core::pose::metrics::PoseMetricCalculator Class Reference

#include <PoseMetricCalculatorBase.hh>

Inheritance diagram for core::pose::metrics::PoseMetricCalculator:

Public Member Functions
	PoseMetricCalculator ()
virtual PoseMetricCalculatorOP	clone () const =0
virtual void	notify_structure_change ()
virtual void	notify_energy_change ()
virtual void	get (std::string const &key, basic::MetricValueBase &val, Pose const &this_pose)=0
virtual std::string	get (std::string const &key, Pose const &this_pose)=0

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

Constructor & Destructor Documentation

core::pose::metrics::PoseMetricCalculator::PoseMetricCalculator ( )

inline

Member Function Documentation

virtual PoseMetricCalculatorOP core::pose::metrics::PoseMetricCalculator::clone ( ) const

pure virtual

Implemented in protocols::vardist_solaccess::VarSolDistSasaCalculator, protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator, protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator, protocols::pose_metric_calculators::FragQualCalculator, protocols::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator, protocols::fldsgn::NcontactsCalculator, protocols::pose_metric_calculators::InterGroupNeighborsCalculator, protocols::pose_metric_calculators::NonlocalContactsCalculator, protocols::denovo_design::calculators::CavityCalculator, protocols::pose_metric_calculators::PiPiCalculator, protocols::pose_metric_calculators::CatPiCalculator, protocols::pose_metric_calculators::SaltBridgeCalculator, protocols::pose_metric_calculators::PackstatCalculator, protocols::buns::BuriedUnsatisfiedPolarsCalculator2, core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator, protocols::pose_metric_calculators::NeighborhoodByDistanceCalculator, protocols::simple_pose_metric_calculators::NumberHBondsCalculator, protocols::pose_metric_calculators::NeighborsByDistanceCalculator, protocols::pose_metric_calculators::RotamerBoltzCalculator, core::pose::metrics::simple_calculators::SasaCalculator2, protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator, core::pose::metrics::simple_calculators::InterfaceSasaDefinitionCalculator, core::pose::metrics::simple_calculators::InterfaceNeighborDefinitionCalculator, core::pose::metrics::simple_calculators::SasaCalculatorLegacy, protocols::pose_metric_calculators::ChargeCalculator, core::pose::metrics::simple_calculators::InterfaceDefinitionCalculator, protocols::pose_metric_calculators::ResidueDecompositionByChainCalculator, protocols::pose_metric_calculators::SurfaceCalculator, protocols::pose_metric_calculators::ClashCountCalculator, protocols::pose_metric_calculators::HPatchCalculator, protocols::mean_field::EnergiesByTaskCalculator, and protocols::pose_metric_calculators::ResidueDecompositionCalculator.

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

pure virtual

Implemented in core::pose::metrics::EnergyDependentCalculator, and core::pose::metrics::StructureDependentCalculator.

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

pure virtual

Implemented in core::pose::metrics::EnergyDependentCalculator, and core::pose::metrics::StructureDependentCalculator.

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

protectedpure virtual

Implemented in protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator, protocols::vardist_solaccess::VarSolDistSasaCalculator, core::pose::metrics::EnergyDependentCalculator, protocols::buns::BuriedUnsatisfiedPolarsCalculator2, protocols::pose_metric_calculators::FragQualCalculator, protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator, core::pose::metrics::StructureDependentCalculator, protocols::fldsgn::NcontactsCalculator, protocols::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator, protocols::pose_metric_calculators::InterGroupNeighborsCalculator, protocols::simple_pose_metric_calculators::NumberHBondsCalculator, protocols::pose_metric_calculators::NonlocalContactsCalculator, 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::InterfaceDeltaEnergeticsCalculator, 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::mean_field::EnergiesByTaskCalculator, 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.

virtual void core::pose::metrics::PoseMetricCalculator::notify_energy_change ( )

inlinevirtual

Reimplemented in core::pose::metrics::EnergyDependentCalculator.

virtual void core::pose::metrics::PoseMetricCalculator::notify_structure_change ( )

inlinevirtual

Reimplemented in core::pose::metrics::StructureDependentCalculator.

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

protectedpure virtual

Implemented in protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator, protocols::vardist_solaccess::VarSolDistSasaCalculator, core::pose::metrics::EnergyDependentCalculator, protocols::buns::BuriedUnsatisfiedPolarsCalculator2, protocols::pose_metric_calculators::FragQualCalculator, protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator, core::pose::metrics::StructureDependentCalculator, protocols::fldsgn::NcontactsCalculator, protocols::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator, protocols::pose_metric_calculators::InterGroupNeighborsCalculator, protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator, protocols::simple_pose_metric_calculators::NumberHBondsCalculator, protocols::pose_metric_calculators::NonlocalContactsCalculator, 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::InterfaceDeltaEnergeticsCalculator, 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::mean_field::EnergiesByTaskCalculator, 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.

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

protectedpure virtual

Implemented in protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator, protocols::vardist_solaccess::VarSolDistSasaCalculator, core::pose::metrics::EnergyDependentCalculator, protocols::buns::BuriedUnsatisfiedPolarsCalculator2, protocols::pose_metric_calculators::FragQualCalculator, protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator, core::pose::metrics::StructureDependentCalculator, protocols::fldsgn::NcontactsCalculator, protocols::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator, protocols::pose_metric_calculators::InterGroupNeighborsCalculator, protocols::pose_metric_calculators::ResidueDecompositionByChainCalculator, protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator, protocols::simple_pose_metric_calculators::NumberHBondsCalculator, protocols::pose_metric_calculators::NonlocalContactsCalculator, 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::InterfaceDeltaEnergeticsCalculator, 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::mean_field::EnergiesByTaskCalculator, 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.

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

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