core::scoring::SASAPotential Class Reference

#include <SASAPotential.hh>

Inheritance diagram for core::scoring::SASAPotential:

Public Types
typedef core::conformation::Residue	Residue

Public Member Functions
	SASAPotential ()
	ctor More...
void	setup_for_scoring (pose::Pose &pose) const
Real	get_res_res_sasa (Residue const &rsd1, Residue const &rsd2) const
void	eval_residue_pair_derivatives (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, Real const &factor, utility::vector1< DerivVectorPair > &r1_atom_derivs, utility::vector1< DerivVectorPair > &r2_atom_derivs) const
Size &	vertex_count ()

Private Attributes
Size	vertex_count_
power_diagram::PowerDiagramOP	pd_

Member Typedef Documentation

Residue

typedef core::conformation::Residue core::scoring::SASAPotential::Residue

Constructor & Destructor Documentation

SASAPotential()

core::scoring::SASAPotential::SASAPotential ( )

inline

ctor

References pd_.

Member Function Documentation

eval_residue_pair_derivatives()

void core::scoring::SASAPotential::eval_residue_pair_derivatives	(	conformation::Residue const &	rsd1,
		conformation::Residue const &	rsd2,
		pose::Pose const &	pose,
		Real const &	factor,
		utility::vector1< DerivVectorPair > &	r1_atom_derivs,
		utility::vector1< DerivVectorPair > &	r2_atom_derivs
	)		const

References core::scoring::power_diagram::PDsphere::cycles(), core::scoring::power_diagram::get_derivs_from_cycles(), core::conformation::Residue::is_virtual(), core::conformation::Residue::natoms(), and core::conformation::Residue::seqpos().

Referenced by core::energy_methods::SASAEnergy::eval_intrares_derivatives(), and core::energy_methods::SASAEnergy::eval_residue_pair_derivatives().

get_res_res_sasa()

Real core::scoring::SASAPotential::get_res_res_sasa	(	Residue const &	rsd1,
		Residue const &	rsd2
	)		const

References core::conformation::Residue::is_virtual(), core::conformation::Residue::natoms(), and core::conformation::Residue::seqpos().

Referenced by core::energy_methods::SASAEnergy::eval_intrares_energy(), core::energy_methods::SASAEnergy::eval_intrares_energy_ext(), core::energy_methods::SASAEnergy::residue_pair_energy(), and core::energy_methods::SASAEnergy::residue_pair_energy_ext().

setup_for_scoring()

void core::scoring::SASAPotential::setup_for_scoring

(

pose::Pose &

pose

)

const

Referenced by core::energy_methods::SASAEnergy::setup_for_derivatives(), and core::energy_methods::SASAEnergy::setup_for_scoring().

vertex_count()

Size& core::scoring::SASAPotential::vertex_count ( )

inline

References vertex_count_.

Member Data Documentation

pd_

power_diagram::PowerDiagramOP core::scoring::SASAPotential::pd_

private

Referenced by SASAPotential().

vertex_count_

Size core::scoring::SASAPotential::vertex_count_

private

Referenced by vertex_count().

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

• src/core/scoring/SASAPotential.hh
• src/core/scoring/SASAPotential.cc