@TestClass(value="org.openscience.cdk.smsd.algorithm.single.SingleMappingTest") public class SingleMapping extends Object
Constructor and Description |
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SingleMapping()
Default
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Modifier and Type | Method and Description |
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protected List<Map<IAtom,IAtom>> |
getOverLaps(IAtomContainer source,
IAtomContainer target,
boolean removeHydrogen)
Returns single mapping solutions.
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protected List<Map<IAtom,IAtom>> |
getOverLaps(IQueryAtomContainer source,
IAtomContainer target,
boolean removeHydrogen)
Returns single mapping solutions.
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@TestMethod(value="testGetOverLaps") protected List<Map<IAtom,IAtom>> getOverLaps(IAtomContainer source, IAtomContainer target, boolean removeHydrogen) throws CDKException
source
- target
- removeHydrogen
- CDKException
@TestMethod(value="testGetOverLaps") protected List<Map<IAtom,IAtom>> getOverLaps(IQueryAtomContainer source, IAtomContainer target, boolean removeHydrogen) throws CDKException
source
- target
- removeHydrogen
- CDKException
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