@TestClass(value="org.openscience.cdk.isomorphism.SmartsStereoMatchTest") public final class SmartsStereoMatch extends Object implements com.google.common.base.Predicate<int[]>
Constructor and Description |
---|
SmartsStereoMatch(IAtomContainer query,
IAtomContainer target)
Create a predicate for checking mappings between a provided
query and target . |
Modifier and Type | Method and Description |
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boolean |
apply(int[] mapping)
Is the
mapping of the stereochemistry in the query preserved in
the target. |
public SmartsStereoMatch(IAtomContainer query, IAtomContainer target)
query
and target
.query
- query containertarget
- target container@TestMethod(value="tetrahedral_match,tetrahedral_mismatch") public boolean apply(int[] mapping)
mapping
of the stereochemistry in the query preserved in
the target.apply
in interface com.google.common.base.Predicate<int[]>
mapping
- permutation of the query verticesCopyright © 2014. All Rights Reserved.