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_atom *	dp_atoms {nullptr}
const ROMol *	dp_mol {nullptr}
bool	df_useNbrs {false}

Detailed Description

Definition at line 531 of file new_canon.h.

Constructor & Destructor Documentation

ChiralAtomCompareFunctor() [1/2]

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

inline

Definition at line 604 of file new_canon.h.

ChiralAtomCompareFunctor() [2/2]

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

inline

Definition at line 605 of file new_canon.h.

Member Function Documentation

operator()()

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

inline

Definition at line 607 of file new_canon.h.

References RDKit::Canon::ATNUM_CLASS_OFFSET, and PRECONDITION.

Member Data Documentation

df_useNbrs

bool RDKit::Canon::ChiralAtomCompareFunctor::df_useNbrs {false}

Definition at line 603 of file new_canon.h.

dp_atoms

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

Definition at line 601 of file new_canon.h.

dp_mol

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

Definition at line 602 of file new_canon.h.

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

• new_canon.h