MonteCarloBarostatProxy.cpp

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 * This is part of the OpenMM molecular simulation toolkit.                   *
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 * Authors: Peter Eastman                                                     *
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#include "openmm/serialization/MonteCarloBarostatProxy.h"
#include "openmm/serialization/SerializationNode.h"
#include "openmm/Force.h"
#include "openmm/MonteCarloBarostat.h"
#include <sstream>

using namespace OpenMM;
using namespace std;

MonteCarloBarostatProxy::MonteCarloBarostatProxy() : SerializationProxy("MonteCarloBarostat") {
}

void MonteCarloBarostatProxy::serialize(const void* object, SerializationNode& node) const {
    node.setIntProperty("version", 1);
    const MonteCarloBarostat& force = *reinterpret_cast<const MonteCarloBarostat*>(object);
    node.setIntProperty("forceGroup", force.getForceGroup());
    node.setStringProperty("name", force.getName());
    node.setDoubleProperty("pressure", force.getDefaultPressure());
    node.setDoubleProperty("temperature", force.getDefaultTemperature());
    node.setIntProperty("frequency", force.getFrequency());
    node.setIntProperty("randomSeed", force.getRandomNumberSeed());
    node.setBoolProperty("rigidScaling", force.getScaleMoleculesAsRigid());
}

void* MonteCarloBarostatProxy::deserialize(const SerializationNode& node) const {
    if (node.getIntProperty("version") != 1)
        throw OpenMMException("Unsupported version number");
    MonteCarloBarostat* force = NULL;
    try {
        force = new MonteCarloBarostat(node.getDoubleProperty("pressure"), node.getDoubleProperty("temperature"), node.getIntProperty("frequency"),
                                       node.getBoolProperty("rigidScaling", true));
        force->setForceGroup(node.getIntProperty("forceGroup", 0));
        force->setName(node.getStringProperty("name", force->getName()));
        force->setRandomNumberSeed(node.getIntProperty("randomSeed"));
        return force;
    }
    catch (...) {
        if (force != NULL)
            delete force;
        throw;
    }
}