/*
* $RCSfile$
* $Author: egonw $
* $Date: 2006-03-29 10:27:08 +0200 (Wed, 29 Mar 2006) $
* $Revision: 5855 $
*
* Copyright (C) 2006-2007 Miguel Rojas <miguelrojasch@yahoo.es>
*
* 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.
*
* 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.reaction;
import java.util.HashMap;
import java.util.Iterator;
import java.util.Set;
import java.util.Map.Entry;
import org.openscience.cdk.ReactionSet;
import org.openscience.cdk.annotations.TestClass;
import org.openscience.cdk.annotations.TestMethod;
import org.openscience.cdk.interfaces.IReaction;
/**
* Classes that extends the definition of reaction to a chain reaction.
* This is designed to contains a set of reactions which are lineal linked as
* chain. That would mean no exist branches or cycles and in this concept
* you have a start reaction and final reaction. Each reaction is included
* in a step of the chain.
*
* @author miguelrojasch <miguelrojasch@yahoo.es>
* @cdk.module reaction
*/
@TestClass(value="org.openscience.cdk.reaction.ReactionChainTest")
public class ReactionChain extends ReactionSet{
HashMap<IReaction, Integer> hashMapChain = new HashMap<IReaction,Integer>();
/**
* Determines if a de-serialized object is compatible with this class.
*
* This value must only be changed if and only if the new version
* of this class is incompatible with the old version. See Sun docs
* for <a href=http://java.sun.com/products/jdk/1.1/docs/guide
* /serialization/spec/version.doc.html>details</a>.
*/
private static final long serialVersionUID = 5006986269373043994L;
/**
* Added a IReaction for this chain in position.
*
* @param reaction The IReaction
* @param position The position in this chain where the reaction is to be inserted
*/
@TestMethod(value="testAddReaction_IReaction_int")
public void addReaction(IReaction reaction, int position){
hashMapChain.put(reaction, position);
this.addReaction(reaction);
}
/**
* Get the position of the reaction into this chain reaction object.
* @param reaction The IReaction to look at
* @return The position of the IReaction in this chain
*/
@TestMethod(value="testGetReactionStep_IReaction")
public int getReactionStep(IReaction reaction){
if(hashMapChain.containsKey(reaction))
return hashMapChain.get(reaction);
else
return -1;
}
/**
* Get the reaction of this chain reaction object at the position.
*
* @param position The position of the IReaction in this chain to look for
* @return Reaction The IReaction to look at
*
*/
@TestMethod(value="testGetReaction_int")
public IReaction getReaction(int position){
if(hashMapChain.containsKey(position))
return null;
Set<Entry<IReaction, Integer>> entries = hashMapChain.entrySet();
for(Iterator<Entry<IReaction, Integer>> it = entries.iterator(); it.hasNext();){
Entry<IReaction, Integer> entry = it.next();
if(entry.getValue().equals(position))
return entry.getKey();
}
return null;
}
}
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