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Cleaned up documentation, reworded and added example usage. Update tu…
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…torial link to a site which has backed up the now missing web page.
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johnmay committed Nov 9, 2012
1 parent e6f3e8a commit 15735a4
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43 changes: 24 additions & 19 deletions src/main/org/openscience/cdk/graph/AtomContainerAtomPermutor.java
@@ -1,10 +1,5 @@
/*
* $RCSfile$
* $Author$
* $Date$
* $Revision$
*
* Copyright (C) 1997-2007 The Chemistry Development Kit (CDK) project
* Copyright (C) 1997-2012 The Chemistry Development Kit (CDK) project
*
* Contact: cdk-devel@lists.sourceforge.net
*
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* You should have received a copy of the GNU Lesser General Public License
* along with this program; if not, write to the Free Software
* Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
*
*/
package org.openscience.cdk.graph;

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import org.openscience.cdk.Atom;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.tools.LoggingTool;

/**
* This class allows to iterate trough the set of all possible
* permutations of the atom order in a given atom container.
* It allows to check for a dependency of algorithm results
* on the atom order.
*
* <p>The permutation code here is based on a pseudo code example
* on a tutorial site created and maintained by Phillip P. Fuchs:
* <a href="http://www.geocities.com/permute_it/pseudo2.html">http://www.geocities.com/permute_it/pseudo2.html</a>.
*
*@author steinbeck
* This class iterates through all possible permutations of the atom order in a
* given atom container. These permutations ensure that the results of an
* algorithm are independent of atom order.
* <p/>
* <pre>{@code
*
* IAtomContainer container = ...;
* AtomContainerPermutor permutor = new AtomContainerAtomPermutor(container);
*
* while (permutor.hasNext()) {
* IAtomContainer permutation = permutor.next();
* }
*
* }</pre>
* <p/>
* The permutation code here is based on a tutorial by Phillip P. Fuchs.
*

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@egonw

egonw Nov 9, 2012

Ah, this is a nice example where you can use {@cdk.cite XXXX} ... the URL goes in as bibtexml into

doc/refs/cheminf.bibx

E.g. like:

< bibtex:entry id="BER2001">
< bibtex:misc>
< bibtex:author>Bernstein, H.J./bibtex:author
< bibtex:title>Manual RasMol 2.7.2.1 - CPK Colours/bibtex:title
< bibtex:url>http://www.openrasmol.org/doc/rasmol.html#cpkcolours/bibtex:url
< /bibtex:misc>
< /bibtex:entry>

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@johnmay

johnmay Nov 9, 2012

Author Owner

Is this right: 71c3f3b

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@egonw

egonw Mar 23, 2013

Link does not work...

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@johnmay

johnmay Mar 23, 2013

Author Owner

Hmm... it works for me. Or do you mean in the javadoc?

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@egonw

egonw Mar 23, 2013

This one: 71c3f3b

(not away for the party yet?)

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@johnmay

johnmay Mar 23, 2013

Author Owner

Not yet, hmm? You mean the commit is missing? I think I squished it...

* @author steinbeck
* @see <a href="http://www.oocities.org/permute_it/pseudo2.html">
* Phillip P. Fuchs Tutorial</a>
* @cdk.githash
*@cdk.created 2005-05-04
*@cdk.keyword permutation
* @cdk.created 2005-05-04
* @cdk.keyword permutation
*/
public class AtomContainerAtomPermutor extends AtomContainerPermutor
{
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