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Open-source cheminformatics and machine learning.
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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 37 of file Data3Ddescriptors.h.

Constructor & Destructor Documentation

◆ Data3Ddescriptors()

Data3Ddescriptors::Data3Ddescriptors ( )

Member Function Documentation

◆ getIonPOL()

double * Data3Ddescriptors::getIonPOL ( )

◆ getMW()

double * Data3Ddescriptors::getMW ( )

◆ getNEG()

double * Data3Ddescriptors::getNEG ( )

◆ getPOL()

double * Data3Ddescriptors::getPOL ( )

◆ getRCOV()

double * Data3Ddescriptors::getRCOV ( )

◆ getVDW()

double * Data3Ddescriptors::getVDW ( )

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