Rosetta Protocols  2014.35
Public Member Functions | Private Attributes | List of all members
protocols::ligand_docking::rdf::RDFEtableFunction Class Reference

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::stringget_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...
 

Detailed Description

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

Constructor & Destructor Documentation

protocols::ligand_docking::rdf::RDFEtableFunction::RDFEtableFunction ( )
protocols::ligand_docking::rdf::RDFEtableFunction::~RDFEtableFunction ( )
virtual

Member Function Documentation

RDFResultList protocols::ligand_docking::rdf::RDFEtableFunction::operator() ( AtomPairData const &  atom_data)
virtual
void protocols::ligand_docking::rdf::RDFEtableFunction::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap data_map 
)
virtual

Member Data Documentation

core::scoring::etable::AnalyticEtableEvaluatorOP protocols::ligand_docking::rdf::RDFEtableFunction::etable_evaluator_
private

Referenced by operator()(), and parse_my_tag().


The documentation for this class was generated from the following files: