Rosetta  2020.46
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Classes | Typedefs | Functions
protocols::ligand_docking::rdf Namespace Reference

Classes

struct  AtomPairData
 a simple struct for storing information needed to compute an RDF interaction More...
 
class  RDFBase
 
class  RDFBinaryHbondCreator
 Creator to geneate a new RDFBinaryHbondFunction. More...
 
class  RDFBinaryHbondFunction
 RDFBinaryHbondFunction returns 1.0 if a pair of atoms are donor and acceptor, 0.0 otherwise. More...
 
class  RDFBinaryOrbitalFunction
 RDFBinaryOrbitalFunction returns 1 for various orbital pairs and 0 otherwise. More...
 
class  RDFBinaryOrbitalFunctionCreator
 Creator to geneate a new RDFBinaryOrbitalFunction. More...
 
class  RDFChargeCreator
 Creator to geneate a new RDFChargeFunction. More...
 
class  RDFChargeFunction
 RDFChargeFunction computes fa_elec for a pair of atoms. More...
 
class  RDFElecCreator
 Creator to geneate a new RDFElecFunction. More...
 
class  RDFElecFunction
 RDFElecFunction computes fa_elec for a pair of atoms. More...
 
class  RDFEtableCreator
 Creator to geneate a new RDFEtableFunction. More...
 
class  RDFEtableFunction
 RDFEtableFunction computes fa_sol,fa_rep,fa_atr for a pair of atoms. More...
 
class  RDFFunctionCreator
 The Creator class is responsible for creating a particular RDF Function class. More...
 
class  RDFFunctionFactory
 Create RDFFunctions. More...
 
class  RDFFunctionRegistrator
 This templated class will register an instance of an RDFFunctionCreator (class T) with the RDFFunctionFactory. It will ensure that no FeaturesReporterCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place. More...
 
class  RDFHbondCreator
 Creator to geneate a new RDFHbondFunction. More...
 
class  RDFHbondFunction
 RDFHbondFunction computes h-bonding energy for a pair of atoms. More...
 
class  RDFOrbitalFunction
 RDFOrbitalFunction computes the orbital score energies of a pair of atoms. More...
 
class  RDFOrbitalFunctionCreator
 Creator to geneate a new RDFOrbitalFunction. More...
 

Typedefs

typedef
utility::pointer::shared_ptr
< RDFBase
RDFBaseOP
 
typedef utility::vector1
< std::pair< std::string,
core::Real > > 
RDFResultList
 a vector of pairs, each pair stores the name of a score produced by the RDF and the value. Used for RDF output More...
 
typedef
utility::pointer::shared_ptr
< RDFFunctionCreator
RDFFunctionCreatorOP
 
typedef
utility::pointer::shared_ptr
< RDFFunctionCreator const > 
RDFFunctionCreatorCOP
 

Functions

static basic::Tracer tr ("protocols.ligand_docking.rdf.RDFFunctionFactory")
 

Typedef Documentation

typedef utility::pointer::shared_ptr<RDFBase> protocols::ligand_docking::rdf::RDFBaseOP
typedef utility::pointer::shared_ptr< RDFFunctionCreator const > protocols::ligand_docking::rdf::RDFFunctionCreatorCOP
typedef utility::vector1<std::pair<std::string,core::Real> > protocols::ligand_docking::rdf::RDFResultList

a vector of pairs, each pair stores the name of a score produced by the RDF and the value. Used for RDF output

Function Documentation

static basic::Tracer protocols::ligand_docking::rdf::tr ( "protocols.ligand_docking.rdf.RDFFunctionFactory"  )
static