core::scoring::geometric_solvation::GridInfo Class Reference

#include <ExactOccludedHbondSolEnergy.hh>

Collaboration diagram for core::scoring::geometric_solvation::GridInfo:

Public Member Functions
core::Size	xnum_points () const
core::Size	ynum_points () const
core::Size	znum_points () const
core::Real	xstep () const
core::Real	ystep () const
core::Real	zstep () const
core::Real	xorigin () const
core::Real	yorigin () const
core::Real	zorigin () const

Static Public Member Functions
static GridInfo *	get_instance ()

Private Member Functions
	GridInfo ()

Private Attributes
core::Size	xnum_points_
core::Size	ynum_points_
core::Size	znum_points_
core::Real	xstep_
core::Real	ystep_
core::Real	zstep_
core::Real	xorigin_
core::Real	yorigin_
core::Real	zorigin_

Static Private Attributes
static GridInfo *	instance_

Detailed Description

Definition at line 46 of file ExactOccludedHbondSolEnergy.hh.

Constructor & Destructor Documentation

core::scoring::geometric_solvation::GridInfo::GridInfo ( )

private

Definition at line 151 of file ExactOccludedHbondSolEnergy.cc.

Member Function Documentation

GridInfo * core::scoring::geometric_solvation::GridInfo::get_instance ( )

static

Definition at line 140 of file ExactOccludedHbondSolEnergy.cc.

Referenced by core::scoring::geometric_solvation::compute_exact_geosol(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::compute_polar_group_sol_energy(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::ExactOccludedHbondSolEnergy(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::residue_energy(), and core::scoring::geometric_solvation::WaterWeightGridSet::WaterWeightGridSet().

core::Size core::scoring::geometric_solvation::GridInfo::xnum_points ( ) const

inline

Definition at line 52 of file ExactOccludedHbondSolEnergy.hh.

References xnum_points_.

Referenced by core::scoring::geometric_solvation::add_to_individual_sol_energies(), core::scoring::geometric_solvation::compute_exact_geosol(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::compute_polar_group_sol_energy(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::ExactOccludedHbondSolEnergy(), and core::scoring::geometric_solvation::WaterWeightGridSet::fill_water_grid().

core::Real core::scoring::geometric_solvation::GridInfo::xorigin ( ) const

inline

Definition at line 58 of file ExactOccludedHbondSolEnergy.hh.

References xorigin_.

Referenced by core::scoring::geometric_solvation::add_to_individual_sol_energies(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::compute_polar_group_sol_energy(), and core::scoring::geometric_solvation::WaterWeightGridSet::fill_water_grid().

core::Real core::scoring::geometric_solvation::GridInfo::xstep ( ) const

inline

Definition at line 55 of file ExactOccludedHbondSolEnergy.hh.

References xstep_.

Referenced by core::scoring::geometric_solvation::add_to_individual_sol_energies(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::compute_polar_group_sol_energy(), and core::scoring::geometric_solvation::WaterWeightGridSet::fill_water_grid().

core::Size core::scoring::geometric_solvation::GridInfo::ynum_points ( ) const

inline

Definition at line 53 of file ExactOccludedHbondSolEnergy.hh.

References ynum_points_.

Referenced by core::scoring::geometric_solvation::add_to_individual_sol_energies(), core::scoring::geometric_solvation::compute_exact_geosol(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::compute_polar_group_sol_energy(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::ExactOccludedHbondSolEnergy(), and core::scoring::geometric_solvation::WaterWeightGridSet::fill_water_grid().

core::Real core::scoring::geometric_solvation::GridInfo::yorigin ( ) const

inline

Definition at line 59 of file ExactOccludedHbondSolEnergy.hh.

References yorigin_.

Referenced by core::scoring::geometric_solvation::add_to_individual_sol_energies(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::compute_polar_group_sol_energy(), and core::scoring::geometric_solvation::WaterWeightGridSet::fill_water_grid().

core::Real core::scoring::geometric_solvation::GridInfo::ystep ( ) const

inline

Definition at line 56 of file ExactOccludedHbondSolEnergy.hh.

References ystep_.

Referenced by core::scoring::geometric_solvation::add_to_individual_sol_energies(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::compute_polar_group_sol_energy(), and core::scoring::geometric_solvation::WaterWeightGridSet::fill_water_grid().

core::Size core::scoring::geometric_solvation::GridInfo::znum_points ( ) const

inline

Definition at line 54 of file ExactOccludedHbondSolEnergy.hh.

References znum_points_.

Referenced by core::scoring::geometric_solvation::add_to_individual_sol_energies(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::compute_polar_group_sol_energy(), and core::scoring::geometric_solvation::WaterWeightGridSet::fill_water_grid().

core::Real core::scoring::geometric_solvation::GridInfo::zorigin ( ) const

inline

Definition at line 60 of file ExactOccludedHbondSolEnergy.hh.

References zorigin_.

Referenced by core::scoring::geometric_solvation::add_to_individual_sol_energies(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::compute_polar_group_sol_energy(), and core::scoring::geometric_solvation::WaterWeightGridSet::fill_water_grid().

core::Real core::scoring::geometric_solvation::GridInfo::zstep ( ) const

inline

Definition at line 57 of file ExactOccludedHbondSolEnergy.hh.

References zstep_.

Referenced by core::scoring::geometric_solvation::add_to_individual_sol_energies(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::compute_polar_group_sol_energy(), and core::scoring::geometric_solvation::WaterWeightGridSet::fill_water_grid().

Member Data Documentation

GridInfo * core::scoring::geometric_solvation::GridInfo::instance_

staticprivate

Definition at line 65 of file ExactOccludedHbondSolEnergy.hh.

core::Size core::scoring::geometric_solvation::GridInfo::xnum_points_

private

Definition at line 68 of file ExactOccludedHbondSolEnergy.hh.

Referenced by xnum_points().

core::Real core::scoring::geometric_solvation::GridInfo::xorigin_

private

Definition at line 70 of file ExactOccludedHbondSolEnergy.hh.

Referenced by xorigin().

core::Real core::scoring::geometric_solvation::GridInfo::xstep_

private

Definition at line 69 of file ExactOccludedHbondSolEnergy.hh.

Referenced by xstep().

core::Size core::scoring::geometric_solvation::GridInfo::ynum_points_

private

Definition at line 68 of file ExactOccludedHbondSolEnergy.hh.

Referenced by ynum_points().

core::Real core::scoring::geometric_solvation::GridInfo::yorigin_

private

Definition at line 70 of file ExactOccludedHbondSolEnergy.hh.

Referenced by yorigin().

core::Real core::scoring::geometric_solvation::GridInfo::ystep_

private

Definition at line 69 of file ExactOccludedHbondSolEnergy.hh.

Referenced by ystep().

core::Size core::scoring::geometric_solvation::GridInfo::znum_points_

private

Definition at line 68 of file ExactOccludedHbondSolEnergy.hh.

Referenced by znum_points().

core::Real core::scoring::geometric_solvation::GridInfo::zorigin_

private

Definition at line 70 of file ExactOccludedHbondSolEnergy.hh.

Referenced by zorigin().

core::Real core::scoring::geometric_solvation::GridInfo::zstep_

private

Definition at line 69 of file ExactOccludedHbondSolEnergy.hh.

Referenced by zstep().

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

• src/core/scoring/geometric_solvation/ExactOccludedHbondSolEnergy.hh
• src/core/scoring/geometric_solvation/ExactOccludedHbondSolEnergy.cc