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

#include <Property.h>

Public Member Functions

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

Public Attributes

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

Detailed Description

Definition at line 47 of file Property.h.

Constructor & Destructor Documentation

◆ PropertyFunctor()

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

Definition at line 54 of file Property.h.

◆ ~PropertyFunctor()

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

Definition at line 59 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 67 of file Property.h.

◆ getVersion()

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

Return the properties version.

Definition at line 69 of file Property.h.

◆ operator()()

virtual double RDKit::Descriptors::PropertyFunctor::operator() ( const RDKit::ROMol mol) const
inlinevirtual

Compute the value of the property.

Definition at line 62 of file Property.h.

Member Data Documentation

◆ d_dataFunc

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

Definition at line 52 of file Property.h.

◆ propName

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

Definition at line 50 of file Property.h.

◆ propVersion

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

Definition at line 51 of file Property.h.


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