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Cleaned up documentation, reworded and added example usage. Update tu…
…torial link to a site which has backed up the now missing web page.
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/* | ||
* $RCSfile$ | ||
* $Author$ | ||
* $Date$ | ||
* $Revision$ | ||
* | ||
* 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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@@ -25,7 +20,6 @@ | |
* 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; | ||
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/** | ||
* 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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johnmay
Author
Owner
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* @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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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>