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

#include <SaltBridgeCalculator.hh>

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

 SaltBridgeCalculator ()
 default constructor sets distance_cutoff to 3.2. This is what is usually defined as a Hbond between heavy atom and Hydrogen More...
 
 SaltBridgeCalculator (core::Real dist_cutoff)
 constructur where you define what the distance cutoff is for the salt bridge More...
 
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
 not sure why they name this function recompute as you are actually computing the metric. Whateva More...
 

Private Attributes

core::Real distance_cutoff_
 
core::Size salt_bridge_total_
 

Constructor & Destructor Documentation

protocols::pose_metric_calculators::SaltBridgeCalculator::SaltBridgeCalculator ( )

default constructor sets distance_cutoff to 3.2. This is what is usually defined as a Hbond between heavy atom and Hydrogen

protocols::pose_metric_calculators::SaltBridgeCalculator::SaltBridgeCalculator ( core::Real  dist_cutoff)

constructur where you define what the distance cutoff is for the salt bridge

Member Function Documentation

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

not sure why they name this function recompute as you are actually computing the metric. Whateva

Implements core::pose::metrics::StructureDependentCalculator.

References core::kinematics::distance(), distance_cutoff_, core::pose::Pose::residue(), salt_bridge_total_, and core::pose::Pose::size().

Member Data Documentation

core::Real protocols::pose_metric_calculators::SaltBridgeCalculator::distance_cutoff_
private

Referenced by recompute().

core::Size protocols::pose_metric_calculators::SaltBridgeCalculator::salt_bridge_total_
private

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


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