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

using namespace std;
using namespace OpenMM;

VariableVerletIntegratorProxy::VariableVerletIntegratorProxy() : SerializationProxy("VariableVerletIntegrator") {
}

void VariableVerletIntegratorProxy::serialize(const void* object, SerializationNode& node) const {
    node.setIntProperty("version", 2);
    const VariableVerletIntegrator& integrator = *reinterpret_cast<const VariableVerletIntegrator*>(object);
    node.setDoubleProperty("errorTol", integrator.getErrorTolerance());
    node.setDoubleProperty("maxStepSize", integrator.getMaximumStepSize());
    node.setDoubleProperty("stepSize", integrator.getStepSize());
    node.setDoubleProperty("constraintTolerance", integrator.getConstraintTolerance());
    node.setIntProperty("integrationForceGroups", integrator.getIntegrationForceGroups());
}

void* VariableVerletIntegratorProxy::deserialize(const SerializationNode& node) const {
    int version = node.getIntProperty("version");
    if (version < 1 || version > 2)
        throw OpenMMException("Unsupported version number");
    VariableVerletIntegrator *integrator = new VariableVerletIntegrator(node.getDoubleProperty("errorTol"));
    integrator->setStepSize(node.getDoubleProperty("stepSize"));
    integrator->setConstraintTolerance(node.getDoubleProperty("constraintTolerance"));
    integrator->setIntegrationForceGroups(node.getIntProperty("integrationForceGroups", 0xFFFFFFFF));
    if (version > 1)
        integrator->setMaximumStepSize(node.getDoubleProperty("maxStepSize"));
    return integrator;
}