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core::scoring::geometric_solvation::WaterWeightGridSet Class Reference

#include <ExactOccludedHbondSolEnergy.hh>

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Public Member Functions

std::vector< std::vector
< std::vector< core::Real >
> > const & 
get_water_weight_grid (hbonds::HBEvalType const &hbond_eval_type) const
 
core::Real get_sum_water_weight_grid (hbonds::HBEvalType const &hbond_eval_type) const
 

Static Public Member Functions

static WaterWeightGridSetget_instance ()
 

Private Member Functions

 WaterWeightGridSet ()
 
core::Real fill_water_grid (std::vector< std::vector< std::vector< core::Real > > > &water_weights, hbonds::HBEvalTuple const &hbond_eval_type, GridInfo const &grid_info, bool const water_is_donor)
 

Private Attributes

std::map< hbonds::HBEvalType,
std::vector< std::vector
< std::vector< core::Real > > > > 
all_water_weights_
 
std::map< hbonds::HBEvalType,
core::Real
sum_all_water_weights_
 
hbonds::HBondOptionsOP hbondoptions_
 
hbonds::HBondDatabaseCOP hb_database_
 

Static Private Attributes

static WaterWeightGridSetinstance_
 

Constructor & Destructor Documentation

core::scoring::geometric_solvation::WaterWeightGridSet::WaterWeightGridSet ( )
private

Member Function Documentation

core::Real core::scoring::geometric_solvation::WaterWeightGridSet::fill_water_grid ( std::vector< std::vector< std::vector< core::Real > > > &  water_weights,
hbonds::HBEvalTuple const &  hbond_eval_type,
GridInfo const &  grid_info,
bool const  water_is_donor 
)
private
WaterWeightGridSet * core::scoring::geometric_solvation::WaterWeightGridSet::get_instance ( )
static
core::Real core::scoring::geometric_solvation::WaterWeightGridSet::get_sum_water_weight_grid ( hbonds::HBEvalType const &  hbond_eval_type) const
std::vector< std::vector< std::vector< core::Real > > > const & core::scoring::geometric_solvation::WaterWeightGridSet::get_water_weight_grid ( hbonds::HBEvalType const &  hbond_eval_type) const

Member Data Documentation

std::map< hbonds::HBEvalType, std::vector < std::vector < std::vector <core::Real> > > > core::scoring::geometric_solvation::WaterWeightGridSet::all_water_weights_
private
hbonds::HBondDatabaseCOP core::scoring::geometric_solvation::WaterWeightGridSet::hb_database_
private

Referenced by fill_water_grid().

hbonds::HBondOptionsOP core::scoring::geometric_solvation::WaterWeightGridSet::hbondoptions_
private
WaterWeightGridSet * core::scoring::geometric_solvation::WaterWeightGridSet::instance_
staticprivate
std::map< hbonds::HBEvalType, core::Real> core::scoring::geometric_solvation::WaterWeightGridSet::sum_all_water_weights_
private

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