Package org.openscience.cdk.graph

Class MoleculeGraphs

java.lang.Object

org.openscience.cdk.graph.MoleculeGraphs

@Deprecated
public class MoleculeGraphs
extends Object

Deprecated.

Utility class to create a molecule graph for use with JGraphT.

Author:

Ulrich Bauer <ulrich.bauer@alumni.tum.de>

Source code:

main

Belongs to CDK module:

standard

Method Summary

Modifier and Type	Method	Description
static org._3pq.jgrapht.graph.SimpleGraph	getMoleculeGraph(IAtomContainer molecule)	Deprecated. Creates a molecule graph for use with jgrapht.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Method Details

getMoleculeGraph

public static org._3pq.jgrapht.graph.SimpleGraph getMoleculeGraph(IAtomContainer molecule)

Deprecated.

Creates a molecule graph for use with jgrapht. Bond orders are not respected.

Parameters:

molecule - the specified molecule

Returns:

a graph representing the molecule