public interface ICanonicalMoleculeLabeller
Modifier and Type | Method and Description |
---|---|
org.openscience.cdk.interfaces.IAtomContainer |
getCanonicalMolecule(org.openscience.cdk.interfaces.IAtomContainer container) |
int[] |
getCanonicalPermutation(org.openscience.cdk.interfaces.IAtomContainer container) |
org.openscience.cdk.interfaces.IAtomContainer getCanonicalMolecule(org.openscience.cdk.interfaces.IAtomContainer container)
container
- int[] getCanonicalPermutation(org.openscience.cdk.interfaces.IAtomContainer container)
container
-