RDKit
Open-source cheminformatics and machine learning.
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Public Member Functions | Public Attributes | List of all members
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 570 of file new_canon.h.

Constructor & Destructor Documentation

◆ ChiralAtomCompareFunctor() [1/2]

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

Definition at line 643 of file new_canon.h.

◆ ChiralAtomCompareFunctor() [2/2]

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

Definition at line 644 of file new_canon.h.

References df_useNbrs, dp_atoms, and dp_mol.

Member Function Documentation

◆ operator()()

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

Definition at line 646 of file new_canon.h.

References RDKit::Canon::ATNUM_CLASS_OFFSET, RDKit::Canon::bondholder::compare(), df_useNbrs, dp_atoms, dp_mol, and PRECONDITION.

Member Data Documentation

◆ df_useNbrs

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

Definition at line 642 of file new_canon.h.

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

◆ dp_atoms

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

Definition at line 640 of file new_canon.h.

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

◆ dp_mol

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

Definition at line 641 of file new_canon.h.

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

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