RDKit: RDKit::Canon::ChiralAtomCompareFunctor Class Reference

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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:

- new_canon.h