#include <DecomposeAndReweightEnergiesCalculator.hh>
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void | lookup (std::string const &key, basic::MetricValueBase *valptr) const override |
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std::string | print (std::string const &key) const override |
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void | recompute (core::pose::Pose const &this_pose) override |
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◆ EnergiesEdge
◆ EnergiesGraph
◆ EnergiesUpperEdgeListConstIter
◆ EnergiesUpperEdgeListIter
◆ EnergiesVertex
◆ DecomposeAndReweightEnergiesCalculator()
protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::DecomposeAndReweightEnergiesCalculator |
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std::string const & |
NameOfResidueDecompositionCalculator | ) |
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◆ clear_energies()
void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::clear_energies |
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◆ clone()
◆ component() [1/2]
EnergiesData & protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::component |
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core::Size |
index | ) |
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◆ component() [2/2]
EnergiesData const & protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::component |
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core::Size |
index | ) |
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References num_components(), num_sets(), onebody_energies_, other_energies_, and twobody_energies_.
Referenced by clear_energies(), master_weight_vector(), nonzero_weight_score_types(), recompute(), update_original_weights(), update_weighted_total(), weighted_energy_map_vector(), weighted_total_no_master_vector(), and weighted_total_vector().
◆ lookup()
void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::lookup |
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std::string const & |
key, |
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basic::MetricValueBase * |
valptr |
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overrideprotectedvirtual |
◆ master_weight_vector() [1/2]
utility::vector1< core::Real > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::master_weight_vector |
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◆ master_weight_vector() [2/2]
void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::master_weight_vector |
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utility::vector1< core::Real > const & |
master_weight_vector | ) |
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◆ names_vector()
utility::vector1< std::string > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::names_vector |
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◆ nonzero_weight_score_types()
utility::vector1< core::scoring::ScoreType > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::nonzero_weight_score_types |
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◆ num_components()
core::Size protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::num_components |
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◆ num_sets() [1/2]
core::Size protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::num_sets |
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◆ num_sets() [2/2]
void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::num_sets |
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core::Size |
num_sets | ) |
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◆ onebody_energies()
utility::vector1<EnergiesData> const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::onebody_energies |
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const |
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◆ original_weights()
core::scoring::EnergyMap const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::original_weights |
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const |
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◆ other_energies()
EnergiesData const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::other_energies |
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const |
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◆ print()
std::string protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::print |
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std::string const & |
key | ) |
const |
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overrideprotectedvirtual |
◆ recompute()
void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::recompute |
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core::pose::Pose const & |
this_pose | ) |
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Implements core::pose::metrics::EnergyDependentCalculator.
References clear_energies(), component(), core::pose::Pose::energies(), core::scoring::Energies::energies_updated(), core::scoring::Energies::energy_graph(), protocols::pose_metric_calculators::EnergiesData::energy_map(), core::scoring::Energies::long_range_container(), core::pose::Pose::metric(), core::scoring::methods::n_long_range_types, name_of_ResidueDecompositionCalculator_, num_components(), num_sets(), core::scoring::Energies::onebody_energies(), onebody_energies_, original_weights_, other_energies_, set_names_, core::pose::Pose::size(), core::scoring::Energies::total_energies(), twobody_energies_, update_original_weights(), update_weighted_total(), and core::scoring::Energies::weights().
◆ residue_decomposition_calculator()
std::string const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::residue_decomposition_calculator |
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const |
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◆ set_names()
utility::vector1<std::string> const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::set_names |
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◆ show()
void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::show |
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std::ostream & |
out | ) |
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◆ twobody_energies()
EnergiesGraph const& protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::twobody_energies |
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const |
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◆ update_original_weights()
void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::update_original_weights |
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◆ update_weighted_total()
void protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::update_weighted_total |
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◆ weighted_energy_map_vector()
utility::vector1< core::scoring::EnergyMap > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_energy_map_vector |
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◆ weighted_total()
core::Real protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_total |
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const |
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◆ weighted_total_no_master_vector()
utility::vector1< core::Real > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_total_no_master_vector |
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◆ weighted_total_vector()
utility::vector1< core::Real > protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_total_vector |
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◆ name_of_ResidueDecompositionCalculator_
std::string protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::name_of_ResidueDecompositionCalculator_ |
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◆ onebody_energies_
utility::vector1<EnergiesData> protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::onebody_energies_ |
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◆ original_weights_
◆ other_energies_
EnergiesData protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::other_energies_ |
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◆ set_names_
utility::vector1<std::string> protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::set_names_ |
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◆ twobody_energies_
EnergiesGraph protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::twobody_energies_ |
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◆ weighted_total_
core::Real protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_total_ |
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The documentation for this class was generated from the following files: