RDKit
Open-source cheminformatics and machine learning.
Data3Ddescriptors Class Reference

#include <Data3Ddescriptors.h>

Public Member Functions

 Data3Ddescriptors ()
 
double * getMW ()
 
double * getVDW ()
 
double * getNEG ()
 
double * getPOL ()
 
double * getIonPOL ()
 
double * getRCOV ()
 

Detailed Description

Definition at line 36 of file Data3Ddescriptors.h.

Constructor & Destructor Documentation

Data3Ddescriptors::Data3Ddescriptors ( )

Member Function Documentation

double* Data3Ddescriptors::getIonPOL ( )
double* Data3Ddescriptors::getMW ( )
double* Data3Ddescriptors::getNEG ( )
double* Data3Ddescriptors::getPOL ( )
double* Data3Ddescriptors::getRCOV ( )
double* Data3Ddescriptors::getVDW ( )

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