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_atom *	dp_atoms {nullptr}
const ROMol *	dp_mol {nullptr}
const boost::dynamic_bitset *	dp_atomsInPlay {nullptr}
const boost::dynamic_bitset *	dp_bondsInPlay {nullptr}

Detailed Description

Definition at line 134 of file new_canon.h.

Constructor & Destructor Documentation

SpecialChiralityAtomCompareFunctor() [1/2]

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

inline

Definition at line 141 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 142 of file new_canon.h.

References dp_atoms, dp_atomsInPlay, dp_bondsInPlay, and dp_mol.

Member Function Documentation

operator()()

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

inline

Definition at line 150 of file new_canon.h.

References RDKit::Canon::bondholder::compare(), dp_atoms, dp_atomsInPlay, dp_mol, PRECONDITION, RDKit::Canon::updateAtomNeighborIndex(), and RDKit::Canon::updateAtomNeighborNumSwaps().

Member Data Documentation

dp_atoms

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

Definition at line 136 of file new_canon.h.

Referenced by operator()(), and SpecialChiralityAtomCompareFunctor().

dp_atomsInPlay

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

Definition at line 138 of file new_canon.h.

Referenced by operator()(), and SpecialChiralityAtomCompareFunctor().

dp_bondsInPlay

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

Definition at line 139 of file new_canon.h.

Referenced by SpecialChiralityAtomCompareFunctor().

dp_mol

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

Definition at line 137 of file new_canon.h.

Referenced by operator()(), and SpecialChiralityAtomCompareFunctor().

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

• new_canon.h