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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/VirtualBase.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