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* $Date: 2006-04-19 15:01:24 +0200 (Wed, 19 Apr 2006) $
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* Copyright (C) 2001-2007 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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* All we ask is that proper credit is given for our work, which includes
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* - but is not limited to - adding the above copyright notice to the beginning
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* of your source code files, and to any copyright notice that you may distribute
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* with programs based on this work.
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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.protein.data;
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import java.util.ArrayList;
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import java.util.Collection;
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import java.util.List;
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import org.openscience.cdk.Strand;
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import org.openscience.cdk.interfaces.IAtom;
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import org.openscience.cdk.interfaces.IMonomer;
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* An entry in the PDB database. It is not just a regular protein, but the
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* regular PDB mix of protein or protein complexes, ligands, water molecules
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* @author Egon Willighagen
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* @cdk.created 2006-04-19
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* @cdk.keyword polymer
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public class PDBStrand extends Strand {
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private static final long serialVersionUID = 8278569309787734236L;
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List sequentialListOfMonomers;
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* Contructs a new Polymer to store the Monomers.
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sequentialListOfMonomers = new ArrayList();
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* Adds the atom oAtom to a specified Monomer. Additionally, it keeps
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* record of the iCode.
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* @param oAtom The atom to add
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* @param oMonomer The monomer the atom belongs to
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public void addAtom(IAtom oAtom, IMonomer oMonomer) {
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super.addAtom(oAtom, oMonomer);
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if (!sequentialListOfMonomers.contains(oMonomer.getMonomerName()))
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sequentialListOfMonomers.add(oMonomer.getMonomerName());
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* Returns the monomer names in the order in which they were added.
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* @see org.openscience.cdk.interfaces.IPolymer#getMonomerNames()
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public Collection getMonomerNamesInSequentialOrder() {
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// don't return the original
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return new ArrayList(sequentialListOfMonomers);
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public String toString() {
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StringBuffer stringContent = new StringBuffer();
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stringContent.append("PDBPolymer(");
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stringContent.append(this.hashCode()).append(", ");
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stringContent.append(super.toString());
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stringContent.append(")");
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return stringContent.toString();