/* $RCSfile$
* $Author$
* $Date$
* $Revision$
*
* Copyright (C) 2002-2007 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.
*
* 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;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.ILonePair;
import java.io.Serializable;
/**
* A LonePair is an orbital primarily located with one Atom, containing
* two electrons.
*
* @cdk.module data
* @cdk.githash
*
* @cdk.keyword orbital
* @cdk.keyword lone-pair
*/
public class LonePair extends ElectronContainer implements Serializable, ILonePair, Cloneable
{
/**
* Determines if a de-serialized object is compatible with this class.
*
* This value must only be changed if and only if the new version
* of this class is incompatible with the old version. See Sun docs
* for <a href=http://java.sun.com/products/jdk/1.1/docs/guide
* /serialization/spec/version.doc.html>details</a>.
*/
private static final long serialVersionUID = 51311422004885329L;
/** Number of electrons in the lone pair. */
protected final int electronCount = 2;
/** The atom with which this lone pair is associated. */
protected IAtom atom;
/**
* Constructs an unconnected lone pair.
*
*/
public LonePair() {
this.atom = null;
}
/**
* Constructs an lone pair on an Atom.
*
* @param atom Atom to which this lone pair is connected
*/
public LonePair(IAtom atom) {
this.atom = atom;
}
/**
* Returns the number of electrons in a LonePair.
*
* @return The number of electrons in a LonePair.
*/
public Integer getElectronCount() {
return this.electronCount;
}
/**
* Returns the associated Atom.
*
* @return the associated Atom.
*
* @see #setAtom
*/
public IAtom getAtom() {
return this.atom;
}
/**
* Sets the associated Atom.
*
* @param atom the Atom this lone pair will be associated with
*
* @see #getAtom
*/
public void setAtom(IAtom atom) {
this.atom = atom;
notifyChanged();
}
/**
* Returns true if the given atom participates in this lone pair.
*
* @param atom The atom to be tested if it participates in this bond
* @return true if this lone pair is associated with the atom
*/
public boolean contains(IAtom atom) {
return (this.atom == atom);
}
/**
* Clones this LonePair object, including a clone of the atom for which the
* lone pair is defined.
*
* @return The cloned object
*/
public Object clone() throws CloneNotSupportedException {
LonePair clone = (LonePair) super.clone();
// clone the Atom
if (atom != null) {
clone.atom = (IAtom)((IAtom)atom).clone();
}
return clone;
}
/**
* Returns a one line string representation of this LonePair.
* This method is conform RFC #9.
*
* @return The string representation of this LonePair
*/
public String toString() {
StringBuffer resultString = new StringBuffer();
resultString.append("LonePair(");
resultString.append(this.hashCode());
if (atom != null) {
resultString.append(", ").append(atom.toString());
}
resultString.append(')');
return resultString.toString();
}
}