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LK_BallEnergy.cc File Reference
#include <core/scoring/methods/ContextDependentLRTwoBodyEnergy.hh>
#include <core/scoring/lkball/LK_BallEnergy.hh>
#include <core/scoring/lkball/LK_BallEnergyCreator.hh>
#include <core/scoring/lkball/LK_BallInfo.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/ScoringManager.hh>
#include <core/scoring/NeighborList.hh>
#include <core/scoring/ResidueNeighborList.hh>
#include <core/scoring/MinimizationData.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergiesCacheableDataType.hh>
#include <core/scoring/DerivVectorPair.hh>
#include <core/scoring/etable/Etable.hh>
#include <core/scoring/etable/count_pair/CountPairFunction.hh>
#include <core/scoring/etable/count_pair/CountPairFactory.hh>
#include <core/scoring/etable/count_pair/types.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/residue_datacache.hh>
#include <core/conformation/RotamerSetBase.hh>
#include <core/conformation/RotamerSetCacheableDataType.hh>
#include <core/chemical/AtomType.hh>
#include <core/pose/datacache/CacheableDataType.hh>
#include <core/scoring/ScoreFunction.hh>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/scoring/constraints/AngleConstraint.hh>
#include <basic/options/util.hh>
#include <basic/options/keys/dna.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/prof.hh>
#include <basic/datacache/BasicDataCache.hh>
#include <basic/Tracer.hh>
#include <numeric/constants.hh>
#include <numeric/xyz.functions.hh>
#include <utility/vector1.functions.hh>
#include <core/scoring/trie/CPDataCorrespondence.hh>
#include <core/scoring/trie/RotamerDescriptor.hh>
#include <core/scoring/trie/RotamerTrie.hh>
#include <core/scoring/trie/TrieCollection.hh>
#include <core/scoring/trie/trie.functions.hh>
#include <core/scoring/etable/etrie/CountPairData_1_1.hh>
#include <core/scoring/etable/etrie/CountPairData_1_2.hh>
#include <core/scoring/etable/etrie/CountPairData_1_3.hh>
#include <core/scoring/etable/etrie/CountPairDataGeneric.hh>
#include <core/scoring/etable/etrie/TrieCountPair1BC4.hh>
#include <core/scoring/etable/etrie/TrieCountPair1BC3.hh>
#include <core/scoring/etable/etrie/TrieCountPairAll.hh>
#include <core/scoring/etable/etrie/TrieCountPairNone.hh>
#include <core/scoring/etable/etrie/TrieCountPairGeneric.hh>

Classes

class  core::scoring::lkball::LK_BallInvoker
 
class  core::scoring::lkball::LK_Ball_RPE_Invoker
 
class  core::scoring::lkball::LK_Ball_BB_BB_E_Invoker
 
class  core::scoring::lkball::LK_Ball_BB_SC_E_Invoker
 
class  core::scoring::lkball::LK_Ball_SC_SC_E_Invoker
 
class  core::scoring::lkball::LKB_ResPairMinData
 

Namespaces

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

Typedefs

using core::scoring::lkball::LKB_ResPairMinDataOP = utility::pointer::shared_ptr< LKB_ResPairMinData >
 
using core::scoring::lkball::LKB_ResPairMinDataCOP = utility::pointer::shared_ptr< const LKB_ResPairMinData >
 

Functions

static basic::Tracer core::scoring::lkball::TR ("core.scoring.methods.LK_BallEnergy")
 
void core::scoring::lkball::evaluate_lk_ball_energy_for_atom_ranges (LK_BallEnergy const &lk_ball, conformation::Residue const &rsd1, LKB_ResidueInfo const &rsd1_info, conformation::Residue const &rsd2, LKB_ResidueInfo const &rsd2_info, ScoreFunction const &sfxn, etable::count_pair::CountPairFunction const &cpfxn, Size const res1_start_atom, Size const res1_end_atom, Size const res2_start_atom, Size const res2_end_atom, EnergyMap &emap)
 
LKB_RotamerSetInfo const & core::scoring::lkball::retrieve_lkb_rotamer_set_info (conformation::RotamerSetBase const &set)
 inline retrieval functions here: More...
 
void core::scoring::lkball::update_cached_lkb_resinfo (conformation::Residue const &rsd, basic::datacache::BasicDataCache &residue_data_cache, bool compute_derivs)
 
LKB_ResidueInfo const & core::scoring::lkball::retrieve_lkb_resdata (conformation::Residue const &res)
 
template<class CPDAT >
void core::scoring::lkball::create_rotamer_descriptor (conformation::Residue const &res, LKB_ResidueInfo const &lkb_resinfo, trie::CPDataCorrespondence const &cpdata_map, trie::RotamerDescriptor< lkbtrie::LKBAtom, CPDAT > &rotamer_descriptor)