/* $Revision$ $Author$$Date$
*
* Copyright (C) 2005-2007 Egon Willighagen <egonw@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.
* All we ask is that proper credit is given for our work, which includes
* - but is not limited to - adding the above copyright notice to the beginning
* of your source code files, and to any copyright notice that you may distribute
* with programs based on this work.
*
* 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.protein.data;
import org.openscience.cdk.Monomer;
import org.openscience.cdk.interfaces.IPDBMonomer;
/**
* Represents the idea of an monomer as used in PDB files. It contains extra fields
* normally associated with atoms in such files.
*
* @cdk.module data
* @cdk.githash
*
* @see PDBAtom
*/
public class PDBMonomer extends Monomer implements Cloneable, IPDBMonomer{
private static final long serialVersionUID = -7236625816763776733L;
private String iCode;
/**
* Denotes which chain in the PDB file this monomer is in.
*/
private String chainID;
/**
* Denotes which residue sequence in the current chain that this monomer is in.
*/
private String resSeq;
public PDBMonomer() {
super();
initValues();
}
private void initValues() {
iCode = null;
chainID = null;
}
public void setICode(String newICode) {
iCode = newICode;
}
public String getICode() {
return iCode;
}
public void setChainID(String newChainID) {
chainID = newChainID;
}
public String getChainID() {
return chainID;
}
/**
* Returns a one line string representation of this Atom.
* Methods is conform RFC #9.
*
* @return The string representation of this Atom
*/
public String toString() {
StringBuffer description = new StringBuffer();
description.append("PDBMonomer(");
description.append(this.hashCode()).append(", ");
description.append("iCode=").append(getICode()).append(", ");
description.append("chainID=").append(getChainID()).append(", ");
description.append(super.toString());
description.append(")");
return description.toString();
}
public String getResSeq() {
return resSeq;
}
public void setResSeq(String resSeq) {
this.resSeq = resSeq;
}
}