LangevinMiddleIntegratorProxy.cpp

/* -------------------------------------------------------------------------- *
 *                                   OpenMM                                   *
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 * 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.               *
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 * Authors: Peter Eastman, Yutong Zhao                                        *
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#include "openmm/serialization/LangevinMiddleIntegratorProxy.h"
#include <OpenMM.h>

using namespace std;
using namespace OpenMM;

LangevinMiddleIntegratorProxy::LangevinMiddleIntegratorProxy() : SerializationProxy("LangevinMiddleIntegrator") {

}

void LangevinMiddleIntegratorProxy::serialize(const void* object, SerializationNode& node) const {
    node.setIntProperty("version", 1);
    const LangevinMiddleIntegrator& integrator = *reinterpret_cast<const LangevinMiddleIntegrator*>(object);
    node.setDoubleProperty("stepSize", integrator.getStepSize());
    node.setDoubleProperty("constraintTolerance", integrator.getConstraintTolerance());
    node.setDoubleProperty("temperature", integrator.getTemperature());
    node.setDoubleProperty("friction", integrator.getFriction());
    node.setIntProperty("randomSeed", integrator.getRandomNumberSeed());
}

void* LangevinMiddleIntegratorProxy::deserialize(const SerializationNode& node) const {
    if (node.getIntProperty("version") != 1)
        throw OpenMMException("Unsupported version number");
    LangevinMiddleIntegrator *integrator = new LangevinMiddleIntegrator(node.getDoubleProperty("temperature"),
            node.getDoubleProperty("friction"), node.getDoubleProperty("stepSize"));
    integrator->setConstraintTolerance(node.getDoubleProperty("constraintTolerance"));
    integrator->setRandomNumberSeed(node.getIntProperty("randomSeed"));
    return integrator;
}