simple_pose_metric_calculators¶

Bindings for protocols::simple_pose_metric_calculators namespace

class pyrosetta.rosetta.protocols.simple_pose_metric_calculators.BuriedUnsatisfiedPolarsCalculator¶

Bases: EnergyDependentCalculator

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

clone(self: pyrosetta.rosetta.protocols.simple_pose_metric_calculators.BuriedUnsatisfiedPolarsCalculator) → pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator¶

copy constructor implicit in clone call

C++: protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>

get(*args, **kwargs)¶

Overloaded function.

get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None

C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void

get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str

C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string

name_of_hbond_calc(self: pyrosetta.rosetta.protocols.simple_pose_metric_calculators.BuriedUnsatisfiedPolarsCalculator) → str¶: C++: protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::name_of_hbond_calc() const –> const std::string &

name_of_sasa_calc(self: pyrosetta.rosetta.protocols.simple_pose_metric_calculators.BuriedUnsatisfiedPolarsCalculator) → str¶: C++: protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::name_of_sasa_calc() const –> const std::string &

notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator) → None¶: C++: core::pose::metrics::EnergyDependentCalculator::notify_energy_change() –> void

notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) → None¶: C++: core::pose::metrics::PoseMetricCalculator::notify_structure_change() –> void

set_special_region(*args, **kwargs)¶

Overloaded function.

set_special_region(self: pyrosetta.rosetta.protocols.simple_pose_metric_calculators.BuriedUnsatisfiedPolarsCalculator, special_region: pyrosetta.rosetta.std.set_unsigned_long_t) -> None

C++: protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::set_special_region(const class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > &) –> void

set_special_region(self: pyrosetta.rosetta.protocols.simple_pose_metric_calculators.BuriedUnsatisfiedPolarsCalculator, special_region: pyrosetta.rosetta.core.id.AtomID_Map_bool_t) -> None

C++: protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::set_special_region(const class core::id::AtomID_Map<bool> &) –> void

class pyrosetta.rosetta.protocols.simple_pose_metric_calculators.NumberHBondsCalculator¶

Bases: EnergyDependentCalculator

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

clone(self: pyrosetta.rosetta.protocols.simple_pose_metric_calculators.NumberHBondsCalculator) → pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator¶: C++: protocols::simple_pose_metric_calculators::NumberHBondsCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>

get(*args, **kwargs)¶

Overloaded function.

get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None

C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void

get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str

C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string

get_residue_hbonds(self: pyrosetta.rosetta.protocols.simple_pose_metric_calculators.NumberHBondsCalculator) → pyrosetta.rosetta.utility.vector1_unsigned_long¶: C++: protocols::simple_pose_metric_calculators::NumberHBondsCalculator::get_residue_hbonds() –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >

get_special_region(self: pyrosetta.rosetta.protocols.simple_pose_metric_calculators.NumberHBondsCalculator) → pyrosetta.rosetta.std.set_unsigned_long_t¶: C++: protocols::simple_pose_metric_calculators::NumberHBondsCalculator::get_special_region() –> class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> >

get_total_hbonds(self: pyrosetta.rosetta.protocols.simple_pose_metric_calculators.NumberHBondsCalculator) → int¶: C++: protocols::simple_pose_metric_calculators::NumberHBondsCalculator::get_total_hbonds() –> unsigned long

notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator) → None¶: C++: core::pose::metrics::EnergyDependentCalculator::notify_energy_change() –> void

notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) → None¶: C++: core::pose::metrics::PoseMetricCalculator::notify_structure_change() –> void

set_cumul_hbonds(self: pyrosetta.rosetta.protocols.simple_pose_metric_calculators.NumberHBondsCalculator, cumul_hbonds: bool) → None¶: C++: protocols::simple_pose_metric_calculators::NumberHBondsCalculator::set_cumul_hbonds(bool) –> void

set_generous(self: pyrosetta.rosetta.protocols.simple_pose_metric_calculators.NumberHBondsCalculator, generous: bool) → None¶: C++: protocols::simple_pose_metric_calculators::NumberHBondsCalculator::set_generous(bool) –> void

set_max_hb_energy(self: pyrosetta.rosetta.protocols.simple_pose_metric_calculators.NumberHBondsCalculator, energy: float) → None¶: C++: protocols::simple_pose_metric_calculators::NumberHBondsCalculator::set_max_hb_energy(double) –> void

set_special_region(self: pyrosetta.rosetta.protocols.simple_pose_metric_calculators.NumberHBondsCalculator, selection: pyrosetta.rosetta.std.set_unsigned_long_t) → None¶: C++: protocols::simple_pose_metric_calculators::NumberHBondsCalculator::set_special_region(class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> >) –> void

static sum_Hbond_terms(emap: pyrosetta.rosetta.core.scoring.EMapVector) → float¶: C++: protocols::simple_pose_metric_calculators::NumberHBondsCalculator::sum_Hbond_terms(const class core::scoring::EMapVector &) –> double

pyrosetta.rosetta.protocols.simple_pose_metric_calculators.choose_hbond_parameter_set() → str¶

use the “score12_params” set if the -restore_pre_talaris_2013_behavior flag is on the command line: and otherwise use the new and improved sp2_elec_params parameter set

C++: protocols::simple_pose_metric_calculators::choose_hbond_parameter_set() –> std::string