protocols::toolbox::pose_metric_calculators::ClashCountCalculator Class Reference

#include <ClashCountCalculator.hh>

Inheritance diagram for protocols::toolbox::pose_metric_calculators::ClashCountCalculator:

Collaboration diagram for protocols::toolbox::pose_metric_calculators::ClashCountCalculator:

Public Member Functions
	ClashCountCalculator (core::Real clash_threshold)
core::pose::metrics::PoseMetricCalculatorOP	clone () const
Public Member Functions inherited from core::pose::metrics::StructureDependentCalculator
	StructureDependentCalculator ()
void	notify_structure_change ()
void	get (std::string const &key, basic::MetricValueBase &val, Pose const &this_pose)
std::string	get (std::string const &key, Pose const &this_pose)
Public Member Functions inherited from core::pose::metrics::PoseMetricCalculator
	PoseMetricCalculator ()
virtual void	notify_energy_change ()

Protected Member Functions
virtual void	lookup (std::string const &key, basic::MetricValueBase *valptr) const
virtual std::string	print (std::string const &key) const
virtual void	recompute (core::pose::Pose const &this_pose)

Private Attributes
core::Size	total_clashes_
core::Real	clash_threshold_
core::Size	bb_clashes_
core::Real const	vdw_scale_factor_

Detailed Description

Definition at line 37 of file ClashCountCalculator.hh.

Constructor & Destructor Documentation

protocols::toolbox::pose_metric_calculators::ClashCountCalculator::ClashCountCalculator

(

core::Real

clash_threshold)

Definition at line 48 of file ClashCountCalculator.cc.

Referenced by clone().

Member Function Documentation

core::pose::metrics::PoseMetricCalculatorOP protocols::toolbox::pose_metric_calculators::ClashCountCalculator::clone ( ) const

inlinevirtual

Implements core::pose::metrics::PoseMetricCalculator.

Definition at line 43 of file ClashCountCalculator.hh.

References clash_threshold_, and ClashCountCalculator().

void protocols::toolbox::pose_metric_calculators::ClashCountCalculator::lookup ( std::string const &  key, basic::MetricValueBase *  valptr  ) const

protectedvirtual

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

Definition at line 53 of file ClashCountCalculator.cc.

References bb_clashes_, and total_clashes_.

std::string protocols::toolbox::pose_metric_calculators::ClashCountCalculator::print ( std::string const &  key) const

protectedvirtual

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

Definition at line 68 of file ClashCountCalculator.cc.

void protocols::toolbox::pose_metric_calculators::ClashCountCalculator::recompute ( core::pose::Pose const &  this_pose)

protectedvirtual

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

Definition at line 87 of file ClashCountCalculator.cc.

References bb_clashes_, core::chemical::CENTROID, clash_threshold_, core::scoring::ScoringManager::get_instance(), core::pose::Pose::is_fullatom(), core::pose::Pose::residue(), total_clashes_, core::pose::Pose::total_residue(), protocols::toolbox::tr(), and vdw_scale_factor_.

Member Data Documentation

core::Size protocols::toolbox::pose_metric_calculators::ClashCountCalculator::bb_clashes_

private

Definition at line 54 of file ClashCountCalculator.hh.

Referenced by lookup(), and recompute().

core::Real protocols::toolbox::pose_metric_calculators::ClashCountCalculator::clash_threshold_

private

Definition at line 53 of file ClashCountCalculator.hh.

Referenced by clone(), and recompute().

core::Size protocols::toolbox::pose_metric_calculators::ClashCountCalculator::total_clashes_

private

Definition at line 52 of file ClashCountCalculator.hh.

Referenced by lookup(), and recompute().

core::Real const protocols::toolbox::pose_metric_calculators::ClashCountCalculator::vdw_scale_factor_

private

Definition at line 57 of file ClashCountCalculator.hh.

Referenced by recompute().

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

• src/protocols/toolbox/pose_metric_calculators/ClashCountCalculator.hh
• src/protocols/toolbox/pose_metric_calculators/ClashCountCalculator.cc