RDFBase.hh File Reference

A base class that defines an RDF function. These functions computes one or more RDF values for a pair of atoms. More...

#include <utility/pointer/ReferenceCount.hh>
#include <protocols/ligand_docking/rdf/RDFBase.fwd.hh>
#include <core/types.hh>
#include <core/id/AtomID.hh>
#include <core/conformation/Atom.hh>
#include <core/chemical/AtomType.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/tag/Tag.fwd.hh>
#include <utility/vector1.hh>
#include <basic/datacache/DataMap.fwd.hh>
#include <string>
#include <map>

Classes
struct	protocols::ligand_docking::rdf::AtomPairData
	a simple struct for storing information needed to compute an RDF interaction More...
class	protocols::ligand_docking::rdf::RDFBase

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::ligand_docking
	protocols::ligand_docking::rdf

Typedefs
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 More...

Detailed Description

A base class that defines an RDF function. These functions computes one or more RDF values for a pair of atoms.

Author

Sam DeLuca