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Public Types | Public Member Functions | Protected Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator Class Reference

#include <DecomposeAndReweightEnergiesCalculator.hh>

Inheritance diagram for protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator:
Inheritance graph
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Public Types

typedef utility::graph::UpperEdgeGraph< EmptyVertexData, EnergiesDataEnergiesGraph
 
typedef utility::graph::UEVertex< EmptyVertexData, EnergiesDataEnergiesVertex
 
typedef utility::graph::UEEdge< EmptyVertexData, EnergiesDataEnergiesEdge
 
typedef utility::vector1< utility::graph::UEEdge< EmptyVertexData, EnergiesData > >::iterator EnergiesUpperEdgeListIter
 
typedef utility::vector1< utility::graph::UEEdge< EmptyVertexData, EnergiesData > >::const_iterator EnergiesUpperEdgeListConstIter
 

Public Member Functions

 DecomposeAndReweightEnergiesCalculator (std::string const &NameOfResidueDecompositionCalculator)
 
core::pose::metrics::PoseMetricCalculatorOP clone () const override
 
std::string const & residue_decomposition_calculator () const
 
core::scoring::EnergyMap const & original_weights () const
 
EnergiesData const & other_energies () const
 
utility::vector1< EnergiesData > const & onebody_energies () const
 
EnergiesGraph const & twobody_energies () const
 
utility::vector1< std::string > const & set_names () const
 
core::Real weighted_total () const
 
core::Size num_sets () const
 
void num_sets (core::Size num_sets)
 
core::Size num_components () const
 
EnergiesData const & component (core::Size index) const
 
utility::vector1< core::Realmaster_weight_vector () const
 
void master_weight_vector (utility::vector1< core::Real > const &master_weight_vector)
 
utility::vector1< std::string > names_vector () const
 
utility::vector1< core::scoring::EnergyMapweighted_energy_map_vector () const
 
utility::vector1< core::Realweighted_total_no_master_vector () const
 
utility::vector1< core::Realweighted_total_vector () const
 
utility::vector1< core::scoring::ScoreTypenonzero_weight_score_types () const
 
void show (std::ostream &out) const
 
- Public Member Functions inherited from core::pose::metrics::EnergyDependentCalculator
 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 void notify_structure_change ()
 

Protected Member Functions

void lookup (std::string const &key, basic::MetricValueBase *valptr) const override
 
std::string print (std::string const &key) const override
 
void recompute (core::pose::Pose const &this_pose) override
 

Private Member Functions

EnergiesDatacomponent (core::Size index)
 
void clear_energies ()
 
void update_original_weights ()
 
void update_weighted_total ()
 

Private Attributes

std::string name_of_ResidueDecompositionCalculator_
 
core::scoring::EnergyMap original_weights_
 
EnergiesData other_energies_
 
utility::vector1< EnergiesDataonebody_energies_
 
EnergiesGraph twobody_energies_
 
utility::vector1< std::string > set_names_
 
core::Real weighted_total_
 

Member Typedef Documentation

◆ EnergiesEdge

◆ EnergiesGraph

◆ EnergiesUpperEdgeListConstIter

◆ EnergiesUpperEdgeListIter

◆ EnergiesVertex

Constructor & Destructor Documentation

◆ DecomposeAndReweightEnergiesCalculator()

protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::DecomposeAndReweightEnergiesCalculator ( std::string const &  NameOfResidueDecompositionCalculator)

Member Function Documentation

◆ clear_energies()

void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::clear_energies ( )
private

◆ clone()

core::pose::metrics::PoseMetricCalculatorOP protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::clone ( ) const
inlineoverridevirtual

◆ component() [1/2]

EnergiesData & protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::component ( core::Size  index)
private

◆ component() [2/2]

EnergiesData const & protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::component ( core::Size  index) const

◆ lookup()

void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::lookup ( std::string const &  key,
basic::MetricValueBase *  valptr 
) const
overrideprotectedvirtual

◆ master_weight_vector() [1/2]

utility::vector1< core::Real > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::master_weight_vector ( ) const

◆ master_weight_vector() [2/2]

void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::master_weight_vector ( utility::vector1< core::Real > const &  master_weight_vector)

◆ names_vector()

utility::vector1< std::string > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::names_vector ( ) const

References set_names_.

Referenced by show().

◆ nonzero_weight_score_types()

utility::vector1< core::scoring::ScoreType > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::nonzero_weight_score_types ( ) const

◆ num_components()

core::Size protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::num_components ( ) const

◆ num_sets() [1/2]

core::Size protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::num_sets ( ) const

◆ num_sets() [2/2]

void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::num_sets ( core::Size  num_sets)

◆ onebody_energies()

utility::vector1<EnergiesData> const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::onebody_energies ( ) const
inline

References onebody_energies_.

◆ original_weights()

core::scoring::EnergyMap const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::original_weights ( ) const
inline

References original_weights_.

◆ other_energies()

EnergiesData const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::other_energies ( ) const
inline

References other_energies_.

◆ print()

std::string protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::print ( std::string const &  key) const
overrideprotectedvirtual

◆ recompute()

void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::recompute ( core::pose::Pose const &  this_pose)
overrideprotectedvirtual

◆ residue_decomposition_calculator()

std::string const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::residue_decomposition_calculator ( ) const
inline

◆ set_names()

utility::vector1<std::string> const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::set_names ( ) const
inline

References set_names_.

◆ show()

void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::show ( std::ostream &  out) const

◆ twobody_energies()

EnergiesGraph const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::twobody_energies ( ) const
inline

References twobody_energies_.

◆ update_original_weights()

void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::update_original_weights ( )
private

◆ update_weighted_total()

void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::update_weighted_total ( )
private

◆ weighted_energy_map_vector()

utility::vector1< core::scoring::EnergyMap > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_energy_map_vector ( ) const

◆ weighted_total()

core::Real protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_total ( ) const
inline

References weighted_total_.

◆ weighted_total_no_master_vector()

utility::vector1< core::Real > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_total_no_master_vector ( ) const

◆ weighted_total_vector()

utility::vector1< core::Real > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_total_vector ( ) const

Member Data Documentation

◆ name_of_ResidueDecompositionCalculator_

std::string protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::name_of_ResidueDecompositionCalculator_
private

◆ onebody_energies_

utility::vector1<EnergiesData> protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::onebody_energies_
private

◆ original_weights_

core::scoring::EnergyMap protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::original_weights_
private

◆ other_energies_

EnergiesData protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::other_energies_
private

◆ set_names_

utility::vector1<std::string> protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::set_names_
private

Referenced by names_vector(), recompute(), and set_names().

◆ twobody_energies_

EnergiesGraph protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::twobody_energies_
private

◆ weighted_total_

core::Real protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_total_
private

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