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non_scorefxn_exact_model.cc File Reference
#include <core/scoring/geometric_solvation/ExactOccludedHbondSolEnergy.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/conformation/Atom.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/etable/Etable.hh>
#include <core/scoring/etable/EtableOptions.hh>
#include <core/scoring/TenANeighborGraph.hh>
#include <basic/Tracer.hh>
#include <core/scoring/hbonds/HBEvalTuple.hh>
#include <core/scoring/hbonds/hbonds_geom.hh>
#include <core/scoring/hbonds/types.hh>
#include <numeric/xyzVector.hh>
#include <numeric/xyzMatrix.hh>
#include <utility/vector1.hh>
#include <cmath>
#include <iostream>
#include <iomanip>
#include <map>
#include <core/chemical/AtomType.hh>
#include <core/conformation/Residue.hh>
#include <core/kinematics/Jump.hh>
#include <numeric/xyz.functions.hh>

Namespaces

 core
 A class for defining atom parameters, known as atom_types.
 
 core::scoring
 
 core::scoring::geometric_solvation
 

Constant Groups

 core
 A class for defining atom parameters, known as atom_types.
 
 core::scoring
 
 core::scoring::geometric_solvation
 

Functions

static basic::Tracer TR ("core.scoring.geometric_solvation.exact_model")
 
void core::scoring::geometric_solvation::add_to_individual_sol_energies (pose::Pose &input_pose, core::Size const polar_resnum, core::Size const polar_atomno, core::scoring::etable::EtableOP etable_ptr, GridInfo const &grid_info, core::Real const &grid_constant, std::vector< std::vector< std::vector< core::Real > > > const &water_weights, std::vector< std::vector< std::vector< bool > > > &occluded_sites, bool const hydrogens_can_occlude, bool const pairwise_additive, bool const pairwise_additive_output, utility::vector1< core::Real > &residue_energies)
 
core::Real core::scoring::geometric_solvation::compute_exact_geosol (pose::Pose &input_pose, bool const hydrogens_can_occlude, bool const pairwise_additive, bool const pairwise_additive_output, utility::vector1< core::Real > &residue_energies)
 

Variables

core::Real const core::scoring::geometric_solvation::LK_MATCHING_WEIGHT_OLD_EXACT = { 0.23968 }
 

Function Documentation

static basic::Tracer TR ( "core.scoring.geometric_solvation.exact_model"  )
static
Author
jk