RDFEtableFunction computes fa_sol,fa_rep,fa_atr for a pair of atoms. More...

#include <StandardRDFFunctions.hh>

Public Member Functions
	RDFEtableFunction ()

virtual	~RDFEtableFunction ()

virtual void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data_map)
	parse tags for RDFEtableFunction tag More...

virtual RDFResultList	operator() (AtomPairData const &atom_data)
	compute atr, rep and solvation energy for atom pair More...

Public Member Functions inherited from protocols::ligand_docking::rdf::RDFBase
	RDFBase (std::string const &name)

virtual	~RDFBase ()

virtual void	preamble (core::pose::Pose &)
	If you have code that needs to be run once per pose (for data caching, etc), put it here. More...

void	add_function_name (std::string const &name)
	add a function name to the list More...

utility::vector1< std::string >	get_function_names ()
	get a list of all the function names which will be present in RDFResultList after operator() is called More...

Private Attributes
core::scoring::etable::AnalyticEtableEvaluatorOP	etable_evaluator_

Additional Inherited Members
Public Types inherited from protocols::ligand_docking::rdf::RDFBase
enum	FunctionSign { LigandPlusProteinMinus, LigandMinusProteinPlus, SameSign }
	an enum of the possible states that a signed RDF can have More...