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

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

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.Exception

add_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) → None¶: C++: utility::excn::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(*args, **kwargs)¶

Overloaded function.

msg(self: pyrosetta.rosetta.utility.excn.Exception) -> str

C++: utility::excn::Exception::msg() const –> std::string

msg(self: pyrosetta.rosetta.utility.excn.Exception, m: str) -> None

C++: utility::excn::Exception::msg(const class std::basic_string<char> &) –> void

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

what(self: pyrosetta.rosetta.std.exception) → str¶: C++: std::exception::what() const –> const char *

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

Bases: pybind11_builtins.pybind11_object

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 &