protocols::toolbox::pose_metric_calculators::HPatchCalculator Class Reference

#include <HPatchCalculator.hh>

Inheritance diagram for protocols::toolbox::pose_metric_calculators::HPatchCalculator:

Collaboration diagram for protocols::toolbox::pose_metric_calculators::HPatchCalculator:

Public Member Functions
	HPatchCalculator (bool remove_nonprotein_res=false)
	~HPatchCalculator ()
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::Real	total_hpatch_score_
bool	remove_nonprotein_res_
std::map< Size, std::pair < core::Real, core::Real > >	patch_scores_
std::map< Size, utility::vector1 < core::id::AtomID > >	atoms_in_patches_

Detailed Description

Definition at line 31 of file HPatchCalculator.hh.

Constructor & Destructor Documentation

protocols::toolbox::pose_metric_calculators::HPatchCalculator::HPatchCalculator

(

bool

remove_nonprotein_res = false)

Definition at line 44 of file HPatchCalculator.cc.

Referenced by clone().

protocols::toolbox::pose_metric_calculators::HPatchCalculator::~HPatchCalculator

(

)

Definition at line 48 of file HPatchCalculator.cc.

Member Function Documentation

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

inlinevirtual

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

Definition at line 38 of file HPatchCalculator.hh.

References HPatchCalculator(), and remove_nonprotein_res_.

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

protectedvirtual

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

Definition at line 51 of file HPatchCalculator.cc.

References atoms_in_patches_, patch_scores_, and total_hpatch_score_.

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

protectedvirtual

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

Definition at line 74 of file HPatchCalculator.cc.

References total_hpatch_score_.

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

protectedvirtual

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

Definition at line 91 of file HPatchCalculator.cc.

References atoms_in_patches_, core::chemical::ResidueType::is_protein(), patch_scores_, protocols::toolbox::pose_manipulation::remove_non_protein_residues(), remove_nonprotein_res_, core::pose::Pose::residue_type(), total_hpatch_score_, and core::pose::Pose::total_residue().

Member Data Documentation

std::map< Size, utility::vector1< core::id::AtomID > > protocols::toolbox::pose_metric_calculators::HPatchCalculator::atoms_in_patches_

private

Definition at line 49 of file HPatchCalculator.hh.

Referenced by lookup(), and recompute().

std::map< Size, std::pair< core::Real, core::Real > > protocols::toolbox::pose_metric_calculators::HPatchCalculator::patch_scores_

private

Definition at line 48 of file HPatchCalculator.hh.

Referenced by lookup(), and recompute().

bool protocols::toolbox::pose_metric_calculators::HPatchCalculator::remove_nonprotein_res_

private

Definition at line 47 of file HPatchCalculator.hh.

Referenced by clone(), and recompute().

core::Real protocols::toolbox::pose_metric_calculators::HPatchCalculator::total_hpatch_score_

private

Definition at line 46 of file HPatchCalculator.hh.

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

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

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