/*  $RCSfile$ *  $Author: egonw $ *  $Date: 2007-01-18 09:34:32 +0000 (Do, 18 Jan 2007) $ *  $Revision: 7731 $ * *  Copyright (C) 1997-2007  The Chemistry Development Kit (CKD) project * *  Contact: cdk-devel@lists.sourceforge.net * *  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. *  All I ask is that proper credit is given for my work, which includes *  - but is not limited to - adding the above copyright notice to the beginning *  of your source code files, and to any copyright notice that you may distribute *  with programs based on this work. * *  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.tools;import java.util.Iterator;import junit.framework.Test;import junit.framework.TestSuite;import org.openscience.cdk.CDKConstants;import org.openscience.cdk.Ring;import org.openscience.cdk.interfaces.IBond;import org.openscience.cdk.test.CDKTestCase;import org.openscience.cdk.tools.DeAromatizationTool;/** * Tests the DeAromatizationTool. * * @cdk.module test-standard */public class DeAromatizationToolTest extends CDKTestCase {		public DeAromatizationToolTest(String name) {		super(name);	}	public static Test suite() {		return new TestSuite(DeAromatizationToolTest.class);	}	public void testBezene() {		Ring benzene = new Ring(6, "C");		Iterator bonds = benzene.bonds();		while (bonds.hasNext()) ((IBond)bonds.next()).setFlag(CDKConstants.ISAROMATIC, true);		boolean success = DeAromatizationTool.deAromatize(benzene);		assertTrue(success);		double bondOrderSum = 0.0;		bonds = benzene.bonds();		while (bonds.hasNext()) bondOrderSum += ((IBond)bonds.next()).getOrder();		assertEquals(9.0, bondOrderSum, 0.00001);	}		public void testPyridine() {		Ring pyridine = new Ring(6, "C");		pyridine.getAtom(0).setSymbol("N");		Iterator bonds = pyridine.bonds();		while (bonds.hasNext()) ((IBond)bonds.next()).setFlag(CDKConstants.ISAROMATIC, true);		boolean success = DeAromatizationTool.deAromatize(pyridine);		assertTrue(success);		double bondOrderSum = 0.0;		bonds = pyridine.bonds();		while (bonds.hasNext()) bondOrderSum += ((IBond)bonds.next()).getOrder();		assertEquals(9.0, bondOrderSum, 0.00001);	}		public void testDeAromatize_IRing() {		Ring butadiene = new Ring(4, "C");		boolean success = DeAromatizationTool.deAromatize(butadiene);		assertFalse(success);	}	}