/* -------------------------------------------------------------------------- * * OpenMM * * -------------------------------------------------------------------------- * * 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) 2010 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/internal/AssertionUtilities.h" #include "openmm/LangevinIntegrator.h" #include "openmm/VerletIntegrator.h" #include "openmm/serialization/XmlSerializer.h" #include #include #include #include using namespace OpenMM; using namespace std; void testSerialization() { { VerletIntegrator *vInt = new VerletIntegrator(0.00342); stringstream ss; XmlSerializer::serialize(vInt, "VerletIntegrator", ss); VerletIntegrator *vInt2 = dynamic_cast(XmlSerializer::deserialize(ss)); ASSERT_EQUAL(vInt->getConstraintTolerance(), vInt2->getConstraintTolerance()); ASSERT_EQUAL(vInt->getStepSize(), vInt2->getStepSize()); delete vInt; delete vInt2; } { LangevinIntegrator *lInt = new LangevinIntegrator(372.4, 1.234, 0.0018); stringstream ss; XmlSerializer::serialize(lInt, "LangevinIntegrator", ss); LangevinIntegrator *lInt2 = dynamic_cast(XmlSerializer::deserialize(ss)); ASSERT_EQUAL(lInt->getConstraintTolerance(), lInt2->getConstraintTolerance()); ASSERT_EQUAL(lInt->getStepSize(), lInt2->getStepSize()); ASSERT_EQUAL(lInt->getTemperature(), lInt2->getTemperature()); ASSERT_EQUAL(lInt->getFriction(), lInt2->getFriction()); delete lInt; delete lInt2; } } int main() { try { testSerialization(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }