pdbmonomer.java

化学图形处理软件

/* $Revision: 6013 $ $Author: egonw $$Date: 2006-04-19 15:22:09 +0200 (Wed, 19 Apr 2006) $
 *
 * Copyright (C) 2005-2007  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.
 * 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.
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 * This program is distributed in the hope that it will be useful,
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 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
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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
 *
 * @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;
	}

}