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package com.hfg.chem;


import com.hfg.util.CompareUtil;
import com.hfg.util.StringBuilderPlus;

//------------------------------------------------------------------------------
/**
 Represents a covalent bond between atoms.

 @author J. Alex Taylor, hairyfatguy.com
 */
//------------------------------------------------------------------------------
// com.hfg XML/HTML Coding Library
//
// This library 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 library 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 library; if not, write to the Free Software
// Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
//
// J. Alex Taylor, President, Founder, CEO, COO, CFO, OOPS hairyfatguy.com
// [email protected]
//------------------------------------------------------------------------------

public class CovalentBond implements Comparable
{
   private Atom mFirstAtom;
   private Integer mBondOrder; // i.e: 1, 2, 3, or 4
   private Atom mSecondAtom;

   // Indicates if this bond is part of an aromatic ring
   private Boolean mAromatic;

   // Used for indicating the configuration of atoms around double bonds (cis/trans).
   private Boolean mUp;
   private Boolean mDown;

   private Atom[] mSortedAtoms = new Atom[2];

   //##########################################################################
   // CONSTRUCTORS
   //##########################################################################

   //--------------------------------------------------------------------------
   public CovalentBond(Atom inAtom1, int inBondOrder)
   {
      this(inAtom1, inBondOrder, null);
   }

   //--------------------------------------------------------------------------
   public CovalentBond(Atom inAtom1, Atom inAtom2)
   {
      this(inAtom1, null, inAtom2);
   }

   //--------------------------------------------------------------------------
   public CovalentBond(Atom inAtom1, Integer inBondOrder, Atom inAtom2)
   {
      mFirstAtom = inAtom1;
      mBondOrder = inBondOrder;
      mSecondAtom = inAtom2;

      orderAtoms();
   }

   //##########################################################################
   // PUBLIC METHODS
   //##########################################################################

   //--------------------------------------------------------------------------
   @Override
   public String toString()
   {
      StringBuilderPlus buffer = new StringBuilderPlus().setDelimiter(" ");
      if (mFirstAtom != null)
      {
         buffer.append(mFirstAtom);
      }

      if (mBondOrder != null)
      {
         char bondChar;
         switch (mBondOrder)
         {
            case 1:
               bondChar = '-';
               break;
            case 2:
               bondChar = '=';
               break;
            case 3:
               bondChar = '≡';
               break;
            default:
               bondChar = mBondOrder.toString().charAt(0);
         }
         buffer.delimitedAppend(bondChar);
      }

      if (mSecondAtom != null)
      {
         buffer.delimitedAppend(mSecondAtom);
      }

      return buffer.toString();
   }
   
   //--------------------------------------------------------------------------
   @Override
   public int hashCode()
   {
      int hashcode = 31;
      if (mFirstAtom != null)
      {
         hashcode += mFirstAtom.hashCode();
      }

      if (mSecondAtom != null)
      {
         hashcode += mSecondAtom.hashCode();
      }

      return hashcode;
   }


   //--------------------------------------------------------------------------
   @Override
   public boolean equals(Object inObj)
   {
      boolean result = false;

      if (inObj != null)
      {
         result = (0 == compareTo(inObj));
      }

      return result;
   }

   //--------------------------------------------------------------------------
   @Override
   public int compareTo(Object inObj)
   {
      int result = -1;

      if (inObj instanceof CovalentBond)
      {
         // The order of the atoms shouldn't matter for comparison purposes
         // so we'll use our sorted array for the comparison for consistency.

         result = CompareUtil.compare(mSortedAtoms[0], ((CovalentBond) inObj).mSortedAtoms[0]);

         if (0 == result)
         {
            result = CompareUtil.compare(mSortedAtoms[1], ((CovalentBond) inObj).mSortedAtoms[1]);
         }
      }

      return result;
   }

   //--------------------------------------------------------------------------
   public Atom getFirstAtom()
   {
      return mFirstAtom;
   }

   //--------------------------------------------------------------------------
   public Integer getSpecifiedBondOrder()
   {
      return mBondOrder;
   }

   //--------------------------------------------------------------------------
   public CovalentBond setBondOrder(Integer inValue)
   {
      mBondOrder = inValue;
      return this;
   }

   //--------------------------------------------------------------------------
   public int getBondOrder()
   {
      return mBondOrder != null ? mBondOrder : 1;
   }

   //--------------------------------------------------------------------------
   public CovalentBond setSecondAtom(Atom inValue)
   {
      mSecondAtom = inValue;
      orderAtoms();
      return this;
   }

   //--------------------------------------------------------------------------
   public Atom getSecondAtom()
   {
      return mSecondAtom;
   }


   //--------------------------------------------------------------------------
   public CovalentBond setIsAromatic()
   {
      mAromatic = true;
      return this;
   }

   //--------------------------------------------------------------------------
   public boolean isAromatic()
   {
      return mAromatic;
   }


   //--------------------------------------------------------------------------
   public CovalentBond setIsUp()
   {
      mUp = true;
      return this;
   }

   //--------------------------------------------------------------------------
   public boolean isUp()
   {
      return mUp;
   }


   //--------------------------------------------------------------------------
   public CovalentBond setIsDown()
   {
      mDown = true;
      return this;
   }

   //--------------------------------------------------------------------------
   public boolean isDown()
   {
      return mDown;
   }

   //--------------------------------------------------------------------------
   public boolean eq()
   {
      return mDown;
   }

   //###########################################################################
   // PRIVATE METHODS
   //###########################################################################

   //--------------------------------------------------------------------------
   private void orderAtoms()
   {
      if (CompareUtil.compare(mFirstAtom, mSecondAtom) < 0)
      {
         mSortedAtoms[0] = mFirstAtom;
         mSortedAtoms[1] = mSecondAtom;
      }
      else
      {
         mSortedAtoms[0] = mSecondAtom;
         mSortedAtoms[1] = mFirstAtom;
      }
   }

}