org.openscience.cdk.graph

Class AtomContainerAtomPermutor

java.lang.Object

org.openscience.cdk.graph.Permutor

org.openscience.cdk.graph.AtomContainerPermutor

org.openscience.cdk.graph.AtomContainerAtomPermutor

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:

master

Belongs to CDK module:

standard

Keywords:

permutation

Created on:

2009-09-09

Field Summary

Fields inherited from class org.openscience.cdk.graph.AtomContainerPermutor

atomContainer

Constructor Summary

Constructors

Constructor and Description
AtomContainerAtomPermutor(IAtomContainer atomContainer) A permutor wraps the original atom container, and produces cloned (and permuted!) copies on demand.

Method Summary

Modifier and Type	Method and 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

Methods inherited from class org.openscience.cdk.graph.Permutor

calculateMaxRank, getCurrentPermutation, getNextPermutation, getRandomNextPermutation, getRank, hasNext, setPermutation, setRank

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface java.util.Iterator

forEachRemaining, hasNext

Constructor Detail

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

Method Detail

containerFromPermutation

public IAtomContainer containerFromPermutation(int[] permutation)

Generate the atom container with this permutation of the atoms.

Specified by:

containerFromPermutation in class AtomContainerPermutor

Parameters:

permutation - the permutation to use

Returns:

the