/* -------------------------------------------------------------------------- * * OpenMM * * -------------------------------------------------------------------------- * * This is part of the OpenMM molecular simulation toolkit. * * See https://openmm.org/development. * * * * Portions copyright (c) 2025 Stanford University and the Authors. * * Authors: Peter Eastman, Evan Pretti * * 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/LCPOForce.h" #include "openmm/serialization/XmlSerializer.h" #include #include using namespace OpenMM; using namespace std; void testSerialization() { // Create a Force. LCPOForce force; force.setForceGroup(3); force.setName("custom name"); force.setUsesPeriodicBoundaryConditions(true); force.setSurfaceTension(100.0); force.addParticle(1.0, 2.0, 3.0, 4.0, 5.0); force.addParticle(0.0, 0.0, 0.0, 0.0, 0.0); force.addParticle(6.0, 7.0, 8.0, 9.0, 10.0); force.addParticle(1.0, 2.0, 3.0, 4.0, 5.0); force.addParticle(0.0, 0.0, 0.0, 0.0, 0.0); force.addParticle(6.0, 7.0, 8.0, 9.0, 10.0); // Serialize and then deserialize it. stringstream buffer; XmlSerializer::serialize(&force, "Force", buffer); LCPOForce* copy = XmlSerializer::deserialize(buffer); // Compare the two forces to see if they are identical. LCPOForce& force2 = *copy; ASSERT_EQUAL(force.getForceGroup(), force2.getForceGroup()); ASSERT_EQUAL(force.getName(), force2.getName()); ASSERT_EQUAL(force.usesPeriodicBoundaryConditions(), force2.usesPeriodicBoundaryConditions()); ASSERT_EQUAL(force.getSurfaceTension(), force2.getSurfaceTension()); ASSERT_EQUAL(force.getNumParticles(), force2.getNumParticles()); for (int i = 0; i < force.getNumParticles(); i++) { double radius1, radius2, p11, p12, p21, p22, p31, p32, p41, p42; force.getParticleParameters(i, radius1, p11, p21, p31, p41); force2.getParticleParameters(i, radius2, p12, p22, p32, p42); ASSERT_EQUAL(radius1, radius2); ASSERT_EQUAL(p11, p12); ASSERT_EQUAL(p21, p22); ASSERT_EQUAL(p31, p32); ASSERT_EQUAL(p41, p42); } } int main() { try { testSerialization(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }