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

#include <PackstatCalculator.hh>

Inheritance diagram for protocols::pose_metric_calculators::PackstatCalculator:
Inheritance graph
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Public Member Functions

 PackstatCalculator (core::Size oversample=basic::options::option[basic::options::OptionKeys::packstat::oversample], bool remove_nonprotein_res=false)
 
 PackstatCalculator (std::set< core::Size > const &special_region, core::Size oversample=basic::options::option[basic::options::OptionKeys::packstat::oversample], bool remove_nonprotein_res=false)
 
core::pose::metrics::PoseMetricCalculatorOP clone () const override
 
- Public Member Functions inherited from core::pose::metrics::StructureDependentCalculator
 StructureDependentCalculator ()
 
void notify_structure_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_energy_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
 this function doesn't actually recompute anything by itself, but calls the More...
 

Private Attributes

core::Real total_packstat_
 
core::Real special_region_packstat_
 
utility::vector1< core::Realresidue_packstat_
 
core::Size oversample_
 
bool remove_nonprotein_res_
 
std::set< core::Sizespecial_region_
 

Constructor & Destructor Documentation

protocols::pose_metric_calculators::PackstatCalculator::PackstatCalculator ( core::Size  oversample = basic::options::option[basic::options::OptionKeys::packstat::oversample],
bool  remove_nonprotein_res = false 
)
protocols::pose_metric_calculators::PackstatCalculator::PackstatCalculator ( std::set< core::Size > const &  special_region,
core::Size  oversample = basic::options::option[basic::options::OptionKeys::packstat::oversample],
bool  remove_nonprotein_res = false 
)

References residue_packstat_.

Member Function Documentation

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

Member Data Documentation

core::Size protocols::pose_metric_calculators::PackstatCalculator::oversample_
private

Referenced by clone(), and recompute().

bool protocols::pose_metric_calculators::PackstatCalculator::remove_nonprotein_res_
private

Referenced by recompute().

utility::vector1< core::Real > protocols::pose_metric_calculators::PackstatCalculator::residue_packstat_
private
std::set< core::Size > protocols::pose_metric_calculators::PackstatCalculator::special_region_
private
core::Real protocols::pose_metric_calculators::PackstatCalculator::special_region_packstat_
private

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

core::Real protocols::pose_metric_calculators::PackstatCalculator::total_packstat_
private

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


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