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Rosetta
2020.50
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#include <PoseMetricCalculatorBase.hh>
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 |
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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_ |
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inline |
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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().
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inlineoverridevirtual |
Implements core::pose::metrics::PoseMetricCalculator.
References energies_are_outdated_, print(), and recompute().
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overrideprotectedpure virtual |
Implements core::pose::metrics::PoseMetricCalculator.
Implemented in protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator, 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().
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inlineoverridevirtual |
Reimplemented from core::pose::metrics::PoseMetricCalculator.
References energies_are_outdated_.
Referenced by protocols::simple_pose_metric_calculators::BuriedUnsatisfiedPolarsCalculator::set_special_region().
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overrideprotectedpure virtual |
Implements core::pose::metrics::PoseMetricCalculator.
Implemented in protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator, 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().
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overrideprotectedpure virtual |
Implements core::pose::metrics::PoseMetricCalculator.
Implemented in protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator, 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().
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private |
Referenced by get(), and notify_energy_change().