core::pose::metrics::simple_calculators::SasaCalculator Class Reference

#include <SasaCalculator.hh>

Inheritance diagram for core::pose::metrics::simple_calculators::SasaCalculator:

Collaboration diagram for core::pose::metrics::simple_calculators::SasaCalculator:

Public Member Functions
	SasaCalculator (core::Real probe_r=basic::options::option[basic::options::OptionKeys::pose_metrics::sasa_calculator_probe_radius])
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_sasa_
core::id::AtomID_Map< core::Real >	atom_sasa_
utility::vector1< core::Real >	residue_sasa_
core::Real	probe_radius_

Detailed Description

Definition at line 39 of file SasaCalculator.hh.

Constructor & Destructor Documentation

core::pose::metrics::simple_calculators::SasaCalculator::SasaCalculator ( core::Real  probe_r = basic::options::option[basic::options::OptionKeys::pose_metrics::sasa_calculator_probe_radius])

inline

Definition at line 43 of file SasaCalculator.hh.

Member Function Documentation

core::pose::metrics::PoseMetricCalculatorOP core::pose::metrics::simple_calculators::SasaCalculator::clone ( ) const

inlinevirtual

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

Definition at line 45 of file SasaCalculator.hh.

void core::pose::metrics::simple_calculators::SasaCalculator::lookup ( std::string const &  key, basic::MetricValueBase *  valptr  ) const

protectedvirtual

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

Definition at line 40 of file SasaCalculator.cc.

std::string core::pose::metrics::simple_calculators::SasaCalculator::print ( std::string const &  key) const

protectedvirtual

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

Definition at line 62 of file SasaCalculator.cc.

void core::pose::metrics::simple_calculators::SasaCalculator::recompute ( core::pose::Pose const &  this_pose)

protectedvirtual

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

Definition at line 80 of file SasaCalculator.cc.

References core::scoring::calc_per_atom_sasa().

Member Data Documentation

core::id::AtomID_Map< core::Real > core::pose::metrics::simple_calculators::SasaCalculator::atom_sasa_

private

Definition at line 55 of file SasaCalculator.hh.

core::Real core::pose::metrics::simple_calculators::SasaCalculator::probe_radius_

private

Definition at line 57 of file SasaCalculator.hh.

utility::vector1< core::Real > core::pose::metrics::simple_calculators::SasaCalculator::residue_sasa_

private

Definition at line 56 of file SasaCalculator.hh.

core::Real core::pose::metrics::simple_calculators::SasaCalculator::total_sasa_

private

Definition at line 54 of file SasaCalculator.hh.

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

• src/core/pose/metrics/simple_calculators/SasaCalculator.hh
• src/core/pose/metrics/simple_calculators/SasaCalculator.cc