@TestClass(value="org.openscience.cdk.fingerprint.SimpleAtomComparatorTest") public class SimpleAtomComparator extends Object implements Comparator<IAtom>, Serializable
This code returns a sorted set of atoms for a container according to its symbol and hybridization states. This will aid in finding a deterministic path rather than Stochastic one.
Constructor and Description |
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SimpleAtomComparator() |
@TestMethod(value="testCompare_NullHybridization,testCompare_SameHybridization,testCompare_DifferentHybridization,testCompare_DifferentSymbol") public int compare(IAtom o1, IAtom o2)
compare
in interface Comparator<IAtom>
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