sc

Bindings for core::scoring::sc namespace

class pyrosetta.rosetta.core.scoring.sc.Atom

Bases: xyzVector_float_t

property access

assign(*args, **kwargs)

Overloaded function.

1. assign(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::operator=(const class numeric::xyzVector<float> &) –> class numeric::xyzVector<float> &

2. assign(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: numeric::xyzVector<double>) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::operator=(const class numeric::xyzVector<double> &) –> class numeric::xyzVector<float> &

3. assign(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::operator=(const class numeric::xyzVector<float> &) –> class numeric::xyzVector<float> &

4. assign(self: pyrosetta.rosetta.numeric.xyzVector_float_t, t: float) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::operator=(const float &) –> class numeric::xyzVector<float> &

5. assign(self: pyrosetta.rosetta.numeric.xyzVector_float_t, x_a: float, y_a: float, z_a: float) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::assign(const float &, const float &, const float &) –> class numeric::xyzVector<float> &

property atom_type_radius

property atten

property buried

clear(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::clear() –> class numeric::xyzVector<float> &

cross(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::cross(const class numeric::xyzVector<float> &) const –> class numeric::xyzVector<float>

cross_product(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::cross_product(const class numeric::xyzVector<float> &) const –> class numeric::xyzVector<float>

property density

distance(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → float

C++: numeric::xyzVector<float>::distance(const class numeric::xyzVector<float> &) const –> float

distance_squared(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → float

C++: numeric::xyzVector<float>::distance_squared(const class numeric::xyzVector<float> &) const –> float

dot(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → float

C++: numeric::xyzVector<float>::dot(const class numeric::xyzVector<float> &) const –> float

dot_product(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → float

C++: numeric::xyzVector<float>::dot_product(const class numeric::xyzVector<float> &) const –> float

equal_length(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → bool

C++: numeric::xyzVector<float>::equal_length(const class numeric::xyzVector<float> &) –> bool

inner_product(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → float

C++: numeric::xyzVector<float>::inner_product(const class numeric::xyzVector<float> &) const –> float

is_finite(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → bool

C++: numeric::xyzVector<float>::is_finite() const –> bool

is_normalized(*args, **kwargs)

Overloaded function.

1. is_normalized(self: pyrosetta.rosetta.numeric.xyzVector_float_t) -> bool

C++: numeric::xyzVector<float>::is_normalized() const –> bool

2. is_normalized(self: pyrosetta.rosetta.numeric.xyzVector_float_t, tol: float) -> bool

C++: numeric::xyzVector<float>::is_normalized(const float &) const –> bool

is_unit(*args, **kwargs)

Overloaded function.

1. is_unit(self: pyrosetta.rosetta.numeric.xyzVector_float_t) -> bool

C++: numeric::xyzVector<float>::is_unit() const –> bool

2. is_unit(self: pyrosetta.rosetta.numeric.xyzVector_float_t, tol: float) -> bool

C++: numeric::xyzVector<float>::is_unit(const float &) const –> bool

is_zero(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → bool

C++: numeric::xyzVector<float>::is_zero() const –> bool

length(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → float

C++: numeric::xyzVector<float>::length() const –> float

length_squared(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → float

C++: numeric::xyzVector<float>::length_squared() const –> float

longer(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → bool

C++: numeric::xyzVector<float>::longer(const class numeric::xyzVector<float> &) –> bool

longer_or_equal(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → bool

C++: numeric::xyzVector<float>::longer_or_equal(const class numeric::xyzVector<float> &) –> bool

magnitude(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → float

C++: numeric::xyzVector<float>::magnitude() const –> float

magnitude_squared(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → float

C++: numeric::xyzVector<float>::magnitude_squared() const –> float

max(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::max(const class numeric::xyzVector<float> &) –> class numeric::xyzVector<float> &

maximum_value(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → float

C++: numeric::xyzVector<float>::maximum_value() const –> float

min(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::min(const class numeric::xyzVector<float> &) –> class numeric::xyzVector<float> &

minimum_value(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → float

C++: numeric::xyzVector<float>::minimum_value() const –> float

property molecule

property natom

negate(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::negate() –> class numeric::xyzVector<float> &

negated(*args, **kwargs)

Overloaded function.

1. negated(self: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::negated() const –> class numeric::xyzVector<float>

2. negated(self: pyrosetta.rosetta.numeric.xyzVector_float_t, a: pyrosetta.rosetta.numeric.xyzVector_float_t) -> None

C++: numeric::xyzVector<float>::negated(class numeric::xyzVector<float> &) const –> void

property neighbors

norm(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → float

C++: numeric::xyzVector<float>::norm() const –> float

norm_squared(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → float

C++: numeric::xyzVector<float>::norm_squared() const –> float

normalize(*args, **kwargs)

Overloaded function.

1. normalize(self: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::normalize() –> class numeric::xyzVector<float> &

2. normalize(self: pyrosetta.rosetta.numeric.xyzVector_float_t, length_a: float) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::normalize(const float &) –> class numeric::xyzVector<float> &

normalize_any(*args, **kwargs)

Overloaded function.

1. normalize_any(self: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::normalize_any() –> class numeric::xyzVector<float> &

2. normalize_any(self: pyrosetta.rosetta.numeric.xyzVector_float_t, length_a: float) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::normalize_any(const float &) –> class numeric::xyzVector<float> &

normalize_or_zero(*args, **kwargs)

Overloaded function.

1. normalize_or_zero(self: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::normalize_or_zero() –> class numeric::xyzVector<float> &

2. normalize_or_zero(self: pyrosetta.rosetta.numeric.xyzVector_float_t, length_a: float) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::normalize_or_zero(const float &) –> class numeric::xyzVector<float> &

normalized(*args, **kwargs)

Overloaded function.

1. normalized(self: pyrosetta.rosetta.numeric.xyzVector_float_t, a: pyrosetta.rosetta.numeric.xyzVector_float_t) -> None

C++: numeric::xyzVector<float>::normalized(class numeric::xyzVector<float> &) const –> void

2. normalized(self: pyrosetta.rosetta.numeric.xyzVector_float_t, length_a: float, a: pyrosetta.rosetta.numeric.xyzVector_float_t) -> None

C++: numeric::xyzVector<float>::normalized(const float &, class numeric::xyzVector<float> &) const –> void

3. normalized(self: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::normalized() const –> class numeric::xyzVector<float>

4. normalized(self: pyrosetta.rosetta.numeric.xyzVector_float_t, length_a: float) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::normalized(const float &) const –> class numeric::xyzVector<float>

normalized_any(*args, **kwargs)

Overloaded function.

1. normalized_any(self: pyrosetta.rosetta.numeric.xyzVector_float_t, a: pyrosetta.rosetta.numeric.xyzVector_float_t) -> None

C++: numeric::xyzVector<float>::normalized_any(class numeric::xyzVector<float> &) const –> void

2. normalized_any(self: pyrosetta.rosetta.numeric.xyzVector_float_t, length_a: float, a: pyrosetta.rosetta.numeric.xyzVector_float_t) -> None

C++: numeric::xyzVector<float>::normalized_any(const float &, class numeric::xyzVector<float> &) const –> void

3. normalized_any(self: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::normalized_any() const –> class numeric::xyzVector<float>

4. normalized_any(self: pyrosetta.rosetta.numeric.xyzVector_float_t, length_a: float) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::normalized_any(const float &) const –> class numeric::xyzVector<float>

normalized_or_zero(*args, **kwargs)

Overloaded function.

1. normalized_or_zero(self: pyrosetta.rosetta.numeric.xyzVector_float_t, a: pyrosetta.rosetta.numeric.xyzVector_float_t) -> None

C++: numeric::xyzVector<float>::normalized_or_zero(class numeric::xyzVector<float> &) const –> void

2. normalized_or_zero(self: pyrosetta.rosetta.numeric.xyzVector_float_t, length_a: float, a: pyrosetta.rosetta.numeric.xyzVector_float_t) -> None

C++: numeric::xyzVector<float>::normalized_or_zero(const float &, class numeric::xyzVector<float> &) const –> void

3. normalized_or_zero(self: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::normalized_or_zero() const –> class numeric::xyzVector<float>

4. normalized_or_zero(self: pyrosetta.rosetta.numeric.xyzVector_float_t, length_a: float) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::normalized_or_zero(const float &) const –> class numeric::xyzVector<float>

not_equal_length(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → bool

C++: numeric::xyzVector<float>::not_equal_length(const class numeric::xyzVector<float> &) –> bool

property nresidue

project_normal(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::project_normal(const class numeric::xyzVector<float> &) –> class numeric::xyzVector<float> &

project_parallel(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::project_parallel(const class numeric::xyzVector<float> &) –> class numeric::xyzVector<float> &

projected_normal(*args, **kwargs)

Overloaded function.

1. projected_normal(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::projected_normal(const class numeric::xyzVector<float> &) const –> class numeric::xyzVector<float>

2. projected_normal(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t, a: pyrosetta.rosetta.numeric.xyzVector_float_t) -> None

C++: numeric::xyzVector<float>::projected_normal(const class numeric::xyzVector<float> &, class numeric::xyzVector<float> &) const –> void

projected_parallel(*args, **kwargs)

Overloaded function.

1. projected_parallel(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) -> pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::projected_parallel(const class numeric::xyzVector<float> &) const –> class numeric::xyzVector<float>

2. projected_parallel(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t, a: pyrosetta.rosetta.numeric.xyzVector_float_t) -> None

C++: numeric::xyzVector<float>::projected_parallel(const class numeric::xyzVector<float> &, class numeric::xyzVector<float> &) –> void

property radius

shorter(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → bool

C++: numeric::xyzVector<float>::shorter(const class numeric::xyzVector<float> &) –> bool

shorter_or_equal(self: pyrosetta.rosetta.numeric.xyzVector_float_t, v: pyrosetta.rosetta.numeric.xyzVector_float_t) → bool

C++: numeric::xyzVector<float>::shorter_or_equal(const class numeric::xyzVector<float> &) –> bool

to_string(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → str

C++: numeric::xyzVector<float>::to_string() const –> std::string

property x

property y

property z

zero(self: pyrosetta.rosetta.numeric.xyzVector_float_t) → pyrosetta.rosetta.numeric.xyzVector_float_t

C++: numeric::xyzVector<float>::zero() –> class numeric::xyzVector<float> &

class pyrosetta.rosetta.core.scoring.sc.ContactMolecularSurfaceCalculator

Bases: 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(*args, **kwargs)

Overloaded function.

1. AddResidue(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule: int, residue: pyrosetta.rosetta.core.conformation.Residue) -> int

2. AddResidue(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule: int, residue: pyrosetta.rosetta.core.conformation.Residue, apolar_only: bool) -> int

C++: core::scoring::sc::MolecularSurfaceCalculator::AddResidue(int, const class core::conformation::Residue &, bool) –> unsigned long

Calc(*args, **kwargs)

Overloaded function.

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

2. 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

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

Generate molecular surfaces for loaded atoms. //

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

CalcContactArea(self: pyrosetta.rosetta.core.scoring.sc.ContactMolecularSurfaceCalculator) → float

C++: core::scoring::sc::ContactMolecularSurfaceCalculator::CalcContactArea() –> float

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 &

GetTrimmedDots(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, moleculeid: int) → pyrosetta.rosetta.std.vector_const_core_scoring_sc__DOT_*

C++: core::scoring::sc::MolecularSurfaceCalculator::GetTrimmedDots(const int) –> const class std::vector<const struct core::scoring::sc::_DOT *, class std::allocator<const struct core::scoring::sc::_DOT *> > &

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.ContactMolecularSurfaceCalculator, : pyrosetta.rosetta.core.scoring.sc.ContactMolecularSurfaceCalculator) → pyrosetta.rosetta.core.scoring.sc.ContactMolecularSurfaceCalculator

C++: core::scoring::sc::ContactMolecularSurfaceCalculator::operator=(const class core::scoring::sc::ContactMolecularSurfaceCalculator &) –> class core::scoring::sc::ContactMolecularSurfaceCalculator &

class pyrosetta.rosetta.core.scoring.sc.ElectrostaticComplementarityCalculator

Bases: pybind11_object

AddResidue(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticComplementarityCalculator, pose: pyrosetta.rosetta.core.pose.Pose, molecule: int, seqpos: int) → int

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

Calc(*args, **kwargs)

Overloaded function.

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

C++: core::scoring::sc::ElectrostaticComplementarityCalculator::Calc(const class core::pose::Pose &) –> int

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

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

GetResults(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticComplementarityCalculator) → pyrosetta.rosetta.core.scoring.sc.ElectrostaticComplementarityResults

C++: core::scoring::sc::ElectrostaticComplementarityCalculator::GetResults() –> const struct core::scoring::sc::ElectrostaticComplementarityResults &

Init(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticComplementarityCalculator, pose: pyrosetta.rosetta.core.pose.Pose) → int

C++: core::scoring::sc::ElectrostaticComplementarityCalculator::Init(const class core::pose::Pose &) –> int

Reset(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticComplementarityCalculator) → None

C++: core::scoring::sc::ElectrostaticComplementarityCalculator::Reset() –> void

ignore_radius(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticComplementarityCalculator, ignore_radius: float) → None

C++: core::scoring::sc::ElectrostaticComplementarityCalculator::ignore_radius(double) –> void

interface_trim_radius(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticComplementarityCalculator, interface_trim_radius: float) → None

C++: core::scoring::sc::ElectrostaticComplementarityCalculator::interface_trim_radius(double) –> void

partially_solvated(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticComplementarityCalculator, partially_solvated: bool) → None

C++: core::scoring::sc::ElectrostaticComplementarityCalculator::partially_solvated(bool) –> void

class pyrosetta.rosetta.core.scoring.sc.ElectrostaticComplementarityResults

Bases: pybind11_object

property ec_0_p

property ec_0_s

property ec_1_p

property ec_1_s

property polarity_avg0

property polarity_avg1

property polarity_mag_avg0

property polarity_mag_avg1

class pyrosetta.rosetta.core.scoring.sc.ElectrostaticSimilarityCalculator

Bases: pybind11_object

AddResidue(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticSimilarityCalculator, pose: pyrosetta.rosetta.core.pose.Pose, molecule: int, seqpos: int) → int

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

Calc(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticSimilarityCalculator, pose: pyrosetta.rosetta.core.pose.Pose) → int

C++: core::scoring::sc::ElectrostaticSimilarityCalculator::Calc(const class core::pose::Pose &) –> int

GetResults(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticSimilarityCalculator) → pyrosetta.rosetta.core.scoring.sc.ElectrostaticSimilarityResults

C++: core::scoring::sc::ElectrostaticSimilarityCalculator::GetResults() –> const struct core::scoring::sc::ElectrostaticSimilarityResults &

Init(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticSimilarityCalculator) → int

C++: core::scoring::sc::ElectrostaticSimilarityCalculator::Init() –> int

Reset(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticSimilarityCalculator) → None

C++: core::scoring::sc::ElectrostaticSimilarityCalculator::Reset() –> void

partially_solvated(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticSimilarityCalculator, partially_solvated: bool) → None

C++: core::scoring::sc::ElectrostaticSimilarityCalculator::partially_solvated(bool) –> void

reference_pose(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticSimilarityCalculator, reference_pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: core::scoring::sc::ElectrostaticSimilarityCalculator::reference_pose(class std::shared_ptr<const class core::pose::Pose>) –> void

selector1(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticSimilarityCalculator, selector1: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None

C++: core::scoring::sc::ElectrostaticSimilarityCalculator::selector1(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void

selector2(self: pyrosetta.rosetta.core.scoring.sc.ElectrostaticSimilarityCalculator, selector2: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None

C++: core::scoring::sc::ElectrostaticSimilarityCalculator::selector2(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void

class pyrosetta.rosetta.core.scoring.sc.ElectrostaticSimilarityResults

Bases: pybind11_object

property es_0_p

property es_0_s

property es_1_p

property es_1_s

property polarity_avg0

property polarity_avg1

property polarity_mag_avg0

property polarity_mag_avg1

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

Bases: 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(*args, **kwargs)

Overloaded function.

1. AddResidue(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule: int, residue: pyrosetta.rosetta.core.conformation.Residue) -> int

2. AddResidue(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule: int, residue: pyrosetta.rosetta.core.conformation.Residue, apolar_only: bool) -> int

C++: core::scoring::sc::MolecularSurfaceCalculator::AddResidue(int, const class core::conformation::Residue &, bool) –> unsigned long

Calc(*args, **kwargs)

Overloaded function.

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

2. 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

3. 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 &

GetTrimmedDots(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, moleculeid: int) → pyrosetta.rosetta.std.vector_const_core_scoring_sc__DOT_*

C++: core::scoring::sc::MolecularSurfaceCalculator::GetTrimmedDots(const int) –> const class std::vector<const struct core::scoring::sc::_DOT *, class std::allocator<const struct core::scoring::sc::_DOT *> > &

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: 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(*args, **kwargs)

Overloaded function.

1. AddResidue(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule: int, residue: pyrosetta.rosetta.core.conformation.Residue) -> int

2. AddResidue(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule: int, residue: pyrosetta.rosetta.core.conformation.Residue, apolar_only: bool) -> int

C++: core::scoring::sc::MolecularSurfaceCalculator::AddResidue(int, const class core::conformation::Residue &, bool) –> unsigned long

Calc(*args, **kwargs)

Overloaded function.

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

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

2. 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

static CalcSc(*args, **kwargs)

Overloaded function.

1. CalcSc(pose: pyrosetta.rosetta.core.pose.Pose) -> float

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

3. 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 &

GetTrimmedDots(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, moleculeid: int) → pyrosetta.rosetta.std.vector_const_core_scoring_sc__DOT_*

C++: core::scoring::sc::MolecularSurfaceCalculator::GetTrimmedDots(const int) –> const class std::vector<const struct core::scoring::sc::_DOT *, class std::allocator<const struct core::scoring::sc::_DOT *> > &

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: Exception

add_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) → None

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

crash_log(self: pyrosetta.rosetta.utility.excn.Exception) → None

Invoke a crash log for throwing this exception.

If your exception is one which is a “non-error” exception, override this function to do nothing.

C++: utility::excn::Exception::crash_log() const –> void

display(self: pyrosetta.rosetta.utility.excn.Exception) → None

Present this exception to the user.

Will invoke crash log reporting, if applicable

C++: utility::excn::Exception::display() const –> void

property error

file(self: pyrosetta.rosetta.utility.excn.Exception) → str

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

line(self: pyrosetta.rosetta.utility.excn.Exception) → int

C++: utility::excn::Exception::line() –> int

msg(*args, **kwargs)

Overloaded function.

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

Will return a formatted message (with file/line information)

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

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

Will set the raw message.

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

prepend_to_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) → None

C++: utility::excn::Exception::prepend_to_msg(const std::string &) –> void

raw_msg(self: pyrosetta.rosetta.utility.excn.Exception) → str

Will return the raw message (without file/line information)

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

show(self: pyrosetta.rosetta.utility.excn.Exception, : pyrosetta.rosetta.std.ostream) → None

C++: utility::excn::Exception::show(std::ostream &) const –> void

traceback(self: pyrosetta.rosetta.utility.excn.Exception) → str

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

what(self: pyrosetta.rosetta.std.exception) → str

C++: std::exception::what() const –> const char *

class pyrosetta.rosetta.core.scoring.sc.ShapeSimilarityCalculator

Bases: 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(*args, **kwargs)

Overloaded function.

1. AddResidue(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule: int, residue: pyrosetta.rosetta.core.conformation.Residue) -> int

2. AddResidue(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule: int, residue: pyrosetta.rosetta.core.conformation.Residue, apolar_only: bool) -> int

C++: core::scoring::sc::MolecularSurfaceCalculator::AddResidue(int, const class core::conformation::Residue &, bool) –> unsigned long

Calc(self: pyrosetta.rosetta.core.scoring.sc.ShapeSimilarityCalculator) → int

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

CalcSs(self: pyrosetta.rosetta.core.scoring.sc.ShapeSimilarityCalculator, pose: pyrosetta.rosetta.core.pose.Pose, native: pyrosetta.rosetta.core.pose.Pose, selector_pose: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector, selector_native: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → float

C++: core::scoring::sc::ShapeSimilarityCalculator::CalcSs(const class core::pose::Pose &, const class core::pose::Pose &, class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>, class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> 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 &

GetTrimmedDots(self: pyrosetta.rosetta.core.scoring.sc.MolecularSurfaceCalculator, moleculeid: int) → pyrosetta.rosetta.std.vector_const_core_scoring_sc__DOT_*

C++: core::scoring::sc::MolecularSurfaceCalculator::GetTrimmedDots(const int) –> const class std::vector<const struct core::scoring::sc::_DOT *, class std::allocator<const struct core::scoring::sc::_DOT *> > &

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.ShapeSimilarityCalculator, : pyrosetta.rosetta.core.scoring.sc.ShapeSimilarityCalculator) → pyrosetta.rosetta.core.scoring.sc.ShapeSimilarityCalculator

C++: core::scoring::sc::ShapeSimilarityCalculator::operator=(const class core::scoring::sc::ShapeSimilarityCalculator &) –> class core::scoring::sc::ShapeSimilarityCalculator &

property median

class pyrosetta.rosetta.core.scoring.sc._ATOM_RADIUS

Bases: pybind11_object

property radius

class pyrosetta.rosetta.core.scoring.sc._DOT

Bases: pybind11_object

property area

property buried

property coor

property outnml

property type

class pyrosetta.rosetta.core.scoring.sc._PROBE

Bases: pybind11_object

property alt

property height

property point

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

Bases: pybind11_object

property area

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 &

property distance

property nAtoms

property sc

property valid