core::pose::metrics::StructureDependentCalculator Class Reference

#include <PoseMetricCalculatorBase.hh>

Inheritance diagram for core::pose::metrics::StructureDependentCalculator:

Public Member Functions
	StructureDependentCalculator ()
void	notify_structure_change () override
void	get (std::string const &key, basic::MetricValueBase &val, Pose const &this_pose) override
std::string	get (std::string const &key, Pose const &this_pose) override
Public Member Functions inherited from core::pose::metrics::PoseMetricCalculator
	PoseMetricCalculator ()
virtual PoseMetricCalculatorOP	clone () const =0
virtual void	notify_energy_change ()

Protected Member Functions
void	lookup (std::string const &key, basic::MetricValueBase *valptr) const override=0
std::string	print (std::string const &key) const override=0
void	recompute (Pose const &this_pose) override=0

Private Attributes
bool	structure_is_outdated_

Constructor & Destructor Documentation

core::pose::metrics::StructureDependentCalculator::StructureDependentCalculator ( )

inline

Member Function Documentation

void core::pose::metrics::StructureDependentCalculator::get ( std::string const &  key, basic::MetricValueBase &  val, Pose const &  this_pose  )

inlineoverridevirtual

Implements core::pose::metrics::PoseMetricCalculator.

References lookup(), recompute(), structure_is_outdated_, and protocols::hybridization::val.

Referenced by protocols::simple_filters::ChiWellRmsdEvaluator::apply(), protocols::fldsgn::filters::NcontactsFilter::compute(), protocols::switches::GraftSwitchMover::init_burial_filter(), and protocols::dna::PDBOutput::output_buried_unsatisfied_hbonds().

std::string core::pose::metrics::StructureDependentCalculator::get ( std::string const &  key, Pose const &  this_pose  )

inlineoverridevirtual

Implements core::pose::metrics::PoseMetricCalculator.

References print(), recompute(), and structure_is_outdated_.

void core::pose::metrics::StructureDependentCalculator::lookup ( std::string const &  key, basic::MetricValueBase *  valptr  ) const

overrideprotectedpure virtual

Implements core::pose::metrics::PoseMetricCalculator.

Implemented in protocols::vardist_solaccess::VarSolDistSasaCalculator, protocols::pose_metric_calculators::FragQualCalculator, protocols::fldsgn::NcontactsCalculator, protocols::pose_metric_calculators::InterGroupNeighborsCalculator, protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator, protocols::pose_metric_calculators::PiPiCalculator, protocols::pose_metric_calculators::CatPiCalculator, protocols::pose_metric_calculators::SaltBridgeCalculator, protocols::denovo_design::calculators::CavityCalculator, protocols::pose_metric_calculators::NeighborhoodByDistanceCalculator, protocols::pose_metric_calculators::NeighborsByDistanceCalculator, protocols::pose_metric_calculators::RotamerBoltzCalculator, protocols::pose_metric_calculators::PackstatCalculator, core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator, core::pose::metrics::simple_calculators::SasaCalculator2, core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator, protocols::pose_metric_calculators::ChargeCalculator, core::pose::metrics::simple_calculators::SasaCalculatorLegacy, core::pose::metrics::simple_calculators::InterfaceDefinitionCalculator, protocols::pose_metric_calculators::ResidueDecompositionCalculator, protocols::pose_metric_calculators::SurfaceCalculator, protocols::pose_metric_calculators::ClashCountCalculator, and protocols::pose_metric_calculators::HPatchCalculator.

Referenced by get().

void core::pose::metrics::StructureDependentCalculator::notify_structure_change ( )

inlineoverridevirtual

Reimplemented from core::pose::metrics::PoseMetricCalculator.

References structure_is_outdated_.

Referenced by protocols::pose_metric_calculators::RotamerBoltzCalculator::set_energy_landscape_evaluator(), protocols::pose_metric_calculators::RotamerBoltzCalculator::set_lazy(), and protocols::pose_metric_calculators::RotamerBoltzCalculator::set_residue_selector().

std::string core::pose::metrics::StructureDependentCalculator::print ( std::string const &  key ) const

overrideprotectedpure virtual

Implements core::pose::metrics::PoseMetricCalculator.

Implemented in protocols::vardist_solaccess::VarSolDistSasaCalculator, protocols::pose_metric_calculators::FragQualCalculator, protocols::fldsgn::NcontactsCalculator, protocols::pose_metric_calculators::InterGroupNeighborsCalculator, protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator, protocols::pose_metric_calculators::PiPiCalculator, protocols::pose_metric_calculators::CatPiCalculator, protocols::pose_metric_calculators::SaltBridgeCalculator, protocols::denovo_design::calculators::CavityCalculator, protocols::pose_metric_calculators::NeighborhoodByDistanceCalculator, protocols::pose_metric_calculators::NeighborsByDistanceCalculator, protocols::pose_metric_calculators::RotamerBoltzCalculator, protocols::pose_metric_calculators::PackstatCalculator, core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator, core::pose::metrics::simple_calculators::SasaCalculator2, core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator, protocols::pose_metric_calculators::ChargeCalculator, core::pose::metrics::simple_calculators::SasaCalculatorLegacy, protocols::pose_metric_calculators::SurfaceCalculator, core::pose::metrics::simple_calculators::InterfaceDefinitionCalculator, protocols::pose_metric_calculators::ClashCountCalculator, protocols::pose_metric_calculators::ResidueDecompositionCalculator, and protocols::pose_metric_calculators::HPatchCalculator.

Referenced by get().

void core::pose::metrics::StructureDependentCalculator::recompute ( Pose const &  this_pose )

overrideprotectedpure virtual

Implements core::pose::metrics::PoseMetricCalculator.

Implemented in protocols::vardist_solaccess::VarSolDistSasaCalculator, protocols::pose_metric_calculators::FragQualCalculator, protocols::fldsgn::NcontactsCalculator, protocols::pose_metric_calculators::InterGroupNeighborsCalculator, protocols::pose_metric_calculators::ResidueDecompositionByChainCalculator, protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator, protocols::pose_metric_calculators::PiPiCalculator, protocols::pose_metric_calculators::CatPiCalculator, protocols::pose_metric_calculators::SaltBridgeCalculator, protocols::denovo_design::calculators::CavityCalculator, protocols::pose_metric_calculators::NeighborhoodByDistanceCalculator, protocols::pose_metric_calculators::NeighborsByDistanceCalculator, protocols::pose_metric_calculators::RotamerBoltzCalculator, protocols::pose_metric_calculators::PackstatCalculator, core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator, core::pose::metrics::simple_calculators::SasaCalculator2, core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator, protocols::pose_metric_calculators::ChargeCalculator, core::pose::metrics::simple_calculators::SasaCalculatorLegacy, core::pose::metrics::simple_calculators::InterfaceDefinitionCalculator, protocols::pose_metric_calculators::ResidueDecompositionCalculator, protocols::pose_metric_calculators::SurfaceCalculator, protocols::pose_metric_calculators::ClashCountCalculator, and protocols::pose_metric_calculators::HPatchCalculator.

Referenced by get().

Member Data Documentation

bool core::pose::metrics::StructureDependentCalculator::structure_is_outdated_

private

Referenced by get(), and notify_structure_change().

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The documentation for this class was generated from the following file:

• src/core/pose/metrics/PoseMetricCalculatorBase.hh