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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_ElecEnergyAroAll
 
class  FA_ElecEnergyAroAllCreator
 
class  FA_ElecEnergyAroAro
 
class  FA_ElecEnergyAroAroCreator
 
class  FA_ElecEnergyCreator
 
class  FA_GrpElecEnergy
 
class  FA_GrpElecEnergyCreator
 
class  FAElecContextData
 
class  GroupElec
 
class  RNA_FA_ElecEnergy
 
class  RNA_FA_ElecEnergyCreator
 
struct  weight_triple
 

Typedefs

typedef
utility::pointer::shared_ptr
< FA_GrpElecEnergy
FA_GrpElecEnergyOP
 
typedef
utility::pointer::shared_ptr
< FA_GrpElecEnergy const > 
FA_GrpElecEnergyCOP
 
typedef
utility::pointer::shared_ptr
< FAElecContextData
FAElecContextDataOP
 
typedef
utility::pointer::shared_ptr
< FAElecContextData const > 
FAElecContextDataCOP
 
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

bool atom_is_aro2 (conformation::Residue const &rsd, Size const i)
 
bool atom_is_aro (conformation::Residue const &rsd, Size const i)
 
bool is_phosphate_2 (conformation::Residue const &rsd, Size const i)
 
bool is_sugar_2 (conformation::Residue const &rsd, Size const i)
 
bool is_base_2 (conformation::Residue const &rsd, Size const i)
 
RNAAtomType assign_rna_atom_type (conformation::Residue const &rsd, Size const i)
 
Real rna_elec_weight (EnergyMap const &weights, bool const b1, bool const s1, bool const p1, bool const b2, bool const s2, bool const p2)
 
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::pointer::shared_ptr< FA_GrpElecEnergy const > core::scoring::elec::FA_GrpElecEnergyCOP
typedef utility::pointer::shared_ptr< FA_GrpElecEnergy > core::scoring::elec::FA_GrpElecEnergyOP
typedef utility::pointer::shared_ptr< FAElecContextData const > core::scoring::elec::FAElecContextDataCOP
typedef utility::pointer::shared_ptr< FAElecContextData > core::scoring::elec::FAElecContextDataOP
typedef utility::vector1< ElecGroup > core::scoring::elec::ResElecGroup

Function Documentation

RNAAtomType core::scoring::elec::assign_rna_atom_type ( conformation::Residue const &  rsd,
Size const  i 
)
bool core::scoring::elec::atom_is_aro ( conformation::Residue const &  rsd,
Size const  i 
)
bool core::scoring::elec::atom_is_aro2 ( conformation::Residue const &  rsd,
Size const  i 
)
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 
)
bool core::scoring::elec::is_base_2 ( conformation::Residue const &  rsd,
Size const  i 
)
bool core::scoring::elec::is_phosphate_2 ( conformation::Residue const &  rsd,
Size const  i 
)
bool core::scoring::elec::is_sugar_2 ( conformation::Residue const &  rsd,
Size const  i 
)
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().

Real core::scoring::elec::rna_elec_weight ( EnergyMap const &  weights,
bool const  b1,
bool const  s1,
bool const  p1,
bool const  b2,
bool const  s2,
bool const  p2 
)