Rosetta
Namespaces | Functions
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/pose/Pose.hh>
#include <core/pose/init_id_map.hh>
#include <core/conformation/Residue.hh>
#include <core/id/AtomID.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <utility/pointer/owning_ptr.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

◆ TR()

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