/* -------------------------------------------------------------------------- *
 *                                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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 * 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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 * -------------------------------------------------------------------------- */

#include "openmm/Force.h"
#include "openmm/OpenMMException.h"
#include "openmm/AmoebaUreyBradleyForce.h"
#include "openmm/internal/AmoebaUreyBradleyForceImpl.h"

using namespace OpenMM;

AmoebaUreyBradleyForce::AmoebaUreyBradleyForce() {
   _globalCubicK = _globalQuarticK = 0.0;
}

int AmoebaUreyBradleyForce::addUreyBradley(int particle1, int particle2, double length, double quadraticK) {
    bonds.push_back(UreyBradleyInfo(particle1, particle2, length, quadraticK ));
    return bonds.size()-1;
}

void AmoebaUreyBradleyForce::getUreyBradleyParameters(int index, int& particle1, int& particle2, double& length, double&  quadraticK ) const {
    particle1       = bonds[index].particle1;
    particle2       = bonds[index].particle2;
    length          = bonds[index].length;
    quadraticK      = bonds[index].quadraticK;
}

void AmoebaUreyBradleyForce::setUreyBradleyParameters(int index, int particle1, int particle2, double length, double quadraticK ) {
    bonds[index].particle1  = particle1;
    bonds[index].particle2  = particle2;
    bonds[index].length     = length;
    bonds[index].quadraticK = quadraticK;
}

void AmoebaUreyBradleyForce::setAmoebaGlobalUreyBradleyCubic(double cubicK ) {
    _globalCubicK           = cubicK;
}

void AmoebaUreyBradleyForce::setAmoebaGlobalUreyBradleyQuartic(double quarticK ) {
    _globalQuarticK         = quarticK;
}

double AmoebaUreyBradleyForce::getAmoebaGlobalUreyBradleyCubic( void ) const {
    return _globalCubicK;
}

double AmoebaUreyBradleyForce::getAmoebaGlobalUreyBradleyQuartic( void ) const {
    return _globalQuarticK;
}

ForceImpl* AmoebaUreyBradleyForce::createImpl() {
    return new AmoebaUreyBradleyForceImpl(*this);
}
