RDKit
Open-source cheminformatics and machine learning.
RDKit::Descriptors::PropertyFunctor Struct Referenceabstract

#include <Property.h>

Public Member Functions

 PropertyFunctor (const std::string &name, const std::string &version, double(*func)(const ROMol &)=NULL)
 
virtual ~PropertyFunctor ()
 
virtual double operator() (const RDKit::ROMol &) const =0
 Compute the value of the property. More...
 
const std::string getName () const
 Return the name of the property. More...
 
const std::string getVersion () const
 Return the properties version. More...
 

Public Attributes

std::string propName
 
std::string propVersion
 
double(* d_dataFunc )(const ROMol &)
 

Detailed Description

Definition at line 45 of file Property.h.

Constructor & Destructor Documentation

RDKit::Descriptors::PropertyFunctor::PropertyFunctor ( const std::string &  name,
const std::string &  version,
double(*)(const ROMol &)  func = NULL 
)
inline

Definition at line 52 of file Property.h.

virtual RDKit::Descriptors::PropertyFunctor::~PropertyFunctor ( )
inlinevirtual

Definition at line 56 of file Property.h.

References operator()().

Member Function Documentation

const std::string RDKit::Descriptors::PropertyFunctor::getName ( ) const
inline

Return the name of the property.

Definition at line 62 of file Property.h.

References propName.

const std::string RDKit::Descriptors::PropertyFunctor::getVersion ( ) const
inline

Return the properties version.

Definition at line 64 of file Property.h.

References propVersion.

virtual double RDKit::Descriptors::PropertyFunctor::operator() ( const RDKit::ROMol ) const
pure virtual

Compute the value of the property.

Referenced by ~PropertyFunctor().

Member Data Documentation

double(* RDKit::Descriptors::PropertyFunctor::d_dataFunc) (const ROMol &)

Definition at line 50 of file Property.h.

Referenced by RDKit::Descriptors::makePropertyQuery().

std::string RDKit::Descriptors::PropertyFunctor::propName

Definition at line 48 of file Property.h.

Referenced by getName().

std::string RDKit::Descriptors::PropertyFunctor::propVersion

Definition at line 49 of file Property.h.

Referenced by getVersion().


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