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IElectronicPropertyCalculator.java

/* $Revision: 10248 $ $Author: egonw $ $Date: 2008-02-26 11:12:38 +0100 (Tue, 26 Feb 2008) $
 *
 * Copyright (C) 2008  Egon Willighagen <egonw@users.sf.net>
 *
 * Contact: cdk-devel@list.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.charges;

import org.openscience.cdk.exception.CDKException;
import org.openscience.cdk.interfaces.IAtomContainer;

/**
 * Interface for classes that calculate (partial) charges centered
 * on atom nuclei.
 * 
 * @author      egonw
 * @cdk.module  charges
 * @cdk.githash
 */
00034 public interface IElectronicPropertyCalculator {

      public void calculateCharges(IAtomContainer container) throws CDKException;
      
}

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