get.atom.index {rcdk}

get.atom.index

Description

Get the index of an atom in a molecule.

Usage

get.atom.index(atom, mol)

Arguments

atom

The atom object

mol

The 'IAtomContainer' object containing the atom

Details

Acces the index of an atom in the context of an IAtomContainer. Indexing starts from 0. If the index is not known, -1 is returned.

Value

An integer representing the atom index.

Author(s)

Rajarshi Guha ([e-mail])

See Also

get.connected.atom