protocols::toolbox::pose_metric_calculators::SurfaceCalculator Class Reference

#include <SurfaceCalculator.hh>

Inheritance diagram for protocols::toolbox::pose_metric_calculators::SurfaceCalculator:

Collaboration diagram for protocols::toolbox::pose_metric_calculators::SurfaceCalculator:

Public Member Functions
	SurfaceCalculator (bool remove_nonprotein_res=false)
	~SurfaceCalculator ()
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_surface_energy_
bool	remove_nonprotein_res_
utility::vector1< core::Real >	residue_surface_energy_

Detailed Description

Definition at line 31 of file SurfaceCalculator.hh.

Constructor & Destructor Documentation

protocols::toolbox::pose_metric_calculators::SurfaceCalculator::SurfaceCalculator

(

bool

remove_nonprotein_res = false)

Definition at line 42 of file SurfaceCalculator.cc.

Referenced by clone().

protocols::toolbox::pose_metric_calculators::SurfaceCalculator::~SurfaceCalculator

(

)

Definition at line 46 of file SurfaceCalculator.cc.

Member Function Documentation

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

inlinevirtual

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

Definition at line 40 of file SurfaceCalculator.hh.

References remove_nonprotein_res_, and SurfaceCalculator().

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

protectedvirtual

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

Definition at line 49 of file SurfaceCalculator.cc.

References residue_surface_energy_, and total_surface_energy_.

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

protectedvirtual

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

Definition at line 68 of file SurfaceCalculator.cc.

References residue_surface_energy_, and total_surface_energy_.

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

protectedvirtual

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

Definition at line 99 of file SurfaceCalculator.cc.

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

Member Data Documentation

bool protocols::toolbox::pose_metric_calculators::SurfaceCalculator::remove_nonprotein_res_

private

Definition at line 51 of file SurfaceCalculator.hh.

Referenced by clone(), and recompute().

utility::vector1< core::Real > protocols::toolbox::pose_metric_calculators::SurfaceCalculator::residue_surface_energy_

private

Definition at line 52 of file SurfaceCalculator.hh.

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

core::Real protocols::toolbox::pose_metric_calculators::SurfaceCalculator::total_surface_energy_

private

Definition at line 50 of file SurfaceCalculator.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/SurfaceCalculator.hh
• src/protocols/toolbox/pose_metric_calculators/SurfaceCalculator.cc