@TestClass(value="org.openscience.cdk.geometry.volume.VABCVolumeTest") public class VABCVolume extends Object
Constructor and Description |
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VABCVolume() |
public static double calculate(IMolecule molecule) throws CDKException
IMolecule
. This methods assumes
that atom types have been perceived.molecule
- IMolecule
to calculate the volume of.CDKException