Class CanonicalLabellingAdaptor
- java.lang.Object
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- org.openscience.cdk.smsd.labelling.CanonicalLabellingAdaptor
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- All Implemented Interfaces:
ICanonicalMoleculeLabeller
@Deprecated public class CanonicalLabellingAdaptor extends Object implements ICanonicalMoleculeLabeller
Deprecated.This class is part of SMSD and either duplicates functionality elsewhere in the CDK or provides public access to internal implementation details. SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.- Source code:
- main
- Belongs to CDK module:
- smsd
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Constructor Summary
Constructors Constructor Description CanonicalLabellingAdaptor()
Deprecated.
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Method Summary
All Methods Instance Methods Concrete Methods Deprecated Methods Modifier and Type Method Description IAtomContainer
getCanonicalMolecule(IAtomContainer container)
Deprecated.int[]
getCanonicalPermutation(IAtomContainer container)
Deprecated.
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Method Detail
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getCanonicalMolecule
public IAtomContainer getCanonicalMolecule(IAtomContainer container)
Deprecated.- Specified by:
getCanonicalMolecule
in interfaceICanonicalMoleculeLabeller
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getCanonicalPermutation
public int[] getCanonicalPermutation(IAtomContainer container)
Deprecated.- Specified by:
getCanonicalPermutation
in interfaceICanonicalMoleculeLabeller
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