GeometricSolEnergyEvaluator.cc File Reference

#include <core/scoring/geometric_solvation/GeometricSolEnergyEvaluator.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergiesCacheableDataType.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/etable/count_pair/CountPairFunction.hh>
#include <core/scoring/etable/count_pair/CountPairFactory.hh>
#include <core/scoring/etable/count_pair/CountPairNone.hh>
#include <core/scoring/etable/count_pair/CountPairAll.hh>
#include <core/scoring/etable/count_pair/CountPairGeneric.hh>
#include <core/scoring/hbonds/types.hh>
#include <core/scoring/hbonds/HBEvalTuple.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <core/scoring/hbonds/HBondDatabase.hh>
#include <core/scoring/hbonds/hbonds_geom.hh>
#include <core/scoring/hbonds/constants.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/MinimizationData.hh>
#include <core/scoring/ResidueNeighborList.hh>
#include <core/scoring/TenANeighborGraph.hh>
#include <core/chemical/rna/util.hh>
#include <core/chemical/types.hh>
#include <core/chemical/AtomType.hh>
#include <core/conformation/Residue.hh>
#include <core/id/AtomID.hh>
#include <core/id/types.hh>
#include <ObjexxFCL/format.hh>
#include <numeric/xyz.io.hh>
#include <core/pose/Pose.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <ObjexxFCL/FArray3D.hh>
#include <core/scoring/EnergyGraph.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>

Namespaces
	core
	A class for reading in the atom type properties.
	core::scoring
	core::scoring::geometric_solvation

Functions
static THREAD_LOCAL basic::Tracer	TR ("core.scoring.geometric_solvation.GeometricSolEnergyEvaluator")
void	core::scoring::geometric_solvation::fill_atom_derivs_for_donor (hbonds::HBondDerivs const &deriv, core::conformation::Residue const &don_rsd, Size const don_hatm, Size const occatm, utility::vector1< DerivVectorPair > &don_atom_derivs, utility::vector1< DerivVectorPair > &occ_atom_derivs, hbonds::HBEvalTuple const &, hbonds::HBondOptions const &, Real const &weighted_energy)
void	core::scoring::geometric_solvation::fill_atom_derivs_for_acceptor (hbonds::HBondDerivs const &deriv, core::conformation::Residue const &acc_rsd, Size const aatm, Size const occatm, utility::vector1< DerivVectorPair > &acc_atom_derivs, utility::vector1< DerivVectorPair > &occ_atom_derivs, hbonds::HBEvalTuple const &hbe_type, hbonds::HBondOptions const &hbond_options, Real const &weighted_energy)

Detailed Description

Author

Rhiju Das, rhiju.nosp@m.@sta.nosp@m.nford.nosp@m..edu

Function Documentation

static THREAD_LOCAL basic::Tracer TR ( "core.scoring.geometric_solvation.GeometricSolEnergyEvaluator"  )

static