aliphaticatom.java

化学图形处理软件

/* $RCSfile$
 * $Author: djiao $
 * $Date: 2007-05-11 16:02:02 +0200 (Fri, 11 May 2007) $
 * $Revision: 8317 $
 * 
 * Copyright (C) 2004-2007  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.isomorphism.matchers.smarts;

import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.CDKConstants;

/**
 * This matcher any non-aromatic atom. This assumes that aromaticity in the
 * molecule has been perceived.
 * 
 * @cdk.module extra
 */
public class AliphaticAtom extends SMARTSAtom {

	private static final long serialVersionUID = 5145049891214205622L;

	public AliphaticAtom() {
		setFlag(CDKConstants.ISALIPHATIC, true);
	}

	public int getOperator() {
		if (ID != null)
			return 1;
		return 2;
	}

	public boolean matches(IAtom atom) {
		switch (getOperator()) {
		case 1: {
			if (atom.getFlag(CDKConstants.ISAROMATIC))
				return true;
		}
		case 2:
			return (!atom.getFlag(CDKConstants.ISAROMATIC)); 
		default:
			return false;
		}

	};

	public String toString() {
		return "AliphaticAtom()";
	}
}