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 46 of file Property.h.

Constructor & Destructor Documentation

◆ PropertyFunctor()

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

Definition at line 53 of file Property.h.

◆ ~PropertyFunctor()

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

Definition at line 57 of file Property.h.

Member Function Documentation

◆ getName()

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

Return the name of the property.

Definition at line 63 of file Property.h.

◆ getVersion()

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

Return the properties version.

Definition at line 65 of file Property.h.

◆ operator()()

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

Compute the value of the property.

Member Data Documentation

◆ d_dataFunc

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

Definition at line 51 of file Property.h.

◆ propName

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

Definition at line 49 of file Property.h.

◆ propVersion

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

Definition at line 50 of file Property.h.


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