Open-source cheminformatics and machine learning.
RDKit::FragFPGenerator Class Reference

#include <FragFPGenerator.h>

Public Member Functions

 FragFPGenerator ()
ExplicitBitVectgetFPForMol (const ROMol &mol, const FragCatalog &fcat)

Detailed Description

Definition at line 25 of file FragFPGenerator.h.

Constructor & Destructor Documentation

RDKit::FragFPGenerator::FragFPGenerator ( )

Definition at line 27 of file FragFPGenerator.h.

References getFPForMol().

Member Function Documentation

ExplicitBitVect* RDKit::FragFPGenerator::getFPForMol ( const ROMol mol,
const FragCatalog fcat 

Referenced by FragFPGenerator().

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