Interface ICanonicalMoleculeLabeller
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- All Known Implementing Classes:
CanonicalLabellingAdaptor,MoleculeSignatureLabellingAdaptor
@Deprecated public interface 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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Method Summary
All Methods Instance Methods Abstract Methods Deprecated Methods Modifier and Type Method Description IAtomContainergetCanonicalMolecule(IAtomContainer container)Deprecated.int[]getCanonicalPermutation(IAtomContainer container)Deprecated.
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Method Detail
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getCanonicalMolecule
IAtomContainer getCanonicalMolecule(IAtomContainer container)
Deprecated.
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getCanonicalPermutation
int[] getCanonicalPermutation(IAtomContainer container)
Deprecated.
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