Rosetta  2020.37
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Classes | Typedefs | Functions
core::scoring::orbitals Namespace Reference

Classes

class  OrbitalsLookup
 
class  OrbitalsScore
 
class  OrbitalsScoreCreator
 
class  OrbitalsStatistics
 

Typedefs

typedef
utility::pointer::shared_ptr
< OrbitalsLookup
OrbitalsLookupOP
 
typedef
utility::pointer::shared_ptr
< OrbitalsLookup const > 
OrbitalsLookupCOP
 
typedef
utility::pointer::shared_ptr
< OrbitalsScore
OrbitalsScoreOP
 

Functions

static basic::Tracer TR ("core.scoring.orbitals_hpol")
 
ScoreType 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 lookup_type_for_orbital_type (core::chemical::orbitals::orbital_type_enum orbital_type)
 
core::Size surrogate_atom_for_orbital (core::conformation::Residue const &res, core::Size acceptor_index, core::chemical::orbitals::orbital_type_enum orbital_type)
 

Typedef Documentation

typedef utility::pointer::shared_ptr< OrbitalsLookup const > core::scoring::orbitals::OrbitalsLookupCOP
typedef utility::pointer::shared_ptr< OrbitalsLookup > core::scoring::orbitals::OrbitalsLookupOP
typedef utility::pointer::shared_ptr< OrbitalsScore > core::scoring::orbitals::OrbitalsScoreOP

Function Documentation

core::chemical::orbitals::orbital_type_enum core::scoring::orbitals::lookup_type_for_orbital_type ( core::chemical::orbitals::orbital_type_enum  orbital_type)
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::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 
)
static basic::Tracer core::scoring::orbitals::TR ( "core.scoring.orbitals_hpol"  )
static