/* -------------------------------------------------------------------------- * * OpenMMDrude * * -------------------------------------------------------------------------- * * 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) 2013 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/Platform.h" #include "openmm/internal/AssertionUtilities.h" #include "openmm/DrudeLangevinIntegrator.h" #include "openmm/serialization/XmlSerializer.h" #include #include using namespace OpenMM; using namespace std; extern "C" void registerDrudeSerializationProxies(); void testSerialization() { // Create an Integrator. DrudeLangevinIntegrator integ1(301.1, 0.95, 10.5, 1.2, 0.001); integ1.setRandomNumberSeed(18); // Serialize and then deserialize it. stringstream buffer; XmlSerializer::serialize(&integ1, "Integrator", buffer); DrudeLangevinIntegrator* copy = XmlSerializer::deserialize(buffer); // Compare the two integrators to see if they are identical. DrudeLangevinIntegrator& integ2 = *copy; ASSERT_EQUAL(integ1.getTemperature(), integ2.getTemperature()); ASSERT_EQUAL(integ1.getFriction(), integ2.getFriction()); ASSERT_EQUAL(integ1.getDrudeTemperature(), integ2.getDrudeTemperature()); ASSERT_EQUAL(integ1.getDrudeFriction(), integ2.getDrudeFriction()); ASSERT_EQUAL(integ1.getRandomNumberSeed(), integ2.getRandomNumberSeed()); } int main() { try { registerDrudeSerializationProxies(); testSerialization(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }