Package org.openscience.cdk.graph
Class AtomContainerAtomPermutor
- java.lang.Object
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- org.openscience.cdk.graph.Permutor
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- org.openscience.cdk.graph.AtomContainerPermutor
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- org.openscience.cdk.graph.AtomContainerAtomPermutor
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- All Implemented Interfaces:
Iterator<IAtomContainer>
public class AtomContainerAtomPermutor extends AtomContainerPermutor
An atom container atom permutor that uses ranking and unranking to calculate the next permutation in the series.Typical use:
AtomContainerAtomPermutor permutor = new AtomContainerAtomPermutor(container); while (permutor.hasNext()) { IAtomContainer permutedContainer = permutor.next(); ... }
- Author:
- maclean
- Source code:
- main
- Belongs to CDK module:
- standard
- Keywords:
- permutation
- Created on:
- 2009-09-09
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Field Summary
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Fields inherited from class org.openscience.cdk.graph.AtomContainerPermutor
atomContainer
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Constructor Summary
Constructors Constructor Description AtomContainerAtomPermutor(IAtomContainer atomContainer)
A permutor wraps the original atom container, and produces cloned (and permuted!) copies on demand.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description IAtomContainer
containerFromPermutation(int[] permutation)
Generate the atom container with this permutation of the atoms.-
Methods inherited from class org.openscience.cdk.graph.AtomContainerPermutor
next, randomNext, remove
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Methods inherited from class org.openscience.cdk.graph.Permutor
calculateMaxRank, getCurrentPermutation, getNextPermutation, getRandomNextPermutation, getRank, hasNext, setPermutation, setRank
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Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
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Methods inherited from interface java.util.Iterator
forEachRemaining, hasNext
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Constructor Detail
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AtomContainerAtomPermutor
public AtomContainerAtomPermutor(IAtomContainer atomContainer)
A permutor wraps the original atom container, and produces cloned (and permuted!) copies on demand.- Parameters:
atomContainer
- the atom container to permute
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Method Detail
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containerFromPermutation
public IAtomContainer containerFromPermutation(int[] permutation)
Generate the atom container with this permutation of the atoms.- Specified by:
containerFromPermutation
in classAtomContainerPermutor
- Parameters:
permutation
- the permutation to use- Returns:
- the
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