From: Egon W. <eg...@us...> - 2005-01-14 13:09:45
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/geometry In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv29107/src/org/openscience/cdk/geometry Added Files: RDFWeightFunction.java Log Message: Added weight feature to RDF calculator --- NEW FILE: RDFWeightFunction.java --- /* $RCSfile: RDFWeightFunction.java,v $ * $Author: egonw $ * $Date: 2005/01/14 13:09:29 $ * $Revision: 1.1 $ * * Copyright (C) 2005 The Chemistry Development Kit (CDK) project * * Contact: cdk...@li... * * 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., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. */ package org.openscience.cdk.geometry; import java.awt.Dimension; import java.util.Vector; import javax.vecmath.Point2d; import javax.vecmath.Point3d; import javax.vecmath.Vector2d; import org.openscience.cdk.*; import org.openscience.cdk.tools.LoggingTool; /** * 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 RDFWeightFunction { /** * Calculates the wieght for the interaction between the two atoms. * * @param atom First atom. * @param atom2 Second atom. */ public double calculate(Atom atom, Atom atom2); } |