core::pose::metrics::simple_calculators::SasaCalculatorLegacy Class Reference

#include <SasaCalculatorLegacy.hh>

Public Member Functions
	SasaCalculatorLegacy (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_

Constructor & Destructor Documentation

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

inline

Member Function Documentation

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

inlinevirtual

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

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

protectedvirtual

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

References basic::check_cast(), basic::Error(), and utility_exit.

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

protectedvirtual

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

References basic::Error(), utility::to_string(), and utility_exit.

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

protectedvirtual

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

References core::scoring::calc_per_atom_sasa().

Member Data Documentation

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

private

core::Real core::pose::metrics::simple_calculators::SasaCalculatorLegacy::probe_radius_

private

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

private

core::Real core::pose::metrics::simple_calculators::SasaCalculatorLegacy::total_sasa_

private

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

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