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

#include <new_canon.h>

Public Member Functions

 ChiralAtomCompareFunctor ()
 ChiralAtomCompareFunctor (Canon::canon_atom *atoms, const ROMol &m)
int operator() (int i, int j) const

Public Attributes

const ROMoldp_mol
bool df_useNbrs

Detailed Description

Definition at line 442 of file new_canon.h.

Constructor & Destructor Documentation

RDKit::Canon::ChiralAtomCompareFunctor::ChiralAtomCompareFunctor ( )

Definition at line 511 of file new_canon.h.

RDKit::Canon::ChiralAtomCompareFunctor::ChiralAtomCompareFunctor ( Canon::canon_atom atoms,
const ROMol m 

Definition at line 513 of file new_canon.h.

Member Function Documentation

int RDKit::Canon::ChiralAtomCompareFunctor::operator() ( int  i,
int  j 
) const

Member Data Documentation

bool RDKit::Canon::ChiralAtomCompareFunctor::df_useNbrs

Definition at line 510 of file new_canon.h.

Canon::canon_atom* RDKit::Canon::ChiralAtomCompareFunctor::dp_atoms

Definition at line 508 of file new_canon.h.

const ROMol* RDKit::Canon::ChiralAtomCompareFunctor::dp_mol

Definition at line 509 of file new_canon.h.

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