AndersenThermostatProxy.cpp

/* -------------------------------------------------------------------------- *
 *                                   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: Peter Eastman                                                     *
 * Contributors:                                                              *
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#include "openmm/serialization/AndersenThermostatProxy.h"
#include "openmm/serialization/SerializationNode.h"
#include "openmm/Force.h"
#include "openmm/AndersenThermostat.h"
#include <sstream>

using namespace OpenMM;
using namespace std;

AndersenThermostatProxy::AndersenThermostatProxy() : SerializationProxy("AndersenThermostat") {
}

void AndersenThermostatProxy::serialize(const void* object, SerializationNode& node) const {
    node.setIntProperty("version", 1);
    const AndersenThermostat& force = *reinterpret_cast<const AndersenThermostat*>(object);
    node.setDoubleProperty("temperature", force.getDefaultTemperature());
    node.setDoubleProperty("frequency", force.getDefaultCollisionFrequency());
    node.setIntProperty("randomSeed", force.getRandomNumberSeed());
}

void* AndersenThermostatProxy::deserialize(const SerializationNode& node) const {
    if (node.getIntProperty("version") != 1)
        throw OpenMMException("Unsupported version number");
    AndersenThermostat* force = NULL;
    try {
        AndersenThermostat* force = new AndersenThermostat(node.getDoubleProperty("temperature"), node.getDoubleProperty("frequency"));
        force->setRandomNumberSeed(node.getIntProperty("randomSeed"));
        return force;
    }
    catch (...) {
        if (force != NULL)
            delete force;
        throw;
    }
}