public class MoleculeCanonicalizationTransformation extends java.lang.Object implements ITransformation<org.openscience.cdk.interfaces.IAtomContainer>
ITransformation.TargetType
Constructor and Description |
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MoleculeCanonicalizationTransformation(ICanonicalMoleculeLabeller labeller) |
Modifier and Type | Method and Description |
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ITransformation.TargetType |
getTargetType() |
org.openscience.cdk.interfaces.IAtomContainer |
transform(org.openscience.cdk.interfaces.IAtomContainer atomContainer) |
public MoleculeCanonicalizationTransformation(ICanonicalMoleculeLabeller labeller)
labeller
- public ITransformation.TargetType getTargetType()
getTargetType
in interface ITransformation<org.openscience.cdk.interfaces.IAtomContainer>
public org.openscience.cdk.interfaces.IAtomContainer transform(org.openscience.cdk.interfaces.IAtomContainer atomContainer)
transform
in interface ITransformation<org.openscience.cdk.interfaces.IAtomContainer>
atomContainer
-