@TestClass(value="org.openscience.cdk.graph.MoleculeGraphsTest") public class MoleculeGraphs extends Object
Modifier and Type | Method and Description |
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static org._3pq.jgrapht.graph.SimpleGraph |
getMoleculeGraph(IAtomContainer molecule)
Creates a molecule graph for use with jgrapht.
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@TestMethod(value="testGetMoleculeGraph_IAtomContainer") public static org._3pq.jgrapht.graph.SimpleGraph getMoleculeGraph(IAtomContainer molecule)
molecule
- the specified molecule