/* -------------------------------------------------------------------------- * * 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 "../../../tests/AssertionUtilities.h" #include "openmm/HarmonicBondForce.h" #include "openmm/System.h" #include "openmm/serialization/XmlSerializer.h" #include #include using namespace OpenMM; using namespace std; void testSerialization() { // Create a System. System system; for (int i = 0; i < 5; i++) system.addParticle(0.1*i+1); system.addConstraint(0, 1, 3.0); system.addConstraint(1, 2, 2.5); system.addConstraint(4, 1, 1.001); system.setDefaultPeriodicBoxVectors(Vec3(5, 0, 0), Vec3(0, 4, 0), Vec3(0, 0, 1.5)); system.addForce(new HarmonicBondForce()); // Serialize and then deserialize it. stringstream buffer; XmlSerializer::serialize(&system, "System", buffer); System* copy = XmlSerializer::deserialize(buffer); // Compare the two systems to see if they are identical. System& system2 = *copy; ASSERT_EQUAL(system.getNumParticles(), system2.getNumParticles()); for (int i = 0; i < system.getNumParticles(); i++) ASSERT_EQUAL(system.getParticleMass(i), system2.getParticleMass(i)); ASSERT_EQUAL(system.getNumConstraints(), system2.getNumConstraints()); for (int i = 0; i < system.getNumConstraints(); i++) { int p1, p2, p3, p4; double d1, d2; system.getConstraintParameters(i, p1, p2, d1); system2.getConstraintParameters(i, p3, p4, d2); ASSERT_EQUAL(p1, p3); ASSERT_EQUAL(p2, p4); ASSERT_EQUAL(d1, d2); } Vec3 a, b, c; Vec3 a2, b2, c2; system.getDefaultPeriodicBoxVectors(a, b, c); system2.getDefaultPeriodicBoxVectors(a2, b2, c2); ASSERT_EQUAL_VEC(a, a2, 0); ASSERT_EQUAL_VEC(b, b2, 0); ASSERT_EQUAL_VEC(c, c2, 0); ASSERT_EQUAL(system.getNumForces(), system2.getNumForces()); for (int i = 0; i < system.getNumForces(); i++) ASSERT(typeid(system.getForce(i)) == typeid(system2.getForce(i))) } int main() { try { testSerialization(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }