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AtomicNumberAtom.java

/*
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 *  $Author: $
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 *
 *  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.
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 *  This program is distributed in the hope that it will be useful,
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 *  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
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package org.openscience.cdk.isomorphism.matchers.smarts;

import org.openscience.cdk.interfaces.IAtom;

/**
 * It matches an atom using the atomic number
 *
 * @author Dazhi Jiao
 * @cdk.created 2007-05-10
 * @cdk.module smarts
 * @cdk.keyword SMARTS AST
 */
00042 public class AtomicNumberAtom extends SMARTSAtom {
00043       private static final long serialVersionUID = 4811205092161793129L;
00044       private int atomicNumber;
      
      public AtomicNumberAtom(int atomicNumber) {
            this.atomicNumber = atomicNumber;
      }
      
00050     public boolean matches(IAtom atom) {
      // TODO: this is just a hack for a few
      if (atom.getAtomicNumber() != 0) {
            return (atom.getAtomicNumber() == atomicNumber);
      } 
      if (atom.getSymbol().equals("C")) {
            return atomicNumber == 6;
      } else if (atom.getSymbol().equals("O")) {
            return atomicNumber == 8;
      } else if (atom.getSymbol().equals("N")) {
            return atomicNumber == 7;
      }
      return false;
    }
}

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