Commit c7f629ac authored by peastman's avatar peastman
Browse files

Made test cases more robust

parent 6a38039f
...@@ -592,9 +592,9 @@ void testCentralParticleModeNoCutoff() { ...@@ -592,9 +592,9 @@ void testCentralParticleModeNoCutoff() {
force->addParticle(params); force->addParticle(params);
vector<Vec3> positions; vector<Vec3> positions;
positions.push_back(Vec3(0, 0, 0)); positions.push_back(Vec3(0, 0, 0));
positions.push_back(Vec3(1, 0, 0)); positions.push_back(Vec3(0.1, 0, 0));
positions.push_back(Vec3(0, 1.1, 0.3)); positions.push_back(Vec3(0, 0.11, 0.03));
positions.push_back(Vec3(0.4, 0, -0.8)); positions.push_back(Vec3(0.04, 0, -0.08));
int sets[12][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {2,0,3}, {2, 1, 3}, {3,0,1}, {3,0,2}, {3,1,2}}; int sets[12][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {2,0,3}, {2, 1, 3}, {3,0,1}, {3,0,2}, {3,1,2}};
vector<const int*> expectedSets(&sets[0], &sets[12]); vector<const int*> expectedSets(&sets[0], &sets[12]);
validateStillingerWeber(force, positions, expectedSets, 2.0); validateStillingerWeber(force, positions, expectedSets, 2.0);
...@@ -611,7 +611,7 @@ void testCentralParticleModeCutoff() { ...@@ -611,7 +611,7 @@ void testCentralParticleModeCutoff() {
force->addGlobalParameter("sigma", 0.23925); force->addGlobalParameter("sigma", 0.23925);
force->addGlobalParameter("gamma", 1.2); force->addGlobalParameter("gamma", 1.2);
force->setNonbondedMethod(CustomManyParticleForce::CutoffNonPeriodic); force->setNonbondedMethod(CustomManyParticleForce::CutoffNonPeriodic);
force->setCutoffDistance(1.55); force->setCutoffDistance(0.155);
vector<double> params; vector<double> params;
force->addParticle(params); force->addParticle(params);
force->addParticle(params); force->addParticle(params);
...@@ -619,9 +619,9 @@ void testCentralParticleModeCutoff() { ...@@ -619,9 +619,9 @@ void testCentralParticleModeCutoff() {
force->addParticle(params); force->addParticle(params);
vector<Vec3> positions; vector<Vec3> positions;
positions.push_back(Vec3(0, 0, 0)); positions.push_back(Vec3(0, 0, 0));
positions.push_back(Vec3(1, 0, 0)); positions.push_back(Vec3(0.1, 0, 0));
positions.push_back(Vec3(0, 1.1, 0.3)); positions.push_back(Vec3(0, 0.11, 0.03));
positions.push_back(Vec3(0.4, 0, -0.8)); positions.push_back(Vec3(0.04, 0, -0.08));
int sets[8][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {3,0,1}}; int sets[8][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {3,0,1}};
vector<const int*> expectedSets(&sets[0], &sets[8]); vector<const int*> expectedSets(&sets[0], &sets[8]);
validateStillingerWeber(force, positions, expectedSets, 2.0); validateStillingerWeber(force, positions, expectedSets, 2.0);
......
...@@ -587,9 +587,9 @@ void testCentralParticleModeNoCutoff() { ...@@ -587,9 +587,9 @@ void testCentralParticleModeNoCutoff() {
force->addParticle(params); force->addParticle(params);
vector<Vec3> positions; vector<Vec3> positions;
positions.push_back(Vec3(0, 0, 0)); positions.push_back(Vec3(0, 0, 0));
positions.push_back(Vec3(1, 0, 0)); positions.push_back(Vec3(0.1, 0, 0));
positions.push_back(Vec3(0, 1.1, 0.3)); positions.push_back(Vec3(0, 0.11, 0.03));
positions.push_back(Vec3(0.4, 0, -0.8)); positions.push_back(Vec3(0.04, 0, -0.08));
int sets[12][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {2,0,3}, {2, 1, 3}, {3,0,1}, {3,0,2}, {3,1,2}}; int sets[12][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {2,0,3}, {2, 1, 3}, {3,0,1}, {3,0,2}, {3,1,2}};
vector<const int*> expectedSets(&sets[0], &sets[12]); vector<const int*> expectedSets(&sets[0], &sets[12]);
validateStillingerWeber(force, positions, expectedSets, 2.0); validateStillingerWeber(force, positions, expectedSets, 2.0);
...@@ -606,7 +606,7 @@ void testCentralParticleModeCutoff() { ...@@ -606,7 +606,7 @@ void testCentralParticleModeCutoff() {
force->addGlobalParameter("sigma", 0.23925); force->addGlobalParameter("sigma", 0.23925);
force->addGlobalParameter("gamma", 1.2); force->addGlobalParameter("gamma", 1.2);
force->setNonbondedMethod(CustomManyParticleForce::CutoffNonPeriodic); force->setNonbondedMethod(CustomManyParticleForce::CutoffNonPeriodic);
force->setCutoffDistance(1.55); force->setCutoffDistance(0.155);
vector<double> params; vector<double> params;
force->addParticle(params); force->addParticle(params);
force->addParticle(params); force->addParticle(params);
...@@ -614,9 +614,9 @@ void testCentralParticleModeCutoff() { ...@@ -614,9 +614,9 @@ void testCentralParticleModeCutoff() {
force->addParticle(params); force->addParticle(params);
vector<Vec3> positions; vector<Vec3> positions;
positions.push_back(Vec3(0, 0, 0)); positions.push_back(Vec3(0, 0, 0));
positions.push_back(Vec3(1, 0, 0)); positions.push_back(Vec3(0.1, 0, 0));
positions.push_back(Vec3(0, 1.1, 0.3)); positions.push_back(Vec3(0, 0.11, 0.03));
positions.push_back(Vec3(0.4, 0, -0.8)); positions.push_back(Vec3(0.04, 0, -0.08));
int sets[8][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {3,0,1}}; int sets[8][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {3,0,1}};
vector<const int*> expectedSets(&sets[0], &sets[8]); vector<const int*> expectedSets(&sets[0], &sets[8]);
validateStillingerWeber(force, positions, expectedSets, 2.0); validateStillingerWeber(force, positions, expectedSets, 2.0);
......
...@@ -587,9 +587,9 @@ void testCentralParticleModeNoCutoff() { ...@@ -587,9 +587,9 @@ void testCentralParticleModeNoCutoff() {
force->addParticle(params); force->addParticle(params);
vector<Vec3> positions; vector<Vec3> positions;
positions.push_back(Vec3(0, 0, 0)); positions.push_back(Vec3(0, 0, 0));
positions.push_back(Vec3(1, 0, 0)); positions.push_back(Vec3(0.1, 0, 0));
positions.push_back(Vec3(0, 1.1, 0.3)); positions.push_back(Vec3(0, 0.11, 0.03));
positions.push_back(Vec3(0.4, 0, -0.8)); positions.push_back(Vec3(0.04, 0, -0.08));
int sets[12][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {2,0,3}, {2, 1, 3}, {3,0,1}, {3,0,2}, {3,1,2}}; int sets[12][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {2,0,3}, {2, 1, 3}, {3,0,1}, {3,0,2}, {3,1,2}};
vector<const int*> expectedSets(&sets[0], &sets[12]); vector<const int*> expectedSets(&sets[0], &sets[12]);
validateStillingerWeber(force, positions, expectedSets, 2.0); validateStillingerWeber(force, positions, expectedSets, 2.0);
...@@ -606,7 +606,7 @@ void testCentralParticleModeCutoff() { ...@@ -606,7 +606,7 @@ void testCentralParticleModeCutoff() {
force->addGlobalParameter("sigma", 0.23925); force->addGlobalParameter("sigma", 0.23925);
force->addGlobalParameter("gamma", 1.2); force->addGlobalParameter("gamma", 1.2);
force->setNonbondedMethod(CustomManyParticleForce::CutoffNonPeriodic); force->setNonbondedMethod(CustomManyParticleForce::CutoffNonPeriodic);
force->setCutoffDistance(1.55); force->setCutoffDistance(0.155);
vector<double> params; vector<double> params;
force->addParticle(params); force->addParticle(params);
force->addParticle(params); force->addParticle(params);
...@@ -614,9 +614,9 @@ void testCentralParticleModeCutoff() { ...@@ -614,9 +614,9 @@ void testCentralParticleModeCutoff() {
force->addParticle(params); force->addParticle(params);
vector<Vec3> positions; vector<Vec3> positions;
positions.push_back(Vec3(0, 0, 0)); positions.push_back(Vec3(0, 0, 0));
positions.push_back(Vec3(1, 0, 0)); positions.push_back(Vec3(0.1, 0, 0));
positions.push_back(Vec3(0, 1.1, 0.3)); positions.push_back(Vec3(0, 0.11, 0.03));
positions.push_back(Vec3(0.4, 0, -0.8)); positions.push_back(Vec3(0.04, 0, -0.08));
int sets[8][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {3,0,1}}; int sets[8][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {3,0,1}};
vector<const int*> expectedSets(&sets[0], &sets[8]); vector<const int*> expectedSets(&sets[0], &sets[8]);
validateStillingerWeber(force, positions, expectedSets, 2.0); validateStillingerWeber(force, positions, expectedSets, 2.0);
......
...@@ -552,9 +552,9 @@ void testCentralParticleModeNoCutoff() { ...@@ -552,9 +552,9 @@ void testCentralParticleModeNoCutoff() {
force->addParticle(params); force->addParticle(params);
vector<Vec3> positions; vector<Vec3> positions;
positions.push_back(Vec3(0, 0, 0)); positions.push_back(Vec3(0, 0, 0));
positions.push_back(Vec3(1, 0, 0)); positions.push_back(Vec3(0.1, 0, 0));
positions.push_back(Vec3(0, 1.1, 0.3)); positions.push_back(Vec3(0, 0.11, 0.03));
positions.push_back(Vec3(0.4, 0, -0.8)); positions.push_back(Vec3(0.04, 0, -0.08));
int sets[12][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {2,0,3}, {2, 1, 3}, {3,0,1}, {3,0,2}, {3,1,2}}; int sets[12][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {2,0,3}, {2, 1, 3}, {3,0,1}, {3,0,2}, {3,1,2}};
vector<const int*> expectedSets(&sets[0], &sets[12]); vector<const int*> expectedSets(&sets[0], &sets[12]);
validateStillingerWeber(force, positions, expectedSets, 2.0); validateStillingerWeber(force, positions, expectedSets, 2.0);
...@@ -571,7 +571,7 @@ void testCentralParticleModeCutoff() { ...@@ -571,7 +571,7 @@ void testCentralParticleModeCutoff() {
force->addGlobalParameter("sigma", 0.23925); force->addGlobalParameter("sigma", 0.23925);
force->addGlobalParameter("gamma", 1.2); force->addGlobalParameter("gamma", 1.2);
force->setNonbondedMethod(CustomManyParticleForce::CutoffNonPeriodic); force->setNonbondedMethod(CustomManyParticleForce::CutoffNonPeriodic);
force->setCutoffDistance(1.55); force->setCutoffDistance(0.155);
vector<double> params; vector<double> params;
force->addParticle(params); force->addParticle(params);
force->addParticle(params); force->addParticle(params);
...@@ -579,9 +579,9 @@ void testCentralParticleModeCutoff() { ...@@ -579,9 +579,9 @@ void testCentralParticleModeCutoff() {
force->addParticle(params); force->addParticle(params);
vector<Vec3> positions; vector<Vec3> positions;
positions.push_back(Vec3(0, 0, 0)); positions.push_back(Vec3(0, 0, 0));
positions.push_back(Vec3(1, 0, 0)); positions.push_back(Vec3(0.1, 0, 0));
positions.push_back(Vec3(0, 1.1, 0.3)); positions.push_back(Vec3(0, 0.11, 0.03));
positions.push_back(Vec3(0.4, 0, -0.8)); positions.push_back(Vec3(0.04, 0, -0.08));
int sets[8][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {3,0,1}}; int sets[8][3] = {{0,1,2}, {0,1,3}, {0,2,3}, {1,0,2}, {1,0,3}, {1, 2, 3}, {2,0,1}, {3,0,1}};
vector<const int*> expectedSets(&sets[0], &sets[8]); vector<const int*> expectedSets(&sets[0], &sets[8]);
validateStillingerWeber(force, positions, expectedSets, 2.0); validateStillingerWeber(force, positions, expectedSets, 2.0);
......
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