get.atom.index

atom

The `IAtomContainer` object containing the atom

Get the index of an atom in a molecule.
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.

Allows the user to access functionality in the
'CDK', a Java framework for chemoinformatics. This allows the user to load
molecules, evaluate fingerprints, calculate molecular descriptors and so on.
In addition, the 'CDK' API allows the user to view structures in 2D.

Zachary CharlopPowers

rcdk

Interface to the 'CDK' Libraries

Rajarshi Guha

Zachary Charlop-Powers

Emma Schymanski

get.atom.index function

Get the index of an atom in a molecule.

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. — get.atom.index

Get the index of an atom in a molecule.

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.

Get the index of an atom in a molecule.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.

get.atom.index: Get the index of an atom in a molecule.
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.

Description

Usage

Arguments

Value

See Also