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protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator Class Reference

#include <DecomposeAndReweightEnergiesCalculator.hh>

Inheritance diagram for protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator:
Inheritance graph
[legend]

Public Types

typedef
utility::graph::UpperEdgeGraph
< EmptyVertexData,
EnergiesData
EnergiesGraph
 
typedef
utility::graph::UEVertex
< EmptyVertexData,
EnergiesData
EnergiesVertex
 
typedef utility::graph::UEEdge
< EmptyVertexData,
EnergiesData
EnergiesEdge
 
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::EnergyMap
weighted_energy_map_vector () const
 
utility::vector1< core::Realweighted_total_no_master_vector () const
 
utility::vector1< core::Realweighted_total_vector () const
 
utility::vector1
< core::scoring::ScoreType
nonzero_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

Constructor & Destructor Documentation

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

Member Function Documentation

void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::clear_energies ( )
private
core::pose::metrics::PoseMetricCalculatorOP protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::clone ( ) const
inlineoverridevirtual
EnergiesData const & protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::component ( core::Size  index) const
EnergiesData & protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::component ( core::Size  index)
private
void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::lookup ( std::string const &  key,
basic::MetricValueBase *  valptr 
) const
overrideprotectedvirtual
utility::vector1< core::Real > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::master_weight_vector ( ) const
void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::master_weight_vector ( utility::vector1< core::Real > const &  master_weight_vector)
utility::vector1< std::string > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::names_vector ( ) const

References set_names_.

Referenced by show().

utility::vector1< core::scoring::ScoreType > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::nonzero_weight_score_types ( ) const
core::Size protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::num_components ( ) const
core::Size protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::num_sets ( ) const
void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::num_sets ( core::Size  num_sets)
utility::vector1<EnergiesData> const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::onebody_energies ( ) const
inline

References onebody_energies_.

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

References original_weights_.

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

References other_energies_.

std::string protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::print ( std::string const &  key) const
overrideprotectedvirtual
void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::recompute ( core::pose::Pose const &  this_pose)
overrideprotectedvirtual
std::string const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::residue_decomposition_calculator ( ) const
inline
utility::vector1<std::string> const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::set_names ( ) const
inline

References set_names_.

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

References twobody_energies_.

void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::update_original_weights ( )
private
void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::update_weighted_total ( )
private
utility::vector1< core::scoring::EnergyMap > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_energy_map_vector ( ) const
core::Real protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_total ( ) const
inline

References weighted_total_.

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

Member Data Documentation

std::string protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::name_of_ResidueDecompositionCalculator_
private
utility::vector1<EnergiesData> protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::onebody_energies_
private
core::scoring::EnergyMap protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::original_weights_
private
EnergiesData protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::other_energies_
private
utility::vector1<std::string> protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::set_names_
private

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

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

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