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

#include <PoseMetricCalculatorBase.hh>

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

Inheritance graph

Public Member Functions
	EnergyDependentCalculator ()

void	notify_energy_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_structure_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	energies_are_outdated_

Constructor & Destructor Documentation

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

inline

Member Function Documentation

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

inlineoverridevirtual

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

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

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
	)

inlineoverridevirtual

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

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

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

overrideprotectedpure virtual

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

Implemented in protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator, protocols::buns::BuriedUnsatisfiedPolarsCalculator2, protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator, protocols::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator, protocols::simple_pose_metric_calculators::NumberHBondsCalculator, protocols::pose_metric_calculators::NonlocalContactsCalculator, core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator, and protocols::mean_field::EnergiesByTaskCalculator.

Referenced by get().

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

inlineoverridevirtual

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

References energies_are_outdated_.

Referenced by protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_AHD_cutoff(), protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_dist_cutoff(), protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_generous_hbonds(), protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_hxl_dist_cutoff(), protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_layered_sasa(), protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_metal_dist_cutoff(), protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_sasa_burial_cutoff(), protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::set_special_region(), and protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_sulph_dist_cutoff().

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

overrideprotectedpure virtual

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

Implemented in protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator, protocols::buns::BuriedUnsatisfiedPolarsCalculator2, protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator, protocols::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator, protocols::simple_pose_metric_calculators::NumberHBondsCalculator, protocols::pose_metric_calculators::NonlocalContactsCalculator, core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator, and protocols::mean_field::EnergiesByTaskCalculator.

Referenced by get().

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

overrideprotectedpure virtual

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

Implemented in protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator, protocols::buns::BuriedUnsatisfiedPolarsCalculator2, protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator, protocols::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator, protocols::simple_pose_metric_calculators::NumberHBondsCalculator, protocols::pose_metric_calculators::NonlocalContactsCalculator, core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator, and protocols::mean_field::EnergiesByTaskCalculator.

Referenced by get().

Member Data Documentation

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

private

Referenced by get(), and notify_energy_change().

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

src/core/pose/metrics/PoseMetricCalculatorBase.hh