ringpartitionertest.java

化学图形处理软件

/*  $RCSfile$
 *  $Author: egonw $
 *  $Date: 2007-03-10 13:32:01 +0000 (Sa, 10 Mrz 2007) $
 *  $Revision: 8072 $
 *
 *  Copyright (C) 2003-2007  The Chemistry Development Kit (CDK) project
 *
 *  Contact: [e-mail]
 *
 *  This program is free software; you can redistribute it and/or
 *  modify it under the terms of the GNU Lesser General Public License
 *  as published by the Free Software Foundation; either version 2.1
 *  of the License, or (at your option) any later version.
 *
 *  This program is distributed in the hope that it will be useful,
 *  but WITHOUT ANY WARRANTY; without even the implied warranty of
 *  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 *  GNU Lesser General Public License for more details.
 *
 *  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.test.ringsearch;

import junit.framework.Test;
import junit.framework.TestSuite;

import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.interfaces.IMolecule;
import org.openscience.cdk.interfaces.IRingSet;
import org.openscience.cdk.ringsearch.RingPartitioner;
import org.openscience.cdk.ringsearch.SSSRFinder;
import org.openscience.cdk.templates.MoleculeFactory;
import org.openscience.cdk.test.CDKTestCase;
//import org.openscience.cdk.tools.LoggingTool;

/**
 * This class tests the RingPartitioner class.
 *
 * @cdk.module test-standard
 *
 * @author         kaihartmann
 * @cdk.created    2005-05-24
 */
public class RingPartitionerTest extends CDKTestCase
{

	static boolean standAlone = false;
	//private LoggingTool logger = null;


	/**
	 *  Constructor for the RingPartitionerTest object
	 *
	 *@param  name  Description of the Parameter
	 */
	public RingPartitionerTest(String name)
	{
		super(name);
	}


	/**
	 *  The JUnit setup method
	 */
	public void setUp() throws Exception {
        super.setUp();
		//logger = new LoggingTool(this);
	}


	/**
	 *  A unit test suite for JUnit
	 *
	 *@return    The test suite
	 */
	public static Test suite()
	{
		return new TestSuite(RingPartitionerTest.class);
	}


	/**
	 *  A unit test for JUnit
	 */
	public void testConvertToAtomContainer_IRingSet()
	{
		IMolecule molecule = MoleculeFactory.makeAlphaPinene();
		SSSRFinder sssrf = new SSSRFinder(molecule);

		IRingSet ringSet = sssrf.findSSSR();
		IAtomContainer ac = RingPartitioner.convertToAtomContainer(ringSet);
        assertEquals(7, ac.getAtomCount());
        assertEquals(8, ac.getBondCount());
	}
	
}