ichemmodel.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) 2006-2007  Egon Willighagen <[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.interfaces;

/** 
 * An object containig multiple MoleculeSet and 
 * the other lower level concepts like rings, sequences, 
 * fragments, etc.
 *
 * @cdk.module interfaces
 */
public interface IChemModel extends IChemObject {

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

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

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

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

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

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

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

    /**
     * Sets the ReactionSet contained in this ChemModel.
     *
     * @param sor the ReactionSet to store in this model
     * @see       #getReactionSet
     */
    public void setReactionSet(IReactionSet sor);
    
}