Package | Description |
---|---|
org.openscience.cdk.isomorphism | |
org.openscience.cdk.smiles.smarts |
Modifier and Type | Method and Description |
---|---|
Mappings |
Mappings.filter(com.google.common.base.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 |
VentoFoggia.matchAll(IAtomContainer target)
Find all mappings of this pattern in the
target . |
Mappings |
Ullmann.matchAll(IAtomContainer target) |
abstract Mappings |
Pattern.matchAll(IAtomContainer target)
Find all mappings of this pattern in the
target . |
Mappings |
Pattern.matchAll(IReaction target)
Find all mappings of this pattern in the
target reaction. |
Mappings |
Mappings.stereochemistry()
Filter the mappings for those which preserve stereochemistry specified in
the query.
|
Mappings |
Mappings.uniqueAtoms()
Filter the mappings for those which cover a unique set of atoms in the
target.
|
Mappings |
Mappings.uniqueBonds()
Filter the mappings for those which cover a unique set of bonds in the
target.
|
Modifier and Type | Method and Description |
---|---|
Mappings |
SmartsPattern.matchAll(IAtomContainer target)
Obtain the mappings of the query pattern against the target compound.
|
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