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IRDFWeightFunction.java

/* $RCSfile$
 * $Author$    
 * $Date$    
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 * 
 * Copyright (C) 2005-2007  The Chemistry Development Kit (CDK) project
 * 
 * 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.
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 * You should have received a copy of the GNU Lesser General Public License
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 */
package org.openscience.cdk.geometry;

import org.openscience.cdk.interfaces.IAtom;

/**
 * Weight function used in the <code>RDFCalculator</code>.
 *
 * @cdk.module  extra
 * @cdk.githash
 *
 * @author      Egon Willighagen
 * @cdk.created 2005-01-14
 *
 * @see         org.openscience.cdk.geometry.RDFCalculator
 */
00043 public interface IRDFWeightFunction {

    /**
     * Calculates the weight for the interaction between the two atoms.
     *
     * @param atom  First atom.
     * @param atom2 Second atom.
     */
    public double calculate(IAtom atom, IAtom atom2);
    
}




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