Continuing to refactor tests

platforms/opencl/tests/TestOpenCLSettle.cpp

-
 /* -------------------------------------------------------------------------- *
  *                                   OpenMM                                   *
  * -------------------------------------------------------------------------- *
@@ -7,7 +6,7 @@
  * Biological Structures at Stanford, funded under the NIH Roadmap for        *
  * Medical Research, grant U54 GM072970. See https://simtk.org.               *
  *                                                                            *
- * Portions copyright (c) 2008-2009 Stanford University and the Authors.      *
+ * Portions copyright (c) 2015 Stanford University and the Authors.           *
  * Authors: Peter Eastman                                                     *
  * Contributors:                                                              *
  *                                                                            *
@@ -30,90 +29,8 @@
  * USE OR OTHER DEALINGS IN THE SOFTWARE.                                     *
  * -------------------------------------------------------------------------- */
 
-/**
- * This tests the OpenCL implementation of the SETTLE algorithm.
- */
-
-#include "openmm/internal/AssertionUtilities.h"
-#include "openmm/Context.h"
-#include "OpenCLPlatform.h"
-#include "openmm/NonbondedForce.h"
-#include "openmm/System.h"
-#include "openmm/LangevinIntegrator.h"
-#include "sfmt/SFMT.h"
-#include <iostream>
-#include <vector>
-
-using namespace OpenMM;
-using namespace std;
-
-static OpenCLPlatform platform;
-
-void testConstraints() {
-    const int numMolecules = 10;
-    const int numParticles = numMolecules*3;
-    const int numConstraints = numMolecules*3;
-    const double temp = 100.0;
-    System system;
-    LangevinIntegrator integrator(temp, 2.0, 0.001);
-    integrator.setConstraintTolerance(1e-5);
-    NonbondedForce* forceField = new NonbondedForce();
-    for (int i = 0; i < numMolecules; ++i) {
-        system.addParticle(16.0);
-        system.addParticle(1.0);
-        system.addParticle(1.0);
-        forceField->addParticle(-0.82, 0.317, 0.65);
-        forceField->addParticle(0.41, 1.0, 0.0);
-        forceField->addParticle(0.41, 1.0, 0.0);
-        system.addConstraint(i*3, i*3+1, 0.1);
-        system.addConstraint(i*3, i*3+2, 0.1);
-        system.addConstraint(i*3+1, i*3+2, 0.163);
-    }
-    system.addForce(forceField);
-    Context context(system, integrator, platform);
-    vector<Vec3> positions(numParticles);
-    vector<Vec3> velocities(numParticles);
-    OpenMM_SFMT::SFMT sfmt;
-    init_gen_rand(0, sfmt);
-
-    for (int i = 0; i < numMolecules; ++i) {
-        positions[i*3] = Vec3((i%4)*0.4, (i/4)*0.4, 0);
-        positions[i*3+1] = positions[i*3]+Vec3(0.1, 0, 0);
-        positions[i*3+2] = positions[i*3]+Vec3(-0.03333, 0.09428, 0);
-        velocities[i*3] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
-        velocities[i*3+1] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
-        velocities[i*3+2] = Vec3(genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5, genrand_real2(sfmt)-0.5);
-    }
-    context.setPositions(positions);
-    context.setVelocities(velocities);
-
-    // Simulate it and see whether the constraints remain satisfied.
-
-    for (int i = 0; i < 1000; ++i) {
-        integrator.step(1);
-        State state = context.getState(State::Positions | State::Forces);
-        for (int j = 0; j < numConstraints; ++j) {
-            int particle1, particle2;
-            double distance;
-            system.getConstraintParameters(j, particle1, particle2, distance);
-            Vec3 p1 = state.getPositions()[particle1];
-            Vec3 p2 = state.getPositions()[particle2];
-            double dist = std::sqrt((p1[0]-p2[0])*(p1[0]-p2[0])+(p1[1]-p2[1])*(p1[1]-p2[1])+(p1[2]-p2[2])*(p1[2]-p2[2]));
-            ASSERT_EQUAL_TOL(distance, dist, 1e-5);
-        }
-    }
-}
+#include "OpenCLTests.h"
+#include "TestSettle.h"
 
-int main(int argc, char* argv[]) {
-    try {
-        if (argc > 1)
-            platform.setPropertyDefaultValue("OpenCLPrecision", string(argv[1]));
-        testConstraints();
-    }
-    catch(const exception& e) {
-        cout << "exception: " << e.what() << endl;
-        return 1;
-    }
-    cout << "Done" << endl;
-    return 0;
+void runPlatformTests() {
 }