Return hash(self).

__init__(self: pyrosetta.rosetta.core.scoring.sc.ShapeComplementarityCalculator) → None¶

__init_subclass__()¶

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__¶: Return self<=value.

__lt__¶: Return self<value.

__ne__¶: Return self!=value.

__new__()¶: Create and return a new object. See help(type) for accurate signature.

__reduce__()¶: helper for pickle

__reduce_ex__()¶: helper for pickle

__repr__¶: Return repr(self).

__setattr__¶: Implement setattr(self, name, value).

__sizeof__() → int¶: size of object in memory, in bytes

__str__¶: Return str(self).

__subclasshook__()¶

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

assign(self: pyrosetta.rosetta.core.scoring.sc.ShapeComplementarityCalculator, : pyrosetta.rosetta.core.scoring.sc.ShapeComplementarityCalculator) → pyrosetta.rosetta.core.scoring.sc.ShapeComplementarityCalculator¶: C++: core::scoring::sc::ShapeComplementarityCalculator::operator=(const class core::scoring::sc::ShapeComplementarityCalculator &) –> class core::scoring::sc::ShapeComplementarityCalculator &

class pyrosetta.rosetta.core.scoring.sc.ShapeComplementarityCalculatorException¶

Bases: pyrosetta.rosetta.utility.excn.EXCN_Msg_Exception

__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.core.scoring.sc.ShapeComplementarityCalculatorException, err: str) -> None
__init__(self: pyrosetta.rosetta.core.scoring.sc.ShapeComplementarityCalculatorException, arg0: pyrosetta.rosetta.core.scoring.sc.ShapeComplementarityCalculatorException) -> None

__init_subclass__()¶

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__¶: Return self<=value.

__lt__¶: Return self<value.

__ne__¶: Return self!=value.

__new__()¶: Create and return a new object. See help(type) for accurate signature.

__reduce__()¶: helper for pickle

__reduce_ex__()¶: helper for pickle

__repr__¶: Return repr(self).

__setattr__¶: Implement setattr(self, name, value).

__sizeof__() → int¶: size of object in memory, in bytes

__str__(self: pyrosetta.rosetta.utility.excn.EXCN_Base) → str¶

__subclasshook__()¶

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

add_msg(self: pyrosetta.rosetta.utility.excn.EXCN_Msg_Exception, str: str) → None¶: C++: utility::excn::EXCN_Msg_Exception::add_msg(const class std::basic_string<char> &) –> void

assign(self: pyrosetta.rosetta.core.scoring.sc.ShapeComplementarityCalculatorException, : pyrosetta.rosetta.core.scoring.sc.ShapeComplementarityCalculatorException) → pyrosetta.rosetta.core.scoring.sc.ShapeComplementarityCalculatorException¶: C++: core::scoring::sc::ShapeComplementarityCalculatorException::operator=(const class core::scoring::sc::ShapeComplementarityCalculatorException &) –> class core::scoring::sc::ShapeComplementarityCalculatorException &

msg(self: pyrosetta.rosetta.utility.excn.EXCN_Msg_Exception) → str¶: C++: utility::excn::EXCN_Msg_Exception::msg() const –> const std::string

show(self: pyrosetta.rosetta.utility.excn.EXCN_Msg_Exception, : pyrosetta.rosetta.std.ostream) → None¶: C++: utility::excn::EXCN_Msg_Exception::show(class std::basic_ostream<char> &) const –> void

what(self: pyrosetta.rosetta.utility.excn.EXCN_Msg_Exception) → str¶: C++: utility::excn::EXCN_Msg_Exception::what() const –> const char *

class pyrosetta.rosetta.core.scoring.sc._RESULTS¶

Bases: pybind11_builtins.pybind11_object

__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.core.scoring.sc._RESULTS) -> None
__init__(self: pyrosetta.rosetta.core.scoring.sc._RESULTS, arg0: pyrosetta.rosetta.core.scoring.sc._RESULTS) -> None

__init_subclass__()¶

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__¶: Return self<=value.

__lt__¶: Return self<value.

__ne__¶: Return self!=value.

__new__()¶: Create and return a new object. See help(type) for accurate signature.

__reduce__()¶: helper for pickle

__reduce_ex__()¶: helper for pickle

__repr__¶: Return repr(self).

__setattr__¶: Implement setattr(self, name, value).

__sizeof__() → int¶: size of object in memory, in bytes

__str__¶: Return str(self).

__subclasshook__()¶

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

assign(self: pyrosetta.rosetta.core.scoring.sc._RESULTS, : pyrosetta.rosetta.core.scoring.sc._RESULTS) → pyrosetta.rosetta.core.scoring.sc._RESULTS¶: C++: core::scoring::sc::_RESULTS::operator=(const struct core::scoring::sc::_RESULTS &) –> struct core::scoring::sc::_RESULTS &

class pyrosetta.rosetta.core.scoring.sc.__ATTEN_ENUM__¶

Bases: pybind11_builtins.pybind11_object

__delattr__¶: Implement delattr(self, name).

__dir__() → list¶: default dir() implementation

__eq__(*args, **kwargs)¶

Overloaded function.

__eq__(self: pyrosetta.rosetta.core.scoring.sc.__ATTEN_ENUM__, arg0: pyrosetta.rosetta.core.scoring.sc.__ATTEN_ENUM__) -> bool
__eq__(self: pyrosetta.rosetta.core.scoring.sc.__ATTEN_ENUM__, arg0: int) -> bool

__format__()¶: default object formatter

__ge__¶: Return self>=value.

__getattribute__¶: Return getattr(self, name).

__getstate__(self: pyrosetta.rosetta.core.scoring.sc.__ATTEN_ENUM__) → tuple¶

__gt__¶: Return self>value.

__hash__(self: pyrosetta.rosetta.core.scoring.sc.__ATTEN_ENUM__) → int¶

__init__(self: pyrosetta.rosetta.core.scoring.sc.__ATTEN_ENUM__, arg0: int) → None¶

__init_subclass__()¶

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__int__(self: pyrosetta.rosetta.core.scoring.sc.__ATTEN_ENUM__) → int¶

__le__¶: Return self<=value.

__lt__¶: Return self<value.

__ne__(*args, **kwargs)¶

Overloaded function.

__ne__(self: pyrosetta.rosetta.core.scoring.sc.__ATTEN_ENUM__, arg0: pyrosetta.rosetta.core.scoring.sc.__ATTEN_ENUM__) -> bool
__ne__(self: pyrosetta.rosetta.core.scoring.sc.__ATTEN_ENUM__, arg0: int) -> bool

__new__()¶: Create and return a new object. See help(type) for accurate signature.

__reduce__()¶: helper for pickle

__reduce_ex__()¶: helper for pickle

__repr__(self: pyrosetta.rosetta.core.scoring.sc.__ATTEN_ENUM__) → str¶

__setattr__¶: Implement setattr(self, name, value).

__setstate__(self: pyrosetta.rosetta.core.scoring.sc.__ATTEN_ENUM__, arg0: tuple) → None¶

__sizeof__() → int¶: size of object in memory, in bytes

__str__¶: Return str(self).

__subclasshook__()¶

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).