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core::scoring::elec Namespace Reference

Namespaces

 electrie
 

Classes

class  CountPairRepMap
 A class to encapsulate the raw-pointer-based data caching. More...
 
class  CountPairRepresentative
 
struct  ElecGroup
 
class  FA_ElecEnergy
 
class  FA_ElecEnergyCreator
 
class  GroupElec
 
struct  weight_triple
 

Typedefs

typedef std::map< std::string,
std::map< std::string,
std::string > > 
CPRepMapType
 
typedef
utility::pointer::shared_ptr
< CPRepMapType
CPRepMapTypeOP
 
typedef
utility::pointer::shared_ptr
< CPRepMapType const > 
CPRepMapTypeCOP
 
typedef
utility::pointer::shared_ptr
< FA_ElecEnergy
FA_ElecEnergyOP
 
typedef
utility::pointer::shared_ptr
< FA_ElecEnergy const > 
FA_ElecEnergyCOP
 
typedef
utility::pointer::shared_ptr
< CountPairRepMap
CountPairRepMapOP
 
typedef
utility::pointer::shared_ptr
< CountPairRepMap const > 
CountPairRepMapCOP
 
typedef utility::vector1
< ElecGroup
ResElecGroup
 

Functions

template<class CPDAT >
void create_rotamer_descriptor (conformation::Residue const &res, trie::CPDataCorrespondence const &cpdata_map, CountPairRepMap const &cp_reps, trie::RotamerDescriptor< electrie::ElecAtom, CPDAT > &rotamer_descriptor)
 
CPRepMapTypeOP read_cp_tables_from_db (std::string const &filename)
 Read the CP tables from the database and return an owning pointer to the new object created in memory. More...
 

Typedef Documentation

typedef utility::pointer::shared_ptr< CountPairRepMap const > core::scoring::elec::CountPairRepMapCOP
typedef utility::pointer::shared_ptr< CountPairRepMap > core::scoring::elec::CountPairRepMapOP
typedef std::map< std::string, std::map<std::string,std::string> > core::scoring::elec::CPRepMapType
typedef utility::pointer::shared_ptr< CPRepMapType const > core::scoring::elec::CPRepMapTypeCOP
typedef utility::pointer::shared_ptr< CPRepMapType > core::scoring::elec::CPRepMapTypeOP
typedef utility::pointer::shared_ptr< FA_ElecEnergy const > core::scoring::elec::FA_ElecEnergyCOP
typedef utility::pointer::shared_ptr< FA_ElecEnergy > core::scoring::elec::FA_ElecEnergyOP
typedef utility::vector1< ElecGroup > core::scoring::elec::ResElecGroup

Function Documentation

template<class CPDAT >
void core::scoring::elec::create_rotamer_descriptor ( conformation::Residue const &  res,
trie::CPDataCorrespondence const &  cpdata_map,
CountPairRepMap const &  cp_reps,
trie::RotamerDescriptor< electrie::ElecAtom, CPDAT > &  rotamer_descriptor 
)
CPRepMapTypeOP core::scoring::elec::read_cp_tables_from_db ( std::string const &  filename)

Read the CP tables from the database and return an owning pointer to the new object created in memory.

Called by the ScoringManager to allow these data to be read in once and only once.

References core::scoring::TR().

Referenced by core::scoring::ScoringManager::get_cp_rep_map_byname().