public class CanonicalNumberingGenerator
extends java.lang.Object
Constructor and Description |
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CanonicalNumberingGenerator(org.openscience.cdk.interfaces.IAtomContainer atomContainer)
Canonical labeling for the given atom container
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Modifier and Type | Method and Description |
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int[] |
getCanonicalPermutation() |
int[] |
getOrbitalCanonicalLabelling() |