/* $RCSfile$
* $Author$
* $Date$
* $Revision$
*
* Copyright (C) 2006-2007 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.interfaces;
/**
* A Single Electron is an orbital which is occupied by only one electron.
* A radical in CDK is represented by an AtomContainer that contains an Atom
* and a SingleElectron type ElectronContainer:
* <pre>
* AtomContainer radical = new AtomContainer();
* Atom carbon = new Atom("C");
* carbon.setImplicitHydrogens(3);
* radical.addElectronContainer(new SingleElectron(carbon));
* </pre>
*
* @cdk.module interfaces
* @cdk.githash
*
* @cdk.keyword radical
* @cdk.keyword electron, unpaired
*/
public interface ISingleElectron extends IElectronContainer {
/**
* Returns the associated Atom.
*
* @return the associated Atom.
* @see #setAtom
*/
public IAtom getAtom();
/**
* Sets the associated Atom.
*
* @param atom the Atom this SingleElectron will be associated with
* @see #getAtom
*/
public void setAtom(IAtom atom);
/**
* Returns true if the given atom participates in this SingleElectron.
*
* @param atom The atom to be tested if it participates in this bond
* @return true if this SingleElectron is associated with the atom
*/
public boolean contains(IAtom atom);
}