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::pointer::shared_ptr< RDFFunctionCreator > protocols::ligand_docking::rdf::RDFFunctionCreatorOP

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

Referenced by protocols::ligand_docking::rdf::RDFFunctionFactory::get_rdf_function().