/* -------------------------------------------------------------------------- *
 *                                OpenMMAmoeba                                *
 * -------------------------------------------------------------------------- *
 * This is part of the OpenMM molecular simulation toolkit originating from   *
 * Simbios, the NIH National Center for Physics-Based Simulation of           *
 * Biological Structures at Stanford, funded under the NIH Roadmap for        *
 * Medical Research, grant U54 GM072970. See https://simtk.org.               *
 *                                                                            *
 * Portions copyright (c) 2008-2009 Stanford University and the Authors.      *
 * Authors:                                                                   *
 * Contributors:                                                              *
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 * Permission is hereby granted, free of charge, to any person obtaining a    *
 * copy of this software and associated documentation files (the "Software"), *
 * to deal in the Software without restriction, including without limitation  *
 * the rights to use, copy, modify, merge, publish, distribute, sublicense,   *
 * and/or sell copies of the Software, and to permit persons to whom the      *
 * Software is furnished to do so, subject to the following conditions:       *
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 * The above copyright notice and this permission notice shall be included in *
 * all copies or substantial portions of the Software.                        *
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 * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
 * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,   *
 * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL    *
 * THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM,    *
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 * USE OR OTHER DEALINGS IN THE SOFTWARE.                                     *
 * -------------------------------------------------------------------------- */

#include "openmm/Force.h"
#include "openmm/OpenMMException.h"
#include "openmm/AmoebaStretchBendForce.h"
#include "openmm/internal/AmoebaStretchBendForceImpl.h"

using namespace OpenMM;

AmoebaStretchBendForce::AmoebaStretchBendForce() {
}

int AmoebaStretchBendForce::addStretchBend(int particle1, int particle2, int particle3,
                                           double lengthAB,  double lengthCB, double angle, double k) {
    stretchBends.push_back(StretchBendInfo(particle1, particle2, particle3, lengthAB,  lengthCB, angle, k));
    return stretchBends.size()-1;
}

void AmoebaStretchBendForce::getStretchBendParameters(int index, int& particle1, int& particle2, int& particle3,
                                                      double& lengthAB, double& lengthCB, double& angle, double& k ) const {
    particle1       = stretchBends[index].particle1;
    particle2       = stretchBends[index].particle2;
    particle3       = stretchBends[index].particle3;
    lengthAB        = stretchBends[index].lengthAB;
    lengthCB        = stretchBends[index].lengthCB;
    angle           = stretchBends[index].angle;
    k               = stretchBends[index].k;
}

void AmoebaStretchBendForce::setStretchBendParameters(int index, int particle1, int particle2, int particle3, 
                                                      double lengthAB,  double lengthCB, double angle, double k) {
    stretchBends[index].particle1  = particle1;
    stretchBends[index].particle2  = particle2;
    stretchBends[index].particle3  = particle3;
    stretchBends[index].lengthAB   = lengthAB;
    stretchBends[index].lengthCB   = lengthCB;
    stretchBends[index].angle      = angle;
    stretchBends[index].k          = k;
}

ForceImpl* AmoebaStretchBendForce::createImpl() {
    return new AmoebaStretchBendForceImpl(*this);
}