/**
 * oxygen.java
 * Copyright (c) 1997 Will Ware, all rights reserved.
 * 
 * Redistribution and use in source and binary forms, with or without
 * modification, are permitted provided that the following conditions
 * are met:
 * 1. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 * 2. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and other materials provided with the distribution.
 * 3. All advertising materials mentioning features or use of this software
 *    or its derived works must display the following acknowledgement:
 * 	This product includes software developed by Will Ware.
 * 
 * This software is provided "as is" and any express or implied warranties,
 * including, but not limited to, the implied warranties of merchantability
 * or fitness for any particular purpose are disclaimed. In no event shall
 * Will Ware be liable for any direct, indirect, incidental, special,
 * exemplary, or consequential damages (including, but not limited to,
 * procurement of substitute goods or services; loss of use, data, or
 * profits; or business interruption) however caused and on any theory of
 * liability, whether in contract, strict liability, or tort (including
 * negligence or otherwise) arising in any way out of the use of this
 * software, even if advised of the possibility of such damage.
 */

import atom;
import java.awt.Color;

public class oxygen extends atom
{
  public static final String rcsid =
  "$Id: oxygen.java,v 1.8 1997/08/13 04:32:19 wware Exp $";
  public static String ename = "Oxygen";
  public static String symbol = "O";
  public static int atomicNumber = 8;
  public static double mass = 16.0;
  public static Color color = Color.red;
  public static double vdwRadius = 1.4;
  public static int expectedNumBonds = 2;
  public oxygen ()
  {
    double newx[] = { 0.0, 0.0, 0.0 };
    x = newx;
    hybridization = SP3;
  }
  public oxygen (double x0, double x1, double x2)
  {
    double newx[] = { x0, x1, x2 };
    x = newx;
    hybridization = SP3;
  }
  public oxygen (int h, double x0, double x1, double x2)
  {
    double newx[] = { x0, x1, x2 };
    x = newx;
    hybridization = h;
  }
  public void rehybridize (int hybrid)
  {
    hybridization = hybrid;
  }
  public void rehybridize ()
  {
    switch (sigmaBonds ())
      {
      default:
      case 2: hybridization = SP3; break;
      case 1: hybridization = SP2; break;
      }
  }
  public double covalentRadius ()
  {
    switch (hybridization)
      {
      default:
      case SP3: return 0.74;
      case SP2: return 0.62;
      case SP: return 0.55;
      }
  }
  public String name () { return "Oxygen"; }
  public String symbol () { return "O"; }
  public int atomicNumber () { return 8; }
  public double mass () { return 16.0; }
  public Color color () { return Color.red; }
  public double vdwEnergy ()
  {
    if (hybridization == SP3)
      return 0.406;
    else
      return 0.536;
  }
  public double vdwRadius () { return 1.4; }
  public int maxNumBonds () { return 2; }
}