@TestClass(value="AtomContainerAtomPermutorTest") public class AtomContainerAtomPermutor extends AtomContainerPermutor
Typical use:
AtomContainerAtomPermutor permutor = new AtomContainerAtomPermutor(container); while (permutor.hasNext()) { IAtomContainer permutedContainer = permutor.next(); ... }
atomContainer
Constructor and Description |
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AtomContainerAtomPermutor(IAtomContainer atomContainer)
A permutor wraps the original atom container, and produces cloned
(and permuted!) copies on demand.
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Modifier and Type | Method and Description |
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IAtomContainer |
containerFromPermutation(int[] permutation)
Generate the atom container with this permutation of the atoms.
|
next, randomNext, remove
calculateMaxRank, getCurrentPermutation, getNextPermutation, getRandomNextPermutation, getRank, hasNext, setPermutation, setRank
@TestMethod(value="constructorTest") public AtomContainerAtomPermutor(IAtomContainer atomContainer)
atomContainer
- the atom container to permute@TestMethod(value="containerFromPermutationTest") public IAtomContainer containerFromPermutation(int[] permutation)
containerFromPermutation
in class AtomContainerPermutor
permutation
- the permutation to useCopyright © 2014. All Rights Reserved.