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* $Date: 2007-02-16 13:56:34 +0100 (Fri, 16 Feb 2007) $
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* Copyright (C) 2006-2007 Egon Willighagen <egonw@users.sf.net>
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* Contact: cdk-devel@lists.sourceforge.net
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* This program is free software; you can redistribute it and/or
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* modify it under the terms of the GNU Lesser General Public License
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* as published by the Free Software Foundation; either version 2.1
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* of the License, or (at your option) any later version.
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* This program is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU Lesser General Public License for more details.
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* You should have received a copy of the GNU Lesser General Public License
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* along with this program; if not, write to the Free Software
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* Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
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package org.openscience.cdk.interfaces;
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* Represents a set of Molecules.
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* @cdk.module interfaces
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* @cdk.created 2005-08-25
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public interface IMoleculeSet extends IAtomContainerSet {
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* Adds an IMolecule to this container.
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* @param molecule The molecule to be added to this container
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public void addMolecule(IMolecule molecule);
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* Adds all molecules in the MoleculeSet to this container.
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* @param moleculeSet The MoleculeSet to add
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public void add(IMoleculeSet moleculeSet);
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* Sets the molecules in the IMoleculeSet, removing previously added
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* @param molecules New set of molecules
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public void setMolecules(IMolecule[] molecules);
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* Returns the array of Molecules of this container.
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* @return The array of Molecules of this container
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* @see #setMolecules(IMolecule[])
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public java.util.Iterator molecules();
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* Returns the Molecule at position <code>number</code> in the
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* @param number The position of the Molecule to be returned.
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* @return The Molecule at position <code>number</code> .
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public IMolecule getMolecule(int number);
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* Returns the number of Molecules in this Container.
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* @return The number of Molecules in this Container
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public int getMoleculeCount();