Package org.openscience.cdk.graph
Class MoleculeGraphs
- java.lang.Object
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- org.openscience.cdk.graph.MoleculeGraphs
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@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
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Method Summary
All Methods Static Methods Concrete Methods Deprecated Methods Modifier and Type Method Description static org._3pq.jgrapht.graph.SimpleGraph
getMoleculeGraph(IAtomContainer molecule)
Deprecated.Creates a molecule graph for use with jgrapht.
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Method Detail
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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
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