Rosetta 3.5: core::pose::metrics::EnergyDependentCalculator Class Reference

#include <PoseMetricCalculatorBase.hh>

Inheritance diagram for core::pose::metrics::EnergyDependentCalculator:

Inheritance graph

Collaboration diagram for core::pose::metrics::EnergyDependentCalculator:

Collaboration graph

Public Member Functions
	EnergyDependentCalculator ()

void	notify_energy_change ()

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

std::string	get (std::string const &key, Pose const &this_pose)

Public Member Functions inherited from core::pose::metrics::PoseMetricCalculator
	PoseMetricCalculator ()

virtual PoseMetricCalculatorOP	clone () const =0

virtual void	notify_structure_change ()

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

Private Attributes
bool	energies_are_outdated_

Detailed Description

Definition at line 122 of file PoseMetricCalculatorBase.hh.

Constructor & Destructor Documentation

core::pose::metrics::EnergyDependentCalculator::EnergyDependentCalculator ( )

inline

Definition at line 124 of file PoseMetricCalculatorBase.hh.

Member Function Documentation

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

inlinevirtual

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

Definition at line 126 of file PoseMetricCalculatorBase.hh.

References energies_are_outdated_, lookup(), and recompute().

Referenced by protocols::simple_filters::BuriedUnsatHbondFilter::compute(), protocols::ligand_docking::count_buried_unsat_Hbonds(), protocols::dna::PDBOutput::output_buried_unsatisfied_hbonds(), and protocols::ligand_docking::print_buried_unsat_Hbonds().

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

inlinevirtual

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

Definition at line 131 of file PoseMetricCalculatorBase.hh.

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

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

protectedpure virtual

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

Implemented in protocols::toolbox::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator, protocols::toolbox::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator, protocols::toolbox::pose_metric_calculators::NonlocalContactsCalculator, protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator, protocols::toolbox::pose_metric_calculators::NumberHBondsCalculator, and core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator.

Referenced by get().

void core::pose::metrics::EnergyDependentCalculator::notify_energy_change ( )

inlinevirtual

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

Definition at line 125 of file PoseMetricCalculatorBase.hh.

References energies_are_outdated_.

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

protectedpure virtual

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

Implemented in protocols::toolbox::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator, protocols::toolbox::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator, protocols::toolbox::pose_metric_calculators::NonlocalContactsCalculator, protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator, protocols::toolbox::pose_metric_calculators::NumberHBondsCalculator, and core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator.

Referenced by get().

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

protectedpure virtual

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

Implemented in protocols::toolbox::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator, protocols::toolbox::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator, protocols::toolbox::pose_metric_calculators::NonlocalContactsCalculator, protocols::toolbox::pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator, protocols::toolbox::pose_metric_calculators::NumberHBondsCalculator, and core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator.

Referenced by get().

Member Data Documentation

bool core::pose::metrics::EnergyDependentCalculator::energies_are_outdated_

private

Definition at line 141 of file PoseMetricCalculatorBase.hh.

Referenced by get(), and notify_energy_change().

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

src/core/pose/metrics/PoseMetricCalculatorBase.hh