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protocols::ligand_docking::rdf::RDFBase Class Referenceabstract

#include <RDFBase.hh>

Inheritance diagram for protocols::ligand_docking::rdf::RDFBase:
Inheritance graph
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Public Types

enum  FunctionSign { LigandPlusProteinMinus, LigandMinusProteinPlus, SameSign }
 an enum of the possible states that a signed RDF can have More...
 

Public Member Functions

 RDFBase (std::string const &name)
 
 ~RDFBase () override
 
virtual RDFResultList operator() (AtomPairData const &)=0
 given an AtomPairData object, return a map More...
 
virtual void parse_my_tag (utility::tag::TagCOP, basic::datacache::DataMap &)=0
 parse tags More...
 
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

std::string name_
 
utility::vector1< std::string > function_names_
 

Member Enumeration Documentation

an enum of the possible states that a signed RDF can have

Enumerator
LigandPlusProteinMinus 
LigandMinusProteinPlus 
SameSign 

Constructor & Destructor Documentation

protocols::ligand_docking::rdf::RDFBase::RDFBase ( std::string const &  name)
inline
protocols::ligand_docking::rdf::RDFBase::~RDFBase ( )
inlineoverride

Member Function Documentation

void protocols::ligand_docking::rdf::RDFBase::add_function_name ( std::string const &  name)
inline
utility::vector1<std::string> protocols::ligand_docking::rdf::RDFBase::get_function_names ( )
inline

get a list of all the function names which will be present in RDFResultList after operator() is called

References function_names_.

virtual RDFResultList protocols::ligand_docking::rdf::RDFBase::operator() ( AtomPairData const &  )
pure virtual
virtual void protocols::ligand_docking::rdf::RDFBase::parse_my_tag ( utility::tag::TagCOP  ,
basic::datacache::DataMap &   
)
pure virtual
virtual void protocols::ligand_docking::rdf::RDFBase::preamble ( core::pose::Pose )
inlinevirtual

If you have code that needs to be run once per pose (for data caching, etc), put it here.

Reimplemented in protocols::ligand_docking::rdf::RDFBinaryOrbitalFunction, protocols::ligand_docking::rdf::RDFOrbitalFunction, and protocols::ligand_docking::rdf::RDFHbondFunction.

Member Data Documentation

utility::vector1<std::string> protocols::ligand_docking::rdf::RDFBase::function_names_
private
std::string protocols::ligand_docking::rdf::RDFBase::name_
private

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