/* -------------------------------------------------------------------------- * * OpenMM * * -------------------------------------------------------------------------- * * This is part of the OpenMM molecular simulation toolkit. * * See https://openmm.org/development. * * * * Portions copyright (c) 2010-2016 Stanford University and the Authors. * * Authors: Peter Eastman * * 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/MonteCarloMembraneBarostatProxy.h" #include "openmm/serialization/SerializationNode.h" #include "openmm/Force.h" #include "openmm/MonteCarloMembraneBarostat.h" #include using namespace OpenMM; using namespace std; MonteCarloMembraneBarostatProxy::MonteCarloMembraneBarostatProxy() : SerializationProxy("MonteCarloMembraneBarostat") { } void MonteCarloMembraneBarostatProxy::serialize(const void* object, SerializationNode& node) const { node.setIntProperty("version", 1); const MonteCarloMembraneBarostat& force = *reinterpret_cast(object); node.setIntProperty("forceGroup", force.getForceGroup()); node.setStringProperty("name", force.getName()); node.setDoubleProperty("pressure", force.getDefaultPressure()); node.setDoubleProperty("surfaceTension", force.getDefaultSurfaceTension()); node.setDoubleProperty("temperature", force.getDefaultTemperature()); node.setIntProperty("xymode", force.getXYMode()); node.setIntProperty("zmode", force.getZMode()); node.setIntProperty("frequency", force.getFrequency()); node.setIntProperty("randomSeed", force.getRandomNumberSeed()); } void* MonteCarloMembraneBarostatProxy::deserialize(const SerializationNode& node) const { if (node.getIntProperty("version") != 1) throw OpenMMException("Unsupported version number"); MonteCarloMembraneBarostat* force = NULL; try { MonteCarloMembraneBarostat::XYMode xymode = (MonteCarloMembraneBarostat::XYMode) node.getIntProperty("xymode"); MonteCarloMembraneBarostat::ZMode zmode = (MonteCarloMembraneBarostat::ZMode) node.getIntProperty("zmode"); force = new MonteCarloMembraneBarostat(node.getDoubleProperty("pressure"), node.getDoubleProperty("surfaceTension"), node.getDoubleProperty("temperature"), xymode, zmode, node.getIntProperty("frequency")); 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; } }