Package org.openscience.cdk.graph
Class MoleculeGraphs
java.lang.Object
org.openscience.cdk.graph.MoleculeGraphs
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 TypeMethodDescriptionstatic org._3pq.jgrapht.graph.SimpleGraph
getMoleculeGraph
(IAtomContainer molecule) Deprecated.Creates a molecule graph for use with jgrapht.
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Method Details
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getMoleculeGraph
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
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