Surefire Report
Summary
[Summary] [Package List] [Test Cases]
Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|
600 | 0 | 0 | 0 | 100% | 322.0 s |
Note: failures are anticipated and checked for with assertions while errors are unanticipated.
Package List
[Summary] [Package List] [Test Cases]
Package | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|
ffx.potential.nonbonded | 1 | 0 | 0 | 0 | 100% | 0.170 s |
ffx.potential.utils | 3 | 0 | 0 | 0 | 100% | 0.149 s |
ffx.xray.parsers | 6 | 0 | 0 | 0 | 100% | 3.660 s |
ffx.numerics.estimator | 1 | 0 | 0 | 0 | 100% | 8.008 s |
ffx.numerics.spline | 14 | 0 | 0 | 0 | 100% | 0.207 s |
ffx.numerics.integrate | 7 | 0 | 0 | 0 | 100% | 0.170 s |
ffx.algorithms.groovy | 83 | 0 | 0 | 0 | 100% | 116.3 s |
ffx.numerics.func1d | 2 | 0 | 0 | 0 | 100% | 0.032 s |
ffx.numerics.multipole | 68 | 0 | 0 | 0 | 100% | 0.856 s |
ffx.numerics.special | 38 | 0 | 0 | 0 | 100% | 0.574 s |
ffx.xray | 20 | 0 | 0 | 0 | 100% | 30.80 s |
ffx.realspace | 1 | 0 | 0 | 0 | 100% | 0.455 s |
ffx.potential.parsers | 1 | 0 | 0 | 0 | 100% | 0.602 s |
ffx.numerics.math | 10 | 0 | 0 | 0 | 100% | 0.206 s |
ffx.numerics.fft | 115 | 0 | 0 | 0 | 100% | 2.981 s |
ffx.crystal | 13 | 0 | 0 | 0 | 100% | 0.459 s |
ffx.utilities | 2 | 0 | 0 | 0 | 100% | 0.031 s |
ffx.potential.groovy | 175 | 0 | 0 | 0 | 100% | 136.6 s |
ffx.algorithms.optimize | 18 | 0 | 0 | 0 | 100% | 19.07 s |
ffx.potential.bonded | 22 | 0 | 0 | 0 | 100% | 0.669 s |
Note: package statistics are not computed recursively, they only sum up all of its testsuites numbers.
ffx.potential.nonbonded
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
NeckIntegralTest | 1 | 0 | 0 | 0 | 100% | 0.170 s |
ffx.potential.utils
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
SwitchFunctionTest | 3 | 0 | 0 | 0 | 100% | 0.149 s |
ffx.xray.parsers
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
CIFFilterTest | 2 | 0 | 0 | 0 | 100% | 1.331 s | |
MTZFilterTest | 4 | 0 | 0 | 0 | 100% | 2.329 s |
ffx.numerics.estimator
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
MBARHarmonicOscillatorsTest | 1 | 0 | 0 | 0 | 100% | 8.008 s |
ffx.numerics.spline
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
UniformBSplineTest | 14 | 0 | 0 | 0 | 100% | 0.207 s |
ffx.numerics.integrate
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
Integrate1DTest | 6 | 0 | 0 | 0 | 100% | 0.152 s | |
IntegrationTest | 1 | 0 | 0 | 0 | 100% | 0.018 s |
ffx.algorithms.groovy
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
SuperposeCrystalsTest | 20 | 0 | 0 | 0 | 100% | 3.731 s | |
DynamicsInitVelocitiesTest | 1 | 0 | 0 | 0 | 100% | 0.779 s | |
BARFilesTest | 1 | 0 | 0 | 0 | 100% | 0.047 s | |
OSTGradientTest | 3 | 0 | 0 | 0 | 100% | 1.940 s | |
MinimizeCrystalsTest | 5 | 0 | 0 | 0 | 100% | 6.196 s | |
ClusteringTest | 2 | 0 | 0 | 0 | 100% | 0.124 s | |
SimulatedAnnealingTest | 1 | 0 | 0 | 0 | 100% | 6.373 s | |
DynamicsBeemanBerendsenTest | 1 | 0 | 0 | 0 | 100% | 0.498 s | |
ThermodynamicsTest | 21 | 0 | 0 | 0 | 100% | 1.209 s | |
ManyBodyTest | 7 | 0 | 0 | 0 | 100% | 73.57 s | |
DynamicsRESPANVETest | 1 | 0 | 0 | 0 | 100% | 1.575 s | |
DynamicsNVTTest | 1 | 0 | 0 | 0 | 100% | 16.51 s | |
MinimizeTest | 3 | 0 | 0 | 0 | 100% | 1.211 s | |
BARDualTopologyTest | 1 | 0 | 0 | 0 | 100% | 0.031 s | |
DynamicsOpenMMRESPANVETest | 1 | 0 | 0 | 0 | 100% | 0.226 s | |
BARSingleTopologyTest | 1 | 0 | 0 | 0 | 100% | 0.033 s | |
DynamicsStochasticTest | 9 | 0 | 0 | 0 | 100% | 1.586 s | |
MBARFilesTest | 1 | 0 | 0 | 0 | 100% | 0.025 s | |
DynamicsNVETest | 2 | 0 | 0 | 0 | 100% | 0.655 s | |
DynamicsOpenMMStochasticTest | 1 | 0 | 0 | 0 | 100% | 0.021 s |
ffx.numerics.func1d
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
QuasiLinearSwitchTest | 2 | 0 | 0 | 0 | 100% | 0.032 s |
ffx.numerics.multipole
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
GKTensorQITest | 12 | 0 | 0 | 0 | 100% | 0.168 s | |
MultipoleTensorQITest | 15 | 0 | 0 | 0 | 100% | 0.213 s | |
MultipoleTensorTest | 6 | 0 | 0 | 0 | 100% | 0.049 s | |
MultipoleTensorQISIMDTest | 2 | 0 | 0 | 0 | 100% | 0.009 s | |
MultipoleTensorGlobalSIMDTest | 2 | 0 | 0 | 0 | 100% | 0.042 s | |
CombinedTensorTest | 2 | 0 | 0 | 0 | 100% | 0 s | |
GKTensorGlobalTest | 12 | 0 | 0 | 0 | 100% | 0.146 s | |
AMOEBAPlusMultipoleTensorGlobalTest | 2 | 0 | 0 | 0 | 100% | 0 s | |
MultipoleTensorGlobalTest | 15 | 0 | 0 | 0 | 100% | 0.229 s |
ffx.numerics.special
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
ErfTest | 12 | 0 | 0 | 0 | 100% | 0.180 s | |
ModifiedBesselTest | 26 | 0 | 0 | 0 | 100% | 0.394 s |
ffx.xray
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
CrystalReciprocalSpaceTest | 2 | 0 | 0 | 0 | 100% | 5.492 s | |
FormFactorTest | 2 | 0 | 0 | 0 | 100% | 0.062 s | |
XRayMinimizeTest | 14 | 0 | 0 | 0 | 100% | 25.14 s | |
FiniteDifferenceTest | 1 | 0 | 0 | 0 | 100% | 0.022 s | |
XRayManyBodyTest | 1 | 0 | 0 | 0 | 100% | 0.092 s |
ffx.realspace
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
RealspaceManyBodyTest | 1 | 0 | 0 | 0 | 100% | 0.455 s |
ffx.potential.parsers
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
ForceFieldFilterTest | 1 | 0 | 0 | 0 | 100% | 0.602 s |
ffx.numerics.math
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
SquareRootTest | 10 | 0 | 0 | 0 | 100% | 0.206 s |
ffx.numerics.fft
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
Real3DTest | 4 | 0 | 0 | 0 | 100% | 0.118 s | |
Complex3DParallelTest | 8 | 0 | 0 | 0 | 100% | 0.288 s | |
Complex3DTest | 4 | 0 | 0 | 0 | 100% | 0.123 s | |
Real3DParallelTest | 8 | 0 | 0 | 0 | 100% | 0.262 s | |
ComplexTest | 72 | 0 | 0 | 0 | 100% | 1.822 s | |
Complex2DTest | 16 | 0 | 0 | 0 | 100% | 0.310 s | |
RealTest | 3 | 0 | 0 | 0 | 100% | 0.058 s |
ffx.crystal
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
ReflectionListTest | 6 | 0 | 0 | 0 | 100% | 0.366 s | |
CrystalVolumeDerivativeTest | 7 | 0 | 0 | 0 | 100% | 0.093 s |
ffx.utilities
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
Hybrid36Test | 2 | 0 | 0 | 0 | 100% | 0.031 s |
ffx.potential.groovy
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
SaveAsPDBTest | 2 | 0 | 0 | 0 | 100% | 0.233 s | |
BiotypeTest | 2 | 0 | 0 | 0 | 100% | 0.204 s | |
OPLSAAEnergyTest | 21 | 0 | 0 | 0 | 100% | 9.131 s | |
MoveIntoUnitCellTest | 2 | 0 | 0 | 0 | 100% | 0.197 s | |
PhGradientTest | 2 | 0 | 0 | 0 | 100% | 2.837 s | |
TimerTest | 2 | 0 | 0 | 0 | 100% | 6.056 s | |
FFtoXMLTest | 2 | 0 | 0 | 0 | 100% | 0.250 s | |
VolumeTest | 19 | 0 | 0 | 0 | 100% | 14.34 s | |
SaveAsP1Test | 2 | 0 | 0 | 0 | 100% | 2.471 s | |
SolvatorTest | 4 | 0 | 0 | 0 | 100% | 1.692 s | |
EnergyTest | 60 | 0 | 0 | 0 | 100% | 24.33 s | |
SaveAsXYZTest | 2 | 0 | 0 | 0 | 100% | 0.303 s | |
ExportQETest | 2 | 0 | 0 | 0 | 100% | 0.171 s | |
PrepareSpaceGroupsTest | 4 | 0 | 0 | 0 | 100% | 26.33 s | |
Frac2CartTest | 2 | 0 | 0 | 0 | 100% | 0.169 s | |
ImportCIFTest | 9 | 0 | 0 | 0 | 100% | 0.929 s | |
LambdaGradientTest | 4 | 0 | 0 | 0 | 100% | 38.67 s | |
GKEnergyTest | 32 | 0 | 0 | 0 | 100% | 8.106 s | |
Cart2FracTest | 2 | 0 | 0 | 0 | 100% | 0.159 s |
ffx.algorithms.optimize
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
PhRepexTest | 2 | 0 | 0 | 0 | 100% | 2.637 s | |
RotamerOptimizationTest | 16 | 0 | 0 | 0 | 100% | 16.43 s |
ffx.potential.bonded
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
AngleTest | 2 | 0 | 0 | 0 | 100% | 0 s | |
MSNodeTest | 3 | 0 | 0 | 0 | 100% | 0 s | |
TorsionTest | 1 | 0 | 0 | 0 | 100% | 0 s | |
LoopClosureTest | 1 | 0 | 0 | 0 | 100% | 0.666 s | |
BondTest | 6 | 0 | 0 | 0 | 100% | 0.002 s | |
AtomTest | 9 | 0 | 0 | 0 | 100% | 0.001 s |
Test Cases
[Summary] [Package List] [Test Cases]
Hybrid36Test
testDecode | 0 s | |
testEncode | 0.006 s |
ErfTest
Real3DTest
testConvolution[0] | 0.035 s | |
testFft[0] | 0.030 s | |
testConvolution[1] | 0.022 s | |
testFft[1] | 0.030 s |
Complex3DParallelTest
testConvolution[0] | 0.046 s | |
testFft[0] | 0.042 s | |
testConvolution[1] | 0.038 s | |
testFft[1] | 0.038 s | |
testConvolution[2] | 0.031 s | |
testFft[2] | 0.029 s | |
testConvolution[3] | 0.030 s | |
testFft[3] | 0.030 s |
Complex3DTest
testConvolution[0] | 0.031 s | |
testFft[0] | 0.031 s | |
testConvolution[1] | 0.030 s | |
testFft[1] | 0.029 s |
MBARHarmonicOscillatorsTest
testMBAROscillators | 8.007 s |
Real3DParallelTest
testConvolution[0] | 0.033 s | |
testFft[0] | 0.031 s | |
testConvolution[1] | 0.035 s | |
testFft[1] | 0.037 s | |
testConvolution[2] | 0.031 s | |
testFft[2] | 0.030 s | |
testConvolution[3] | 0.033 s | |
testFft[3] | 0.029 s |
QuasiLinearSwitchTest
testPoints[0] | 0.018 s | |
testPoints[1] | 0.013 s |
GKTensorQITest
SquareRootTest
MultipoleTensorQITest
MultipoleTensorTest
tensorCountTest[0] | 0 s | |
tensorIndexTest[0] | 0.007 s | |
tensorCountTest[1] | 0.008 s | |
tensorIndexTest[1] | 0.009 s | |
tensorCountTest[2] | 0.010 s | |
tensorIndexTest[2] | 0.011 s |
ComplexTest
MultipoleTensorQISIMDTest
polarizationEnergyAndGradientTest[0] | 0.002 s | |
permanentMultipoleEnergyAndGradTest[0] | 0.005 s |
MultipoleTensorGlobalSIMDTest
polarizationEnergyAndGradientTest[0] | 0.037 s | |
permanentMultipoleEnergyAndGradTest[0] | 0.004 s |
CombinedTensorTest
polarizationEnergyAndGradientTest[0] | 0 s | |
permanentMultipoleEnergyAndGradTest[0] | 0 s |
Complex2DTest
GKTensorGlobalTest
Integrate1DTest
castToDoubleSetTest | 0.027 s | |
testSinCosine | 0.050 s | |
parallelTest | 0.019 s | |
polynomialTest | 0.014 s | |
testByBinIntegral | 0.022 s | |
polynomialGrinderTest | 0.018 s |
ModifiedBesselTest
AMOEBAPlusMultipoleTensorGlobalTest
inducedDipoleEnergyAndGradient[0] | 0 s | |
permanentMultipoleEnergyAndGradTest[0] | 0 s |
MultipoleTensorGlobalTest
IntegrationTest
integrationTest | 0.016 s |
UniformBSplineTest
RealTest
testFft[0] | 0.013 s | |
testFft[1] | 0.021 s | |
testFft[2] | 0.022 s |
ReflectionListTest
testreflections[0] | 0.205 s | |
testsize[0] | 0.108 s | |
testreflections[1] | 0.011 s | |
testsize[1] | 0.010 s | |
testreflections[2] | 0.011 s | |
testsize[2] | 0.010 s |
CrystalVolumeDerivativeTest
SaveAsPDBTest
testSaveAsPDBHelp | 0.024 s | |
testSaveAsPDB | 0.207 s |
AngleTest
Angle_getCommonBond | 0 s | |
Angle_getOtherBond | 0 s |
ForceFieldFilterTest
testParse | 0.596 s |
BiotypeTest
testBiotype | 0.151 s | |
testBiotypeHelp | 0.052 s |
OPLSAAEnergyTest
MoveIntoUnitCellTest
testMoveIntoUnitCell | 0.160 s | |
testMoveIntoUnitCellHelp | 0.036 s |
PhGradientTest
testEndStateEnergyAndGradient[0] | 1.631 s | |
testEndStateEnergyAndGradient[1] | 1.205 s |
TimerTest
testTimer | 6.020 s | |
testTimerHelp | 0.035 s |
FFtoXMLTest
testFFtoXMLHelp | 0.123 s | |
testFFtoXML | 0.125 s |
VolumeTest
SaveAsP1Test
testSaveAsP1 | 2.435 s | |
testSaveAsP1Help | 0.033 s |
SolvatorTest
testSolvator[0] | 0.045 s | |
testSolvator[1] | 0.623 s | |
testSolvator[2] | 0.526 s | |
testSolvator[3] | 0.495 s |
SwitchFunctionTest
testPowerInterpolation | 0.072 s | |
multSwitchTest | 0.022 s | |
trigTest | 0.050 s |
MSNodeTest
MSNode_equals | 0 s | |
MSNode_constructor | 0 s | |
MSNode_destroy | 0 s |
EnergyTest
SaveAsXYZTest
testSaveAsXYZHelp | 0.036 s | |
testSaveAsXYZ | 0.266 s |
TorsionTest
Torsion_constructor | 0 s |
ExportQETest
testXYZtoQEHelp | 0.051 s | |
testXYZtoQE | 0.117 s |
LoopClosureTest
loopTest[0] | 0.665 s |
PrepareSpaceGroupsTest
testPrepareSpaceGroups | 13.31 s | |
testPrepareSpaceGroupsAChiral | 9.622 s | |
testPrepareSpaceGroupHelp | 0.046 s | |
testPrepareSpaceGroupsChiral | 3.358 s |
Frac2CartTest
testFrac2CartHelp | 0.046 s | |
testFrac2Cart | 0.122 s |
BondTest
Bond_formsAngleWith | 0 s | |
Bond_getCommonAtom | 0 s | |
Bond_constructor | 0 s | |
Bond_update | 0 s | |
Bond_getOtherAtom2 | 0 s | |
Bond_getOtherAtom | 0.001 s |
ImportCIFTest
LambdaGradientTest
testLambdaGradientSymOp | 21.74 s | |
testLambdaGradient | 4.696 s | |
testLambdaGradientHelp | 0.058 s | |
testLambdaGradientIntermolecularSoftcore | 12.18 s |
GKEnergyTest
NeckIntegralTest
testSettingConstants | 0.168 s |
Cart2FracTest
testCart2FractHelp | 0.044 s | |
testCart2Frac | 0.113 s |
AtomTest
Atom_constructor3 | 0 s | |
Atom_constructor4 | 0 s | |
Atom_constructor | 0 s | |
Atom_getBond | 0 s | |
Atom_addTrajectoryCoords | 0 s | |
Atom_equals | 0 s | |
Atom_getNumBonds | 0 s | |
Atom_destroy | 0 s | |
Atom_isBonded | 0 s |
SuperposeCrystalsTest
DynamicsInitVelocitiesTest
testDynamicsInitVelocities[0] | 0.777 s |
BARFilesTest
testBARHelp | 0.046 s |
OSTGradientTest
testOSTGradient[0] | 1.225 s | |
testMetaDynamicsGradient[0] | 0.668 s | |
testOSTBiasHelp[0] | 0.045 s |
MinimizeCrystalsTest
testCrystalMinFractional | 1.859 s | |
testCrystalMinHelp | 0.033 s | |
testCrystalMinCoords | 0.545 s | |
testCrystalMinConvergenceCriteria | 2.063 s | |
testCrystalMinIterations | 1.693 s |
ClusteringTest
testClusterHelp | 0.032 s | |
testBaseCluster | 0.090 s |
SimulatedAnnealingTest
testSimulatedAnnealing[0] | 6.372 s |
DynamicsBeemanBerendsenTest
testDynamicsBeemanBerendsen[0] | 0.497 s |
PhRepexTest
testPhRepexExchangeValidity | 1.342 s | |
testPhRepexRestarts | 1.294 s |
ThermodynamicsTest
ManyBodyTest
DynamicsRESPANVETest
testRESPANVE[0] | 1.571 s |
DynamicsNVTTest
testDynamicsNVT[0] | 16.50 s |
MinimizeTest
testMinimizeIterations | 0.581 s | |
testMinimizeConvergenceCriteria | 0.586 s | |
testMinimizeHelp | 0.043 s |
BARDualTopologyTest
testBARHelp | 0.030 s |
DynamicsOpenMMRESPANVETest
testDynamicsOpenMMRESPANVE[0] | 0.219 s |
BARSingleTopologyTest
testBARHelp | 0.032 s |
DynamicsStochasticTest
MBARFilesTest
testMBARFiles | 0.024 s |
RotamerOptimizationTest
DynamicsNVETest
testDynamicsNVE[0] | 0.610 s | |
testDynamicsHelp[0] | 0.045 s |
DynamicsOpenMMStochasticTest
testDynamicsOpenMMStochastic[0] | 0.020 s |
CIFFilterTest
testCIFFilter2DRM | 0.337 s | |
testCIFFilter3DYC | 0.991 s |
CrystalReciprocalSpaceTest
test1NSFPermanent | 3.064 s | |
test1N7SPermanent | 2.425 s |
FormFactorTest
testCarbonfrho | 0.025 s | |
testCarbonFF | 0.032 s |
XRayMinimizeTest
FiniteDifferenceTest
testFiniteDifferences[0] | 0.019 s |
RealspaceManyBodyTest
testManyBodyHelp | 0.449 s |
MTZFilterTest
testMTZParams | 1.021 s | |
testMTZReflectionList | 0.094 s | |
testMTZReadFile | 0.619 s | |
testMTZHKL | 0.593 s |
XRayManyBodyTest
testManyBodyHelp | 0.090 s |