facts¶

Bindings for core::scoring::facts namespace

class pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo¶

Bases: CacheableData

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

being_packed(self: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo, seqpos: int) → bool¶: C++: core::scoring::facts::FACTSPoseInfo::being_packed(const unsigned long) const –> bool

property being_packed_¶

clone(self: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo) → pyrosetta.rosetta.basic.datacache.CacheableData¶: C++: core::scoring::facts::FACTSPoseInfo::clone() const –> class std::shared_ptr<class basic::datacache::CacheableData>

context_derivative_empty(self: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo) → bool¶: C++: core::scoring::facts::FACTSPoseInfo::context_derivative_empty() –> bool

property context_derivative_empty_¶

get_self_ptr(self: pyrosetta.rosetta.basic.datacache.CacheableData) → pyrosetta.rosetta.basic.datacache.CacheableData¶: C++: basic::datacache::CacheableData::get_self_ptr() –> class std::shared_ptr<class basic::datacache::CacheableData>

get_self_weak_ptr(self: pyrosetta.rosetta.basic.datacache.CacheableData) → pyrosetta.rosetta.std.weak_ptr_basic_datacache_CacheableData_t¶: C++: basic::datacache::CacheableData::get_self_weak_ptr() –> class std::weak_ptr<class basic::datacache::CacheableData>

initialize(self: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo, pose: pyrosetta.rosetta.core.pose.Pose, rsdtypemap: core::scoring::facts::FACTSRsdTypeMap) → None¶: C++: core::scoring::facts::FACTSPoseInfo::initialize(const class core::pose::Pose &, class core::scoring::facts::FACTSRsdTypeMap &) –> void

is_changed(self: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶: C++: core::scoring::facts::FACTSPoseInfo::is_changed(const class core::pose::Pose &) –> bool

placeholder_info(self: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo, seqpos: int) → core::scoring::facts::FACTSResidueInfo¶: C++: core::scoring::facts::FACTSPoseInfo::placeholder_info(const unsigned long) const –> const class core::scoring::facts::FACTSResidueInfo &

property placeholder_info_¶

placeholder_residue(self: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo, seqpos: int) → pyrosetta.rosetta.core.conformation.Residue¶: C++: core::scoring::facts::FACTSPoseInfo::placeholder_residue(const unsigned long) const –> const class core::conformation::Residue &

property placeholder_residue_¶

residue_info(self: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo, i: int) → core::scoring::facts::FACTSResidueInfo¶: C++: core::scoring::facts::FACTSPoseInfo::residue_info(const unsigned long) –> class core::scoring::facts::FACTSResidueInfo &

property residue_info_¶

set_placeholder(self: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo, i: int, rsd: pyrosetta.rosetta.core.conformation.Residue, info: core::scoring::facts::FACTSResidueInfo) → None¶: C++: core::scoring::facts::FACTSPoseInfo::set_placeholder(const unsigned long, class std::shared_ptr<class core::conformation::Residue>, class std::shared_ptr<class core::scoring::facts::FACTSResidueInfo>) –> void

set_repack_list(self: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo, repacking_residues: pyrosetta.rosetta.utility.vector1_bool) → None¶: C++: core::scoring::facts::FACTSPoseInfo::set_repack_list(const class utility::vector1<bool, class std::allocator<bool> > &) –> void

size(self: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo) → int¶: C++: core::scoring::facts::FACTSPoseInfo::size() const –> unsigned long

update_enumeration_shell(*args, **kwargs)¶

Overloaded function.

update_enumeration_shell(self: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo, pose: pyrosetta.rosetta.core.pose.Pose) -> None
update_enumeration_shell(self: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo, pose: pyrosetta.rosetta.core.pose.Pose, enumerate_second_shell: bool) -> None

C++: core::scoring::facts::FACTSPoseInfo::update_enumeration_shell(const class core::pose::Pose &, const bool) –> void

class pyrosetta.rosetta.core.scoring.facts.FACTSPotential¶

Bases: pybind11_object

eval_atom_nonpolar_derivative(self: pyrosetta.rosetta.core.scoring.facts.FACTSPotential, id: pyrosetta.rosetta.core.id.AtomID, weight: float, pose: pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.ObjexxFCL.FArray1D_int_t, : bool, F1: pyrosetta.rosetta.numeric.xyzVector_double_t, F2: pyrosetta.rosetta.numeric.xyzVector_double_t) → None¶: C++: core::scoring::facts::FACTSPotential::eval_atom_nonpolar_derivative(const class core::id::AtomID &, const double, const class core::pose::Pose &, const class ObjexxFCL::FArray1D<int> &, const bool, class numeric::xyzVector<double> &, class numeric::xyzVector<double> &) const –> void

eval_atom_polar_derivative(self: pyrosetta.rosetta.core.scoring.facts.FACTSPotential, id: pyrosetta.rosetta.core.id.AtomID, weight_elec: float, weight_solv: float, pose: pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.ObjexxFCL.FArray1D_int_t, : bool, F1: pyrosetta.rosetta.numeric.xyzVector_double_t, F2: pyrosetta.rosetta.numeric.xyzVector_double_t) → None¶: C++: core::scoring::facts::FACTSPotential::eval_atom_polar_derivative(const class core::id::AtomID &, const double, const double, const class core::pose::Pose &, const class ObjexxFCL::FArray1D<int> &, const bool, class numeric::xyzVector<double> &, class numeric::xyzVector<double> &) const –> void

evaluate_nonpolar_energy(self: pyrosetta.rosetta.core.scoring.facts.FACTSPotential, rsd1: pyrosetta.rosetta.core.conformation.Residue, facts1: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, rsd2: pyrosetta.rosetta.core.conformation.Residue) → float¶: C++: core::scoring::facts::FACTSPotential::evaluate_nonpolar_energy(const class core::conformation::Residue &, const class core::scoring::facts::FACTSResidueInfo &, const class core::conformation::Residue &) const –> double

evaluate_polar_energy(self: pyrosetta.rosetta.core.scoring.facts.FACTSPotential, rsd1: pyrosetta.rosetta.core.conformation.Residue, facts1: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, rsd2: pyrosetta.rosetta.core.conformation.Residue, E_elec: float, E_solv_self: float, E_solv_pair: float) → None¶: C++: core::scoring::facts::FACTSPotential::evaluate_polar_energy(const class core::conformation::Residue &, const class core::scoring::facts::FACTSResidueInfo &, const class core::conformation::Residue &, double &, double &, double &) const –> void

evaluate_polar_otf_energy(self: pyrosetta.rosetta.core.scoring.facts.FACTSPotential, rsd1: pyrosetta.rosetta.core.conformation.Residue, facts1: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, rsd2: pyrosetta.rosetta.core.conformation.Residue, facts2: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, E_elec: float, E_solv_self: float, E_solv_pair: float) → None¶: C++: core::scoring::facts::FACTSPotential::evaluate_polar_otf_energy(const class core::conformation::Residue &, const class core::scoring::facts::FACTSResidueInfo &, const class core::conformation::Residue &, const class core::scoring::facts::FACTSResidueInfo &, double &, double &, double &) const –> void

get_rotamers_born_radii(self: pyrosetta.rosetta.core.scoring.facts.FACTSPotential, pose: pyrosetta.rosetta.core.pose.Pose, rotamer_set: pyrosetta.rosetta.core.conformation.RotamerSetBase) → None¶: C++: core::scoring::facts::FACTSPotential::get_rotamers_born_radii(const class core::pose::Pose &, class core::conformation::RotamerSetBase &) const –> void

get_single_rotamer_born_radii(self: pyrosetta.rosetta.core.scoring.facts.FACTSPotential, rsd1: pyrosetta.rosetta.core.conformation.Residue, pose: pyrosetta.rosetta.core.pose.Pose, facts_info: pyrosetta.rosetta.core.scoring.facts.FACTSPoseInfo, facts1: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo) → None¶: C++: core::scoring::facts::FACTSPotential::get_single_rotamer_born_radii(const class core::conformation::Residue &, const class core::pose::Pose &, const class core::scoring::facts::FACTSPoseInfo &, class core::scoring::facts::FACTSResidueInfo &) const –> void

set_default(self: pyrosetta.rosetta.core.scoring.facts.FACTSPotential) → None¶: C++: core::scoring::facts::FACTSPotential::set_default() –> void

setup_for_derivatives(self: pyrosetta.rosetta.core.scoring.facts.FACTSPotential, pose: pyrosetta.rosetta.core.pose.Pose) → None¶: C++: core::scoring::facts::FACTSPotential::setup_for_derivatives(class core::pose::Pose &) const –> void

setup_for_packing(self: pyrosetta.rosetta.core.scoring.facts.FACTSPotential, pose: pyrosetta.rosetta.core.pose.Pose, repacking_residues: pyrosetta.rosetta.utility.vector1_bool) → None¶: C++: core::scoring::facts::FACTSPotential::setup_for_packing(class core::pose::Pose &, const class utility::vector1<bool, class std::allocator<bool> > &) const –> void

setup_for_scoring(self: pyrosetta.rosetta.core.scoring.facts.FACTSPotential, pose: pyrosetta.rosetta.core.pose.Pose, packing: bool) → None¶: C++: core::scoring::facts::FACTSPotential::setup_for_scoring(class core::pose::Pose &, const bool &) const –> void

update_residue_for_packing(self: pyrosetta.rosetta.core.scoring.facts.FACTSPotential, pose: pyrosetta.rosetta.core.pose.Pose, seqpos: int) → None¶: C++: core::scoring::facts::FACTSPotential::update_residue_for_packing(class core::pose::Pose &, const unsigned long) const –> void

class pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo¶

Bases: pybind11_object

Ai(*args, **kwargs)¶

Overloaded function.

Ai(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) -> float

C++: core::scoring::facts::FACTSResidueInfo::Ai(const unsigned long) const –> double

Ai(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo) -> pyrosetta.rosetta.utility.vector1_double

C++: core::scoring::facts::FACTSResidueInfo::Ai() const –> const class utility::vector1<double, class std::allocator<double> > &

property Ai_¶

BR(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::BR(const unsigned long) const –> double

property BR_¶

Bi(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::Bi(const unsigned long) const –> double

property Bi_¶

Ci(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::Ci(const unsigned long) const –> double

property Ci_¶

Di(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::Di(const unsigned long) const –> double

property Di_¶

E_elec(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, res: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::E_elec(const unsigned long) const –> double

property E_elec_¶

E_solv(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, res: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::E_solv(const unsigned long) const –> double

property E_solv_¶

E_solv_pair(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, res: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::E_solv_pair(const unsigned long) const –> double

property E_solv_pair_¶

E_solv_self(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, res: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::E_solv_self(const unsigned long) const –> double

property E_solv_self_¶

Ei(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::Ei(const unsigned long) const –> double

property Ei_¶

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

changed(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo) → bool¶: C++: core::scoring::facts::FACTSResidueInfo::changed() const –> bool

property changed_¶

clone(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo) → pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo¶: C++: core::scoring::facts::FACTSResidueInfo::clone() const –> class std::shared_ptr<class core::scoring::facts::FACTSResidueInfo>

dBR_dG(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::dBR_dG(const unsigned long) const –> double

property dBR_dG_¶

dB_dBdnmtr(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::dB_dBdnmtr(const unsigned long) const –> double

property dB_dBdnmtr_¶

dB_dBnmtr(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::dB_dBnmtr(const unsigned long) const –> double

property dB_dBnmtr_¶

dG_dCi(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::dG_dCi(const unsigned long) const –> double

property dG_dCi_¶

dSA_dDi(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::dSA_dDi(const unsigned long) const –> double

property dSA_dDi_¶

dnmtr(*args, **kwargs)¶

Overloaded function.

dnmtr(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo) -> pyrosetta.rosetta.utility.vector1_double

C++: core::scoring::facts::FACTSResidueInfo::dnmtr() const –> const class utility::vector1<double, class std::allocator<double> > &

dnmtr(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) -> float

C++: core::scoring::facts::FACTSResidueInfo::dnmtr(const unsigned long) const –> double

property dnmtr_¶

dsolv_dBR(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::dsolv_dBR(const unsigned long) const –> double

property dsolv_dBR_¶

elecF2(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → pyrosetta.rosetta.numeric.xyzVector_double_t¶: C++: core::scoring::facts::FACTSResidueInfo::elecF2(const unsigned long) const –> class numeric::xyzVector<double>

property elecF2_¶

enumeration_shell(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo) → bool¶: C++: core::scoring::facts::FACTSResidueInfo::enumeration_shell() const –> bool

property enumeration_shell_¶

esolvE(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::esolvE(const unsigned long) const –> double

property esolvE_¶

flag_for_calculation(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → bool¶: C++: core::scoring::facts::FACTSResidueInfo::flag_for_calculation(const unsigned long) const –> bool

property flag_for_calculation_¶

initialize(*args, **kwargs)¶

Overloaded function.

initialize(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, rsd: pyrosetta.rosetta.core.conformation.Residue, restypeinfo: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo) -> None
initialize(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, rsd: pyrosetta.rosetta.core.conformation.Residue, restypeinfo: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, is_rotamer: bool) -> None

C++: core::scoring::facts::FACTSResidueInfo::initialize(const class core::conformation::Residue &, class std::shared_ptr<const class core::scoring::facts::FACTSRsdTypeInfo>, const bool) –> void

natoms(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo) → int¶: C++: core::scoring::facts::FACTSResidueInfo::natoms() const –> unsigned long

property natoms_¶

nmtr(*args, **kwargs)¶

Overloaded function.

nmtr(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo) -> pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t

C++: core::scoring::facts::FACTSResidueInfo::nmtr() const –> const class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > > &

nmtr(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::scoring::facts::FACTSResidueInfo::nmtr(const unsigned long) const –> class numeric::xyzVector<double>

property nmtr_¶

refresh_energy_cache(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, nres: int) → None¶: C++: core::scoring::facts::FACTSResidueInfo::refresh_energy_cache(const unsigned long) –> void

restypeinfo(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo) → pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo¶: C++: core::scoring::facts::FACTSResidueInfo::restypeinfo() const –> class std::shared_ptr<const class core::scoring::facts::FACTSRsdTypeInfo>

sasa(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSResidueInfo::sasa(const unsigned long) const –> double

sasaF2(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → pyrosetta.rosetta.numeric.xyzVector_double_t¶: C++: core::scoring::facts::FACTSResidueInfo::sasaF2(const unsigned long) const –> class numeric::xyzVector<double>

property sasaF2_¶

property sasa_¶

set_changed(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, value: bool) → None¶: C++: core::scoring::facts::FACTSResidueInfo::set_changed(const bool) –> void

set_enumeration_shell(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, value: bool) → None¶: C++: core::scoring::facts::FACTSResidueInfo::set_enumeration_shell(const bool) –> void

solvF2BR(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → pyrosetta.rosetta.numeric.xyzVector_double_t¶: C++: core::scoring::facts::FACTSResidueInfo::solvF2BR(const unsigned long) const –> class numeric::xyzVector<double>

property solvF2BR_¶

solvF2d(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, atm: int) → pyrosetta.rosetta.numeric.xyzVector_double_t¶: C++: core::scoring::facts::FACTSResidueInfo::solvF2d(const unsigned long) const –> class numeric::xyzVector<double>

property solvF2d_¶

store_xyz(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo, rsd: pyrosetta.rosetta.core.conformation.Residue) → None¶: C++: core::scoring::facts::FACTSResidueInfo::store_xyz(const class core::conformation::Residue &) –> void

xyz(self: pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo) → pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t¶: C++: core::scoring::facts::FACTSResidueInfo::xyz() const –> const class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > > &

property xyz_¶

class pyrosetta.rosetta.core.scoring.facts.FACTSRotamerSetInfo¶

Bases: CacheableData

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

clone(self: pyrosetta.rosetta.core.scoring.facts.FACTSRotamerSetInfo) → pyrosetta.rosetta.basic.datacache.CacheableData¶: C++: core::scoring::facts::FACTSRotamerSetInfo::clone() const –> class std::shared_ptr<class basic::datacache::CacheableData>

get_self_ptr(self: pyrosetta.rosetta.basic.datacache.CacheableData) → pyrosetta.rosetta.basic.datacache.CacheableData¶: C++: basic::datacache::CacheableData::get_self_ptr() –> class std::shared_ptr<class basic::datacache::CacheableData>

get_self_weak_ptr(self: pyrosetta.rosetta.basic.datacache.CacheableData) → pyrosetta.rosetta.std.weak_ptr_basic_datacache_CacheableData_t¶: C++: basic::datacache::CacheableData::get_self_weak_ptr() –> class std::weak_ptr<class basic::datacache::CacheableData>

initialize(self: pyrosetta.rosetta.core.scoring.facts.FACTSRotamerSetInfo, rotamer_set: pyrosetta.rosetta.core.conformation.RotamerSetBase, rsdtypemap: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeMap) → None¶

dont forget to 0 the born_radii

C++: core::scoring::facts::FACTSRotamerSetInfo::initialize(const class core::conformation::RotamerSetBase &, class core::scoring::facts::FACTSRsdTypeMap &) –> void

residue_info(self: pyrosetta.rosetta.core.scoring.facts.FACTSRotamerSetInfo, i: int) → pyrosetta.rosetta.core.scoring.facts.FACTSResidueInfo¶: C++: core::scoring::facts::FACTSRotamerSetInfo::residue_info(const unsigned long) –> class core::scoring::facts::FACTSResidueInfo &

size(self: pyrosetta.rosetta.core.scoring.facts.FACTSRotamerSetInfo) → int¶: C++: core::scoring::facts::FACTSRotamerSetInfo::size() const –> unsigned long

class pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo¶

Bases: pybind11_object

COradius2(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::COradius2(const unsigned long) const –> double

a0(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::a0(const unsigned long) const –> double

a1(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::a1(const unsigned long) const –> double

a2(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::a2(const unsigned long) const –> double

a3(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::a3(const unsigned long) const –> double

alpha(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::alpha(const unsigned long) const –> double

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

b1(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::b1(const unsigned long) const –> double

b2(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::b2(const unsigned long) const –> double

c0(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::c0(const unsigned long) const –> double

c1(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::c1(const unsigned long) const –> double

c2(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::c2(const unsigned long) const –> double

c3(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::c3(const unsigned long) const –> double

charged(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → bool¶: C++: core::scoring::facts::FACTSRsdTypeInfo::charged(const unsigned long) const –> bool

create_info(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, rsd: pyrosetta.rosetta.core.chemical.ResidueType) → None¶: C++: core::scoring::facts::FACTSRsdTypeInfo::create_info(const class core::chemical::ResidueType &) –> void

d1(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::d1(const unsigned long) const –> double

d2(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::d2(const unsigned long) const –> double

intra_elec_scale(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm1: int, atm2: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::intra_elec_scale(const unsigned long, const unsigned long) const –> double

intra_solv_scale(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm1: int, atm2: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::intra_solv_scale(const unsigned long, const unsigned long) const –> double

is_chargedH(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm1: int) → bool¶: C++: core::scoring::facts::FACTSRsdTypeInfo::is_chargedH(const unsigned long) const –> bool

is_freedof(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm1: int) → bool¶: C++: core::scoring::facts::FACTSRsdTypeInfo::is_freedof(const unsigned long) const –> bool

natoms(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo) → int¶: C++: core::scoring::facts::FACTSRsdTypeInfo::natoms() const –> unsigned long

not_using(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → bool¶: C++: core::scoring::facts::FACTSRsdTypeInfo::not_using(const unsigned long) const –> bool

q(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::q(const unsigned long) const –> double

volume(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo, atm: int) → float¶: C++: core::scoring::facts::FACTSRsdTypeInfo::volume(const unsigned long) const –> double

class pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeMap¶

Bases: pybind11_object

The FACTSRsdTypeMap is a collection of FACTSRsdTypeInfo for a number of residue types (This is a separate class to shield the raw pointer usage here

get_type_info(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeMap, rsd_type: pyrosetta.rosetta.core.chemical.ResidueType) → pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeInfo¶

get the info for the residue type, creating it if it doesn’t exist

C++: core::scoring::facts::FACTSRsdTypeMap::get_type_info(const class core::chemical::ResidueType &) –> class std::shared_ptr<const class core::scoring::facts::FACTSRsdTypeInfo>

restype_destruction_observer(self: pyrosetta.rosetta.core.scoring.facts.FACTSRsdTypeMap, event: pyrosetta.rosetta.core.chemical.RestypeDestructionEvent) → None¶: C++: core::scoring::facts::FACTSRsdTypeMap::restype_destruction_observer(const struct core::chemical::RestypeDestructionEvent &) –> void