irdfweightfunction.java

化学图形处理软件

/* $RCSfile$
 * $Author: egonw $    
 * $Date: 2007-01-04 18:46:10 +0100 (Thu, 04 Jan 2007) $    
 * $Revision: 7636 $
 * 
 * Copyright (C) 2005-2007  The Chemistry Development Kit (CDK) project
 * 
 * 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.
 * 
 * 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.geometry;

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

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