RDKit
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

Canon::canon_atomdp_atoms
 
const ROMoldp_mol
 
bool df_useNbrs
 

Detailed Description

Definition at line 438 of file new_canon.h.

Constructor & Destructor Documentation

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

Definition at line 507 of file new_canon.h.

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

Definition at line 509 of file new_canon.h.

Member Function Documentation

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

Member Data Documentation

bool RDKit::Canon::ChiralAtomCompareFunctor::df_useNbrs

Definition at line 506 of file new_canon.h.

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

Definition at line 504 of file new_canon.h.

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

Definition at line 505 of file new_canon.h.


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