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

#include <new_canon.h>

Public Member Functions

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

Public Attributes

Canon::canon_atomdp_atoms {nullptr}
 
const ROMoldp_mol {nullptr}
 
const boost::dynamic_bitset * dp_atomsInPlay {nullptr}
 
const boost::dynamic_bitset * dp_bondsInPlay {nullptr}
 

Detailed Description

Definition at line 135 of file new_canon.h.

Constructor & Destructor Documentation

◆ SpecialChiralityAtomCompareFunctor() [1/2]

RDKit::Canon::SpecialChiralityAtomCompareFunctor::SpecialChiralityAtomCompareFunctor ( )
inline

Definition at line 142 of file new_canon.h.

◆ SpecialChiralityAtomCompareFunctor() [2/2]

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

Definition at line 143 of file new_canon.h.

Member Function Documentation

◆ operator()()

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

Member Data Documentation

◆ dp_atoms

Canon::canon_atom* RDKit::Canon::SpecialChiralityAtomCompareFunctor::dp_atoms {nullptr}

Definition at line 137 of file new_canon.h.

◆ dp_atomsInPlay

const boost::dynamic_bitset* RDKit::Canon::SpecialChiralityAtomCompareFunctor::dp_atomsInPlay {nullptr}

Definition at line 139 of file new_canon.h.

◆ dp_bondsInPlay

const boost::dynamic_bitset * RDKit::Canon::SpecialChiralityAtomCompareFunctor::dp_bondsInPlay {nullptr}

Definition at line 140 of file new_canon.h.

◆ dp_mol

const ROMol* RDKit::Canon::SpecialChiralityAtomCompareFunctor::dp_mol {nullptr}

Definition at line 138 of file new_canon.h.


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