Rosetta  2021.07
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Public Member Functions | Protected Member Functions | Private Attributes | List of all members
core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator Class Reference

#include <InterfaceDeltaEnergeticsCalculator.hh>

Inheritance diagram for core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator:
Inheritance graph
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Public Member Functions

 InterfaceDeltaEnergeticsCalculator (std::string const &NameOfInterfaceNeighborDefinitionCalculator)
 
 InterfaceDeltaEnergeticsCalculator (std::string const &NameOfInterfaceNeighborDefinitionCalculator, utility::vector1< core::scoring::ScoreType > const &score_types_to_ignore)
 
 InterfaceDeltaEnergeticsCalculator (core::Size const chain1_number, core::Size const chain2_number)
 
 InterfaceDeltaEnergeticsCalculator (char const chain1_letter, char const chain2_letter)
 
core::pose::metrics::PoseMetricCalculatorOP clone () const override
 
- 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 Attributes

std::string name_of_InterfaceNeighborDefinitionCalculator_
 
utility::vector1
< core::scoring::ScoreType
score_types_to_ignore_
 
core::scoring::EnergyMap delta_energies_unweighted_
 
core::scoring::EnergyMap weights_
 
core::Real weighted_total_
 

Constructor & Destructor Documentation

core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::InterfaceDeltaEnergeticsCalculator ( std::string const &  NameOfInterfaceNeighborDefinitionCalculator)
core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::InterfaceDeltaEnergeticsCalculator ( std::string const &  NameOfInterfaceNeighborDefinitionCalculator,
utility::vector1< core::scoring::ScoreType > const &  score_types_to_ignore 
)
core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::InterfaceDeltaEnergeticsCalculator ( core::Size const  chain1_number,
core::Size const  chain2_number 
)
core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::InterfaceDeltaEnergeticsCalculator ( char const  chain1_letter,
char const  chain2_letter 
)

Member Function Documentation

core::pose::metrics::PoseMetricCalculatorOP core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::clone ( ) const
inlineoverridevirtual
void core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::lookup ( std::string const &  key,
basic::MetricValueBase *  valptr 
) const
overrideprotectedvirtual
std::string core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::print ( std::string const &  key) const
overrideprotectedvirtual
void core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::recompute ( core::pose::Pose const &  this_pose)
overrideprotectedvirtual

Member Data Documentation

core::scoring::EnergyMap core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::delta_energies_unweighted_
private

Referenced by lookup(), print(), and recompute().

std::string core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::name_of_InterfaceNeighborDefinitionCalculator_
private
utility::vector1<core::scoring::ScoreType> core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::score_types_to_ignore_
private
core::Real core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::weighted_total_
private

Referenced by lookup(), print(), and recompute().

core::scoring::EnergyMap core::pose::metrics::simple_calculators::InterfaceDeltaEnergeticsCalculator::weights_
private

Referenced by lookup(), print(), and recompute().


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