/* $RCSfile$
* $Author$
* $Date$
* $Revision$
*
* Copyright (C) 1997-2007 Christoph Steinbeck <steinbeck@users.sf.net>
*
* 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;
import org.openscience.cdk.interfaces.*;
import java.io.Serializable;
/**
* An object containing multiple MoleculeSet and
* the other lower level concepts like rings, sequences,
* fragments, etc.
*
* @cdk.module data
* @cdk.githash
*/
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 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 = -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 this.setOfMolecules;
}
/**
* Sets the MoleculeSet of this ChemModel.
*
* @param setOfMolecules the content of this model
*
* @see #getMoleculeSet
*/
public void setMoleculeSet(IMoleculeSet setOfMolecules)
{
if (this.setOfMolecules != null)
this.setOfMolecules.removeListener(this);
this.setOfMolecules = setOfMolecules;
if (this.setOfMolecules != null)
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)
{
if (this.ringSet != null)
this.ringSet.removeListener(this);
this.ringSet = ringSet;
if (this.ringSet != null)
this.ringSet.addListener(this);
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) {
if (this.crystal != null)
this.crystal.removeListener(this);
this.crystal = crystal;
if (this.crystal != null)
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) {
if (this.setOfReactions != null)
this.setOfReactions.removeListener(this);
this.setOfReactions = sor;
if (this.setOfReactions != null)
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());
}
if (getCrystal() != null) {
buffer.append(", ");
buffer.append(getCrystal().toString());
}
if (getReactionSet() != null) {
buffer.append(", ");
buffer.append(getReactionSet().toString());
}
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);
}
}