non_scorefxn_exact_model.cc File Reference

#include <core/energy_methods/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 reading in the atom type properties.
	core::energy_methods

Functions
static basic::Tracer	TR ("core.energy_methods.non_scorefxn_exact_model")
void	core::energy_methods::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::energy_methods::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::energy_methods::LK_MATCHING_WEIGHT_OLD_EXACT = { 0.23968 }

Function Documentation

static basic::Tracer TR ( "core.energy_methods.non_scorefxn_exact_model"  )

static

Author

jk