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TotalConnectionAtom.java

/*
 *  $RCSfile$
 *  $Author: Sushil Ronghe $
 *  $Date: 2007-04-12  $
 *  $Revision: 6631 $
 *
 *  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.CDKConstants;

/**
 * 
 * @author niper
 */
00040 public class TotalConnectionAtom extends SMARTSAtom {
00041       private static final long serialVersionUID = 2714616726873309671L;

      private int Count;

      private String Elem;

      /** Creates a new instance of TotalConnectionAtom */
00048       public TotalConnectionAtom() {
            Count = Default;
      }

      public TotalConnectionAtom(int m_XX) {
            Count = m_XX;
      }

00056       public void setSymbol(String ss) {
            Elem = ss;
      }

      public int getOperator() {
            if (ID != null && this.Count == Default)
                  return 1;
            else if (ID != null && this.Count != Default)
                  return 2;
            else if (this.Count == Default)
                  return 3;
            else if (this.Count != Default)
                  return 4;
            return 5;
      }

      public int getXX(IAtom atom) {
            if (atom.getProperty(CDKConstants.TOTAL_CONNECTIONS) != null)
                  return ((Integer) atom.getProperty(CDKConstants.TOTAL_CONNECTIONS))
                              .intValue();
            else
                  return 0;
      }

00080       public boolean matches(IAtom atom) {
            switch (getOperator()) {
            case 1:
                  return defaultOperatorCheck(atom) && (atom.getSymbol().equals(this.Elem));
            case 2:
                  return nonDefaultOperatorCheck(atom) && (atom.getSymbol().equals(this.Elem));
            case 3:
                  return defaultCheck(atom) && (atom.getSymbol().equals(this.Elem));
            case 4:
                  return nonDefaultCheck(atom);
            default:
                  return false;
            }
      };

      /*
      public boolean matches(IAtom atom) {
            if (matche(atom)) {
                  if (atom.getSymbol().equals(this.Elem))
                        return true;
                  else
                        return false;
            }
            return false;
      }
      */

      private boolean defaultCheck(IAtom atom) {
            if (getXX(atom) != 0)
                  return true;
            return false;
      }

      private boolean nonDefaultCheck(IAtom atom) {
            if (getXX(atom) != 0 && getXX(atom) == this.Count)
                  return true;
            return false;
      }

      private boolean defaultOperatorCheck(IAtom atom) {
            if (getXX(atom) == 0)
                  return true;
            return false;
      }

      private boolean nonDefaultOperatorCheck(IAtom atom) {
            if (getXX(atom) != 0 && getXX(atom) != this.Count)
                  return false;
            return false;
      }

00131       public String toString() {
            return new String("TotalConnectionAtom (" + Count + ")");
      }
}

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