NPDHBondSet.cc File Reference

#include <core/scoring/hbonds/NPDHBondSet.hh>
#include <core/scoring/hbonds/types.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <core/scoring/hbonds/hbonds_geom.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/TenANeighborGraph.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/conformation/Residue.hh>
#include <core/id/AtomID.hh>
#include <core/pose/PDBInfo.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <utility/pointer/owning_ptr.hh>
#include <utility/VirtualBase.hh>
#include <numeric/xyzVector.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/conversions.hh>
#include <ObjexxFCL/format.hh>
#include <map>

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

Functions
static basic::Tracer	TR ("core.scoring.hbonds.NPDHBondSet")
std::ostream &	core::scoring::hbonds::operator<< (std::ostream &out, const NPDHBondSet &hbond_set)
bool	core::scoring::hbonds::operator== (NPDHBondSet const &a, NPDHBondSet const &b)
void	core::scoring::hbonds::weights_for_hbonds (conformation::Residue const &res, Size atom, utility::vector1< Real > const &energies, utility::vector1< Real > &weights)
	depending on the hybridization type of the atom, compute the weights for its hydrogen bonds. No derivative evaluation. More...
void	core::scoring::hbonds::weights_and_derivs_for_hbonds (conformation::Residue const &res, Size atom, utility::vector1< Real > const &energies, utility::vector1< Real > &weights, utility::vector1< utility::vector1< Real > > &dwt_dE)
	depending on the hybridization type of the atom, compute the weights for its hydrogen bonds. No derivative evaluation. More...
void	core::scoring::hbonds::get_weights_for_one_partner_hbonder (utility::vector1< Real > const &energies, utility::vector1< Real > &weights, utility::vector1< utility::vector1< Real > > &dwt_dE)
Real	core::scoring::hbonds::get_weights_for_one_partner_hbonder (utility::vector1< Real > const &energies, utility::vector1< Real > &weights)
	Helper function used by the weights_for_hbonds function above. More...
void	core::scoring::hbonds::get_weights_for_two_partner_hbonder (utility::vector1< Real > const &energies, utility::vector1< Real > &weights, utility::vector1< utility::vector1< Real > > &dwt_dE)
void	core::scoring::hbonds::get_weights_for_two_partner_hbonder (utility::vector1< Real > const &energies, utility::vector1< Real > &weights)
	Helper function used by the weights_for_hbonds function above. More...

Function Documentation

static basic::Tracer TR ( "core.scoring.hbonds.NPDHBondSet"  )

static