Simplification to reference platform tests

platforms/reference/tests/TestReferenceLangevinIntegrator.cpp

@@ -48,10 +48,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testSingleBond() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(2.0);
     system.addParticle(2.0);
@@ -97,7 +98,6 @@ void testSingleBond() {
 void testTemperature() {
     const int numParticles = 8;
     const double temp = 100.0;
-    ReferencePlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.01);
     NonbondedForce* forceField = new NonbondedForce();
@@ -132,7 +132,6 @@ void testTemperature() {
 void testConstraints() {
     const int numParticles = 8;
     const double temp = 100.0;
-    ReferencePlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.01);
     integrator.setConstraintTolerance(1e-5);
@@ -172,7 +171,6 @@ void testConstraints() {
 }
 
 void testConstrainedMasslessParticles() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(0.0);
     system.addParticle(1.0);
@@ -207,7 +205,6 @@ void testRandomSeed() {
     const int numParticles = 8;
     const double temp = 100.0;
     const double collisionFreq = 10.0;
-    ReferencePlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.01);
     NonbondedForce* forceField = new NonbondedForce();

platforms/reference/tests/TestReferenceLocalEnergyMinimizer.cpp

@@ -45,6 +45,8 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 void testHarmonicBonds() {
     const int numParticles = 10;
     System system;
@@ -64,7 +66,6 @@ void testHarmonicBonds() {
     // Minimize it and check that all bonds are at their equilibrium distances.
 
     VerletIntegrator integrator(0.01);
-    ReferencePlatform platform;
     Context context(system, integrator, platform);
     context.setPositions(positions);
     LocalEnergyMinimizer::minimize(context, 1e-5);
@@ -105,7 +106,6 @@ void testLargeSystem() {
 
     // Minimize it and verify that the energy has decreased.
     
-    ReferencePlatform platform;
     VerletIntegrator integrator(0.01);
     Context context(system, integrator, platform);
     context.setPositions(positions);
@@ -167,7 +167,6 @@ void testVirtualSites() {
 
     // Minimize it and verify that the energy has decreased.
     
-    ReferencePlatform platform;
     VerletIntegrator integrator(0.01);
     Context context(system, integrator, platform);
     context.setPositions(positions);

platforms/reference/tests/TestReferenceMonteCarloAnisotropicBarostat.cpp

@@ -51,6 +51,8 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 void testIdealGas() {
     const int numParticles = 64;
     const int frequency = 10;
@@ -63,7 +65,6 @@ void testIdealGas() {
     
     // Create a gas of noninteracting particles.
     
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, 0.5*initialLength, 0), Vec3(0, 0, 2*initialLength));
     vector<Vec3> positions(numParticles);
@@ -124,7 +125,6 @@ void testIdealGasAxis(int axis) {
     
     // Create a gas of noninteracting particles.
     
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, 0.5*initialLength, 0), Vec3(0, 0, 2*initialLength));
     vector<Vec3> positions(numParticles);
@@ -182,7 +182,6 @@ void testRandomSeed() {
     const int numParticles = 8;
     const double temp = 100.0;
     const double pressure = 1.5;
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(8, 0, 0), Vec3(0, 8, 0), Vec3(0, 0, 8));
     VerletIntegrator integrator(0.01);
@@ -255,7 +254,6 @@ void testTriclinic() {
 
     // Create a gas of noninteracting particles.
 
-    ReferencePlatform platform;
     System system;
     Vec3 initialBox[3];
     initialBox[0] = Vec3(initialLength, 0, 0);
@@ -347,7 +345,6 @@ void testEinsteinCrystal() {
     const double pres3[] = {2.0, 8.0, 15.0};
     const double initialVolume = numParticles*BOLTZ*temp/pressureInMD;
     const double initialLength = std::pow(initialVolume, 1.0/3.0);
-    ReferencePlatform platform;
     vector<double> initialPositions(3);
     vector<double> results;
     // Run four groups of anisotropic simulations; scaling just x, y, z, then all three.

platforms/reference/tests/TestReferenceMonteCarloBarostat.cpp

@@ -49,8 +49,9 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 void testChangingBoxSize() {
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(4, 0, 0), Vec3(0, 5, 0), Vec3(0, 0, 6));
     system.addParticle(1.0);
@@ -100,7 +101,6 @@ void testIdealGas() {
 
     // Create a gas of noninteracting particles.
 
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, 0.5*initialLength, 0), Vec3(0, 0, 2*initialLength));
     vector<Vec3> positions(numParticles);
@@ -148,7 +148,6 @@ void testRandomSeed() {
     const int numParticles = 8;
     const double temp = 100.0;
     const double pressure = 1.5;
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(8, 0, 0), Vec3(0, 8, 0), Vec3(0, 0, 8));
     VerletIntegrator integrator(0.01);

platforms/reference/tests/TestReferenceMonteCarloMembraneBarostat.cpp

@@ -49,6 +49,8 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 void testIdealGas(MonteCarloMembraneBarostat::XYMode xymode, MonteCarloMembraneBarostat::ZMode zmode) {
     const int numParticles = 64;
     const int frequency = 1;
@@ -63,7 +65,6 @@ void testIdealGas(MonteCarloMembraneBarostat::XYMode xymode, MonteCarloMembraneB
 
     // Create a gas of noninteracting particles.
 
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(initialLength, 0, 0), Vec3(0, 0.5*initialLength, 0), Vec3(0, 0, 2*initialLength));
     vector<Vec3> positions(numParticles);
@@ -121,7 +122,6 @@ void testRandomSeed() {
     const double temp = 100.0;
     const double pressure = 1.5;
     const double tension = 0.3;
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(8, 0, 0), Vec3(0, 8, 0), Vec3(0, 0, 8));
     VerletIntegrator integrator(0.01);

platforms/reference/tests/TestReferenceNonbondedForce.cpp

@@ -48,10 +48,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testCoulomb() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -76,7 +77,6 @@ void testCoulomb() {
 }
 
 void testLJ() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -103,7 +103,6 @@ void testLJ() {
 }
 
 void testExclusionsAnd14() {
-    ReferencePlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     NonbondedForce* nonbonded = new NonbondedForce();
@@ -190,7 +189,6 @@ void testExclusionsAnd14() {
 }
 
 void testCutoff() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -229,7 +227,6 @@ void testCutoff() {
 }
 
 void testCutoff14() {
-    ReferencePlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     NonbondedForce* nonbonded = new NonbondedForce();
@@ -326,7 +323,6 @@ void testCutoff14() {
 }
 
 void testPeriodic() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -363,7 +359,6 @@ void testPeriodic() {
 }
 
 void testTriclinic() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -432,7 +427,6 @@ void testDispersionCorrection() {
     int numParticles = gridSize*gridSize*gridSize;
     double boxSize = gridSize*0.7;
     double cutoff = boxSize/3;
-    ReferencePlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     NonbondedForce* nonbonded = new NonbondedForce();
@@ -496,7 +490,6 @@ void testDispersionCorrection() {
 }
 
 void testSwitchingFunction(NonbondedForce::NonbondedMethod method) {
-    ReferencePlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(6, 0, 0), Vec3(0, 6, 0), Vec3(0, 0, 6));
     system.addParticle(1.0);

platforms/reference/tests/TestReferencePeriodicTorsionForce.cpp

@@ -46,10 +46,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testPeriodicTorsions() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);

platforms/reference/tests/TestReferenceRBTorsionForce.cpp

@@ -46,10 +46,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testRBTorsions() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);

platforms/reference/tests/TestReferenceRandom.cpp

@@ -43,6 +43,8 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 void testGaussian() {
     const int numValues = 10000000;
     double mean = 0.0;
@@ -74,7 +76,6 @@ void testRandomVelocities() {
     
     const int numParticles = 10000;
     const double temperture = 100.0;
-    ReferencePlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     for (int i = 0; i < numParticles; ++i)

platforms/reference/tests/TestReferenceSettle.cpp

@@ -47,12 +47,13 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 void testConstraints() {
     const int numMolecules = 10;
     const int numParticles = numMolecules*3;
     const int numConstraints = numMolecules*3;
     const double temp = 100.0;
-    ReferencePlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.001);
     integrator.setConstraintTolerance(1e-5);

platforms/reference/tests/TestReferenceVariableLangevinIntegrator.cpp

@@ -48,10 +48,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testSingleBond() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(2.0);
     system.addParticle(2.0);
@@ -97,7 +98,6 @@ void testSingleBond() {
 void testTemperature() {
     const int numParticles = 8;
     const double temp = 100.0;
-    ReferencePlatform platform;
     System system;
     VariableLangevinIntegrator integrator(temp, 5.0, 5e-5);
     NonbondedForce* forceField = new NonbondedForce();
@@ -133,7 +133,6 @@ void testTemperature() {
 void testConstraints() {
     const int numParticles = 8;
     const double temp = 100.0;
-    ReferencePlatform platform;
     System system;
     VariableLangevinIntegrator integrator(temp, 2.0, 1e-5);
     integrator.setConstraintTolerance(1e-5);
@@ -174,7 +173,6 @@ void testConstraints() {
 }
 
 void testConstrainedMasslessParticles() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(0.0);
     system.addParticle(1.0);
@@ -208,7 +206,6 @@ void testConstrainedMasslessParticles() {
 void testRandomSeed() {
     const int numParticles = 8;
     const double temp = 100.0;
-    ReferencePlatform platform;
     System system;
     VariableLangevinIntegrator integrator(temp, 2.0, 1e-5);
     NonbondedForce* forceField = new NonbondedForce();
@@ -276,7 +273,6 @@ void testArgonBox() {
 
     // Create a box of argon atoms.
     
-    ReferencePlatform platform;
     System system;
     NonbondedForce* nonbonded = new NonbondedForce();
     vector<Vec3> positions;

platforms/reference/tests/TestReferenceVariableVerletIntegrator.cpp

@@ -48,10 +48,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testSingleBond() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(2.0);
     system.addParticle(2.0);
@@ -89,7 +90,6 @@ void testSingleBond() {
 void testConstraints() {
     const int numParticles = 8;
     const double temp = 500.0;
-    ReferencePlatform platform;
     System system;
     VariableVerletIntegrator integrator(1e-5);
     integrator.setConstraintTolerance(1e-5);
@@ -148,7 +148,6 @@ void testConstraints() {
 void testConstrainedClusters() {
     const int numParticles = 7;
     const double temp = 500.0;
-    ReferencePlatform platform;
     System system;
     VariableVerletIntegrator integrator(1e-5);
     integrator.setConstraintTolerance(1e-5);
@@ -211,7 +210,6 @@ void testConstrainedClusters() {
 }
 
 void testConstrainedMasslessParticles() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(0.0);
     system.addParticle(1.0);
@@ -255,7 +253,6 @@ void testArgonBox() {
 
     // Create a box of argon atoms.
     
-    ReferencePlatform platform;
     System system;
     NonbondedForce* nonbonded = new NonbondedForce();
     vector<Vec3> positions;

platforms/reference/tests/TestReferenceVerletIntegrator.cpp

@@ -48,10 +48,11 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 const double TOL = 1e-5;
 
 void testSingleBond() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(2.0);
     system.addParticle(2.0);
@@ -88,7 +89,6 @@ void testSingleBond() {
 void testConstraints() {
     const int numParticles = 8;
     const double temp = 500.0;
-    ReferencePlatform platform;
     System system;
     VerletIntegrator integrator(0.002);
     integrator.setConstraintTolerance(1e-5);
@@ -139,7 +139,6 @@ void testConstraints() {
 void testConstrainedClusters() {
     const int numParticles = 7;
     const double temp = 500.0;
-    ReferencePlatform platform;
     System system;
     VerletIntegrator integrator(0.001);
     integrator.setConstraintTolerance(1e-5);
@@ -201,7 +200,6 @@ void testConstrainedClusters() {
 }
 
 void testConstrainedMasslessParticles() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(0.0);
     system.addParticle(1.0);

platforms/reference/tests/TestReferenceVirtualSites.cpp

@@ -50,11 +50,12 @@
 using namespace OpenMM;
 using namespace std;
 
+ReferencePlatform platform;
+
 /**
  * Check that massless particles are handled correctly.
  */
 void testMasslessParticle() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(0.0);
     system.addParticle(1.0);
@@ -91,7 +92,6 @@ void testMasslessParticle() {
  * Test a TwoParticleAverageSite virtual site.
  */
 void testTwoParticleAverage() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -128,7 +128,6 @@ void testTwoParticleAverage() {
  * Test a ThreeParticleAverageSite virtual site.
  */
 void testThreeParticleAverage() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -170,7 +169,6 @@ void testThreeParticleAverage() {
  * Test an OutOfPlaneSite virtual site.
  */
 void testOutOfPlane() {
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -223,7 +221,6 @@ void testLocalCoordinates() {
     const Vec3 xWeights(-1.0, 0.5, 0.5);
     const Vec3 yWeights(0.0, -1.0, 1.0);
     const Vec3 localPosition(0.4, 0.3, 0.2);
-    ReferencePlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -299,7 +296,6 @@ void testLocalCoordinates() {
  * when using virtual sites.
  */
 void testConservationLaws() {
-    ReferencePlatform platform;
     System system;
     NonbondedForce* forceField = new NonbondedForce();
     system.addForce(forceField);