Logo Search packages:      
Sourcecode: cdk version File versions  Download package

PeriodicGroupNumberAtom.java
/*
 *  $RCSfile$
 *  $Author: egonw $
 *  $Date: 2008-07-25 02:46:55 -0400 (Fri, 25 Jul 2008) $
 *  $Revision: 11746 $
 *
 *  Copyright (C) 2002-2006  The Chemistry Development Kit (CDK) 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.isomorphism.matchers.smarts;

import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.tools.PeriodicTable;

/**
 * This matcher checks the periodic group number of an atom.
 *
 * @cdk.module  smarts
 * @cdk.githash
 * @cdk.keyword SMARTS
 */

00043 public class PeriodicGroupNumberAtom extends SMARTSAtom {
    int groupNumber;

    /**
       * Creates a new instance
       *
       * @param groupNumber the periodic group number
       */
00051       public PeriodicGroupNumberAtom(int groupNumber) {
            this.groupNumber = groupNumber;
      }



      /* (non-Javadoc)
       * @see org.openscience.cdk.isomorphism.matchers.smarts.SMARTSAtom#matches(org.openscience.cdk.interfaces.IAtom)
       */
00060       public boolean matches(IAtom atom) {
            String symbol = atom.getSymbol();
        int group = PeriodicTable.getGroup(symbol);
        return group == this.groupNumber;
    }

      /* (non-Javadoc)
       * @see org.openscience.cdk.PseudoAtom#toString()
       */
00069       public String toString() {
            return ("PeriodicGroupNumberAtom(" + this.groupNumber + ")");
      }

}

Generated by  Doxygen 1.6.0   Back to index