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OrbitalsScore.cc File Reference
#include <core/pose/Pose.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/scoring/DerivVectorPair.hh>
#include <core/scoring/orbitals/OrbitalsLookup.hh>
#include <core/scoring/orbitals/OrbitalsScore.hh>
#include <core/scoring/orbitals/OrbitalsScoreCreator.hh>
#include <core/chemical/orbitals/OrbitalTypeMapper.fwd.hh>
#include <map>
#include <numeric/deriv/angle_deriv.hh>
#include <numeric/deriv/distance_deriv.hh>
#include <core/conformation/RotamerSetBase.hh>
#include <core/conformation/Conformation.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/ScoringManager.hh>
#include <core/chemical/AtomType.hh>
#include <core/chemical/orbitals/OrbitalType.hh>
#include <core/scoring/ContextGraphTypes.hh>
#include <core/scoring/EnergyMap.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <numeric/xyzVector.hh>
#include <numeric/conversions.hh>
#include <core/id/types.hh>
#include <core/id/AtomID.hh>
#include <core/kinematics/Jump.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/option.hh>

Namespaces

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

Functions

static basic::Tracer core::scoring::orbitals::TR ("core.scoring.orbitals_hpol")
 
ScoreType core::scoring::orbitals::score_type_for_orb_params (OrbitalsLookup const &lookup_table, bool hydrogen_interaction, bool backbone, core::Size orbtype1, OrbitalsLookup::h_type htype, core::Size orbtype2)
 
core::chemical::orbitals::orbital_type_enum core::scoring::orbitals::lookup_type_for_orbital_type (core::chemical::orbitals::orbital_type_enum orbital_type)
 
core::Size core::scoring::orbitals::surrogate_atom_for_orbital (core::conformation::Residue const &res, core::Size acceptor_index, core::chemical::orbitals::orbital_type_enum orbital_type)