Uses of Class
org.openscience.cdk.isomorphism.Mappings
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Packages that use Mappings Package Description org.openscience.cdk.isomorphism org.openscience.cdk.smarts org.openscience.cdk.smiles.smarts -
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Uses of Mappings in org.openscience.cdk.isomorphism
Methods in org.openscience.cdk.isomorphism that return Mappings Modifier and Type Method Description Mappings
Mappings. exclusiveAtoms()
Filter the mappings for those which cover an exclusive set of atoms in the target.Mappings
Mappings. filter(Predicate<int[]> predicate)
Filter the mappings and keep only those which match the provided predicate (Guava).Mappings
Mappings. limit(int limit)
Limit the number of mappings - only this number of mappings will be generate.Mappings
DfPattern. matchAll(IAtomContainer mol)
Find all mappings of this pattern in thetarget
.abstract Mappings
Pattern. matchAll(IAtomContainer target)
Find all mappings of this pattern in thetarget
.Mappings
Pattern. matchAll(IReaction target)
Find all mappings of this pattern in thetarget
reaction.Mappings
Ullmann. matchAll(IAtomContainer target)
Mappings
VentoFoggia. matchAll(IAtomContainer target)
Find all mappings of this pattern in thetarget
.Mappings
Mappings. stereochemistry()
Deprecated.Results now automatically consider stereo if it's present, to match without stereochemistry remove the stereo features.Mappings
Mappings. uniqueAtoms()
Filter the mappings for those which cover a unique atoms in the target.Mappings
Mappings. uniqueBonds()
Filter the mappings for those which cover a unique set of bonds in the target. -
Uses of Mappings in org.openscience.cdk.smarts
Methods in org.openscience.cdk.smarts that return Mappings Modifier and Type Method Description Mappings
SmartsPattern. matchAll(IAtomContainer target)
Obtain the mappings of the query pattern against the target compound. -
Uses of Mappings in org.openscience.cdk.smiles.smarts
Methods in org.openscience.cdk.smiles.smarts that return Mappings Modifier and Type Method Description Mappings
SmartsPattern. matchAll(IAtomContainer target)
Deprecated.Obtain the mappings of the query pattern against the target compound.
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