/* -------------------------------------------------------------------------- *
 *                                   OpenMM                                   *
 * -------------------------------------------------------------------------- *
 * 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) 2010 Stanford University and the Authors.           *
 * Authors: Andrew C. Simmonett, Andreas Krämer                               *
 * Contributors:                                                              *
 *                                                                            *
 * 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:       *
 *                                                                            *
 * The above copyright notice and this permission notice shall be included in *
 * all copies or substantial portions of the Software.                        *
 *                                                                            *
 * 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,    *
 * DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR      *
 * OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE  *
 * USE OR OTHER DEALINGS IN THE SOFTWARE.                                     *
 * -------------------------------------------------------------------------- */

#include "openmm/serialization/DrudeNoseHooverIntegratorProxy.h"
#include "openmm/serialization/SerializationNode.h"
#include "openmm/DrudeNoseHooverIntegrator.h"
#include <vector>
#include <assert.h>
#include <OpenMM.h>

using namespace std;
using namespace OpenMM;

DrudeNoseHooverIntegratorProxy::DrudeNoseHooverIntegratorProxy() : SerializationProxy("DrudeNoseHooverIntegrator") {

}

void DrudeNoseHooverIntegratorProxy::serialize(const void* object, SerializationNode& node) const {
    node.setIntProperty("version", 1);
    const DrudeNoseHooverIntegrator& integrator = *reinterpret_cast<const DrudeNoseHooverIntegrator*>(object);
    node.setDoubleProperty("stepSize", integrator.getStepSize());
    node.setDoubleProperty("constraintTolerance", integrator.getConstraintTolerance());
    node.setDoubleProperty("maximumPairDistance", integrator.getMaximumPairDistance());
    assert(not integrator.hasSubsystemThermostats());
    node.setDoubleProperty("temperature", integrator.getTemperature());
    node.setDoubleProperty("relativeTemperature", integrator.getRelativeTemperature());
    node.setDoubleProperty("collisionFrequency", integrator.getCollisionFrequency());
    node.setDoubleProperty("relativeCollisionFrequency", integrator.getRelativeCollisionFrequency());
    node.setIntProperty("chainLength", integrator.getNoseHooverThermostat().getDefaultChainLength());
    node.setIntProperty("numMTS", integrator.getNoseHooverThermostat().getDefaultNumMultiTimeSteps());
    node.setIntProperty("numYS", integrator.getNoseHooverThermostat().getDefaultNumYoshidaSuzukiTimeSteps());
}

void* DrudeNoseHooverIntegratorProxy::deserialize(const SerializationNode& node) const {
    if (node.getIntProperty("version") != 1)
        throw OpenMMException("Unsupported version number");
    DrudeNoseHooverIntegrator* integrator;
    integrator = new DrudeNoseHooverIntegrator(
        node.getDoubleProperty("temperature"),
        node.getDoubleProperty("collisionFrequency"),
        node.getDoubleProperty("relativeTemperature"),
        node.getDoubleProperty("relativeCollisionFrequency"),
        node.getDoubleProperty("stepSize"),
        node.getIntProperty("chainLength"),
        node.getIntProperty("numMTS"),
        node.getIntProperty("numYS")
    );
    integrator->setConstraintTolerance(node.getDoubleProperty("constraintTolerance"));
    integrator->setMaximumPairDistance(node.getDoubleProperty("maximumPairDistance"));

    return integrator;
}