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

#include <new_canon.h>

Public Member Functions

 SpecialSymmetryAtomCompareFunctor ()
 
 SpecialSymmetryAtomCompareFunctor (Canon::canon_atom *atoms, const ROMol &m, const boost::dynamic_bitset<> *atomsInPlay=NULL, const boost::dynamic_bitset<> *bondsInPlay=NULL)
 
int operator() (int i, int j) const
 

Public Attributes

Canon::canon_atomdp_atoms
 
const ROMoldp_mol
 
const boost::dynamic_bitset * dp_atomsInPlay
 
const boost::dynamic_bitset * dp_bondsInPlay
 

Detailed Description

Definition at line 173 of file new_canon.h.

Constructor & Destructor Documentation

RDKit::Canon::SpecialSymmetryAtomCompareFunctor::SpecialSymmetryAtomCompareFunctor ( )
inline

Definition at line 179 of file new_canon.h.

RDKit::Canon::SpecialSymmetryAtomCompareFunctor::SpecialSymmetryAtomCompareFunctor ( Canon::canon_atom atoms,
const ROMol m,
const boost::dynamic_bitset<> *  atomsInPlay = NULL,
const boost::dynamic_bitset<> *  bondsInPlay = NULL 
)
inline

Definition at line 184 of file new_canon.h.

Member Function Documentation

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

Member Data Documentation

Canon::canon_atom* RDKit::Canon::SpecialSymmetryAtomCompareFunctor::dp_atoms

Definition at line 175 of file new_canon.h.

const boost::dynamic_bitset* RDKit::Canon::SpecialSymmetryAtomCompareFunctor::dp_atomsInPlay

Definition at line 177 of file new_canon.h.

const boost::dynamic_bitset * RDKit::Canon::SpecialSymmetryAtomCompareFunctor::dp_bondsInPlay

Definition at line 177 of file new_canon.h.

const ROMol* RDKit::Canon::SpecialSymmetryAtomCompareFunctor::dp_mol

Definition at line 176 of file new_canon.h.


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