chemmodel.java

化学图形处理软件

/* $RCSfile$    
 * $Author: egonw $    
 * $Date: 2007-01-04 18:46:10 +0100 (Thu, 04 Jan 2007) $    
 * $Revision: 7636 $
 *
 * Copyright (C) 1997-2007  Christoph Steinbeck <[e-mail]>
 *
 * Contact: [e-mail]
 * 
 * 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;

import java.io.Serializable;

import org.openscience.cdk.interfaces.IChemModel;
import org.openscience.cdk.interfaces.IChemObjectChangeEvent;
import org.openscience.cdk.interfaces.IChemObjectListener;
import org.openscience.cdk.interfaces.ICrystal;
import org.openscience.cdk.interfaces.IRingSet;
import org.openscience.cdk.interfaces.IMoleculeSet;
import org.openscience.cdk.interfaces.IReactionSet;

/** 
 * An object containig multiple MoleculeSet and 
 * the other lower level concepts like rings, sequences, 
 * fragments, etc.
 *
 * @cdk.module data
 */
public class ChemModel extends ChemObject implements Serializable, IChemModel, IChemObjectListener, Cloneable
{

	/**
     * 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 imcompatible 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 = -5213425310451366185L;

	/**
	 *  A MoleculeSet.
	 */
	protected IMoleculeSet setOfMolecules = null;

	/**
	 *  A ReactionSet.
	 */
	protected IReactionSet setOfReactions = null;

	/**
	 *  A RingSet.
	 */
	protected IRingSet ringSet = null;
	
    /**
	 *  A Crystal.
	 */
     protected ICrystal crystal = null;

	/**
	 *  Constructs an new ChemModel with a null setOfMolecules.
	 */
	public ChemModel() {}

	/**
	 * Returns the MoleculeSet of this ChemModel.
	 *
	 * @return   The MoleculeSet of this ChemModel
     *
     * @see      #setMoleculeSet
	 */
	public IMoleculeSet getMoleculeSet()
	{
		return (MoleculeSet)this.setOfMolecules;
	}


	/**
	 * Sets the MoleculeSet of this ChemModel.
	 *
	 * @param   setOfMolecules  the content of this model
     *
     * @see      #getMoleculeSet
	 */
	public void setMoleculeSet(IMoleculeSet setOfMolecules)
	{
		this.setOfMolecules = setOfMolecules;
		this.setOfMolecules.addListener(this);
		notifyChanged();
	}

	

	/**
	 * Returns the RingSet of this ChemModel.
	 *
	 * @return the ringset of this model
     *
     * @see      #setRingSet
	 */
	public IRingSet getRingSet() {
		return this.ringSet;
	}


	/**
	 * Sets the RingSet of this ChemModel.
	 *
	 * @param   ringSet         the content of this model
     *
     * @see      #getRingSet
	 */
	public void setRingSet(IRingSet ringSet)
	{
		this.ringSet = ringSet;
		notifyChanged();
	}

    /**
     * Gets the Crystal contained in this ChemModel.
     *
     * @return The crystal in this model
     *
     * @see      #setCrystal
     */
    public ICrystal getCrystal() {
        return this.crystal;
    }

    /**
     * Sets the Crystal contained in this ChemModel.
     *
     * @param   crystal  the Crystal to store in this model
     *
     * @see      #getCrystal
     */
    public void setCrystal(ICrystal crystal) {
        this.crystal = crystal;
	this.crystal.addListener(this);
	notifyChanged();
    }

    /**
     * Gets the ReactionSet contained in this ChemModel.
     *
     * @return The ReactionSet in this model
     *
     * @see      #setReactionSet
     */
    public IReactionSet getReactionSet() {
        return this.setOfReactions;
    }

    /**
     * Sets the ReactionSet contained in this ChemModel.
     *
     * @param sor the ReactionSet to store in this model
     *
     * @see       #getReactionSet
     */
    public void setReactionSet(IReactionSet sor) {
        this.setOfReactions = sor;
	this.setOfReactions.addListener(this);
	notifyChanged();
    }
    
    /**
     * Returns a String representation of the contents of this
     * IChemObject.
     *
     * @return String representation of content
     */
    public String toString() {
        StringBuffer buffer = new StringBuffer(64);
        buffer.append("ChemModel(");
        buffer.append(hashCode());
        if (getMoleculeSet() != null) {
            buffer.append(", ");
            buffer.append(getMoleculeSet().toString());
        } else {
            buffer.append(", No MoleculeSet");
        }
        if (getCrystal() != null) {
            buffer.append(getCrystal().toString());
            buffer.append(", ");
        } else {
            buffer.append(", No Crystal");
        }
        if (getReactionSet() != null) {
            buffer.append(getReactionSet().toString());
            buffer.append(", ");
        } else {
            buffer.append(", No ReactionSet");
        }
        buffer.append(')');
        return buffer.toString();
    }

	/**
	 * Clones this <code>ChemModel</code> and its content.
	 *
	 * @return  The cloned object
	 */
	public Object clone() throws CloneNotSupportedException {
		ChemModel clone = (ChemModel)super.clone();
        // clone the content
        if (setOfMolecules != null) {
            clone.setOfMolecules = (MoleculeSet)((MoleculeSet)setOfMolecules).clone();
        } else {
            clone.setOfMolecules = null;
        }
        if (setOfReactions != null) {
            clone.setOfReactions = (IReactionSet)((ReactionSet)setOfReactions).clone();
        } else {
            clone.setOfReactions = null;
        }
        if (crystal != null) {
            clone.crystal = (Crystal)((Crystal)crystal).clone();
        } else {
            clone.crystal = null;
        }
        if (ringSet != null) {
            clone.ringSet = (RingSet)((RingSet)ringSet).clone();
        } else {
            clone.ringSet = null;
        }
		return clone;
	}
	
	/**
	 *  Called by objects to which this object has
	 *  registered as a listener.
	 *
	 *@param  event  A change event pointing to the source of the change
	 */
	public void stateChanged(IChemObjectChangeEvent event)
	{
		notifyChanged(event);
	}
}