Surefire Report
Summary
[Summary] [Package List] [Test Cases]
Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|
514 | 0 | 0 | 0 | 100% | 317.2 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% | 0.188 s |
ffx.potential.utils | 3 | 0 | 0 | 0 | 100% | 0.165 s |
ffx.xray.parsers | 6 | 0 | 0 | 0 | 100% | 3.591 s |
ffx.numerics.spline | 14 | 0 | 0 | 0 | 100% | 0.139 s |
ffx.numerics.integrate | 7 | 0 | 0 | 0 | 100% | 0.137 s |
ffx.algorithms.groovy | 81 | 0 | 0 | 0 | 100% | 122.5 s |
ffx.numerics.func1d | 2 | 0 | 0 | 0 | 100% | 0.012 s |
ffx.numerics.multipole | 60 | 0 | 0 | 0 | 100% | 0.627 s |
ffx.numerics.special | 38 | 0 | 0 | 0 | 100% | 0.385 s |
ffx.xray | 20 | 0 | 0 | 0 | 100% | 31.34 s |
ffx.realspace | 1 | 0 | 0 | 0 | 100% | 0.413 s |
ffx.potential.parsers | 1 | 0 | 0 | 0 | 100% | 0.586 s |
ffx.numerics.math | 10 | 0 | 0 | 0 | 100% | 0.122 s |
ffx.numerics.fft | 43 | 0 | 0 | 0 | 100% | 0.820 s |
ffx.crystal | 13 | 0 | 0 | 0 | 100% | 0.434 s |
ffx.utilities | 2 | 0 | 0 | 0 | 100% | 0.038 s |
ffx.potential.groovy | 173 | 0 | 0 | 0 | 100% | 136.6 s |
ffx.algorithms.optimize | 16 | 0 | 0 | 0 | 100% | 18.31 s |
ffx.potential.bonded | 23 | 0 | 0 | 0 | 100% | 0.692 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% | 0.188 s |
ffx.potential.utils
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
SwitchFunctionTest | 3 | 0 | 0 | 0 | 100% | 0.165 s |
ffx.xray.parsers
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
CIFFilterTest | 2 | 0 | 0 | 0 | 100% | 1.344 s |
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MTZFilterTest | 4 | 0 | 0 | 0 | 100% | 2.247 s |
ffx.numerics.spline
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
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UniformBSplineTest | 14 | 0 | 0 | 0 | 100% | 0.139 s |
ffx.numerics.integrate
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
Integrate1DTest | 6 | 0 | 0 | 0 | 100% | 0.129 s |
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IntegrationTest | 1 | 0 | 0 | 0 | 100% | 0.008 s |
ffx.algorithms.groovy
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
SuperposeCrystalsTest | 19 | 0 | 0 | 0 | 100% | 2.849 s |
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DynamicsInitVelocitiesTest | 1 | 0 | 0 | 0 | 100% | 0.807 s |
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BARFilesTest | 2 | 0 | 0 | 0 | 100% | 0.072 s |
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MinimizeCrystalsTest | 5 | 0 | 0 | 0 | 100% | 7.217 s |
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ClusteringTest | 2 | 0 | 0 | 0 | 100% | 0.119 s |
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SimulatedAnnealingTest | 1 | 0 | 0 | 0 | 100% | 6.415 s |
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DynamicsBeemanBerendsenTest | 1 | 0 | 0 | 0 | 100% | 0.410 s |
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ThermodynamicsTest | 21 | 0 | 0 | 0 | 100% | 1.120 s |
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ManyBodyTest | 7 | 0 | 0 | 0 | 100% | 81.39 s |
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DynamicsRESPANVETest | 1 | 0 | 0 | 0 | 100% | 1.556 s |
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DynamicsNVTTest | 1 | 0 | 0 | 0 | 100% | 16.78 s |
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MinimizeTest | 3 | 0 | 0 | 0 | 100% | 1.135 s |
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BARDualTopologyTest | 2 | 0 | 0 | 0 | 100% | 0.059 s |
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DynamicsOpenMMRESPANVETest | 1 | 0 | 0 | 0 | 100% | 0.211 s |
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BARSingleTopologyTest | 2 | 0 | 0 | 0 | 100% | 0.071 s |
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DynamicsStochasticTest | 9 | 0 | 0 | 0 | 100% | 1.517 s |
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DynamicsNVETest | 2 | 0 | 0 | 0 | 100% | 0.763 s |
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DynamicsOpenMMStochasticTest | 1 | 0 | 0 | 0 | 100% | 0.020 s |
ffx.numerics.func1d
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
QuasiLinearSwitchTest | 2 | 0 | 0 | 0 | 100% | 0.012 s |
ffx.numerics.multipole
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
QIMultipoleTensorTest | 15 | 0 | 0 | 0 | 100% | 0.140 s |
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GKTensorQITest | 12 | 0 | 0 | 0 | 100% | 0.118 s |
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GlobalMultipoleTensorTest | 15 | 0 | 0 | 0 | 100% | 0.199 s |
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MultipoleTensorTest | 6 | 0 | 0 | 0 | 100% | 0.042 s |
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GKTensorGlobalTest | 12 | 0 | 0 | 0 | 100% | 0.128 s |
ffx.numerics.special
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
ErfTest | 12 | 0 | 0 | 0 | 100% | 0.123 s |
![]() |
ModifiedBesselTest | 26 | 0 | 0 | 0 | 100% | 0.262 s |
ffx.xray
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
CrystalReciprocalSpaceTest | 2 | 0 | 0 | 0 | 100% | 5.561 s |
![]() |
FormFactorTest | 2 | 0 | 0 | 0 | 100% | 0.060 s |
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XRayMinimizeTest | 14 | 0 | 0 | 0 | 100% | 25.64 s |
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FiniteDifferenceTest | 1 | 0 | 0 | 0 | 100% | 0.017 s |
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XRayManyBodyTest | 1 | 0 | 0 | 0 | 100% | 0.063 s |
ffx.realspace
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
RealspaceManyBodyTest | 1 | 0 | 0 | 0 | 100% | 0.413 s |
ffx.potential.parsers
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
ForceFieldFilterTest | 1 | 0 | 0 | 0 | 100% | 0.586 s |
ffx.numerics.math
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
SquareRootTest | 10 | 0 | 0 | 0 | 100% | 0.122 s |
ffx.numerics.fft
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
Real3DTest | 4 | 0 | 0 | 0 | 100% | 0.070 s |
![]() |
Complex3DParallelTest | 8 | 0 | 0 | 0 | 100% | 0.245 s |
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Complex3DTest | 4 | 0 | 0 | 0 | 100% | 0.089 s |
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Real3DParallelTest | 8 | 0 | 0 | 0 | 100% | 0.199 s |
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ComplexTest | 16 | 0 | 0 | 0 | 100% | 0.190 s |
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RealTest | 3 | 0 | 0 | 0 | 100% | 0.027 s |
ffx.crystal
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
ReflectionListTest | 6 | 0 | 0 | 0 | 100% | 0.352 s |
![]() |
CrystalVolumeDerivativeTest | 7 | 0 | 0 | 0 | 100% | 0.082 s |
ffx.utilities
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
Hybrid36Test | 2 | 0 | 0 | 0 | 100% | 0.038 s |
ffx.potential.groovy
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
SaveAsPDBTest | 2 | 0 | 0 | 0 | 100% | 0.231 s |
![]() |
BiotypeTest | 2 | 0 | 0 | 0 | 100% | 0.162 s |
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XYZtoQETest | 2 | 0 | 0 | 0 | 100% | 0.204 s |
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OPLSAAEnergyTest | 21 | 0 | 0 | 0 | 100% | 9.668 s |
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MoveIntoUnitCellTest | 2 | 0 | 0 | 0 | 100% | 0.254 s |
![]() |
PhGradientTest | 2 | 0 | 0 | 0 | 100% | 2.850 s |
![]() |
TimerTest | 2 | 0 | 0 | 0 | 100% | 6.074 s |
![]() |
VolumeTest | 19 | 0 | 0 | 0 | 100% | 14.36 s |
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SaveAsP1Test | 2 | 0 | 0 | 0 | 100% | 2.924 s |
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SolvatorTest | 4 | 0 | 0 | 0 | 100% | 1.684 s |
![]() |
EnergyTest | 60 | 0 | 0 | 0 | 100% | 24.30 s |
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SaveAsXYZTest | 2 | 0 | 0 | 0 | 100% | 0.295 s |
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PrepareSpaceGroupsTest | 4 | 0 | 0 | 0 | 100% | 24.40 s |
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Frac2CartTest | 2 | 0 | 0 | 0 | 100% | 0.163 s |
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ImportCIFTest | 9 | 0 | 0 | 0 | 100% | 0.823 s |
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LambdaGradientTest | 4 | 0 | 0 | 0 | 100% | 39.90 s |
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GKEnergyTest | 32 | 0 | 0 | 0 | 100% | 8.194 s |
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Cart2FracTest | 2 | 0 | 0 | 0 | 100% | 0.166 s |
ffx.algorithms.optimize
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
RotamerOptimizationTest | 16 | 0 | 0 | 0 | 100% | 18.31 s |
ffx.potential.bonded
- | Class | Tests | Errors | Failures | Skipped | Success Rate | Time |
---|---|---|---|---|---|---|---|
![]() |
AngleTest | 2 | 0 | 0 | 0 | 100% | 0.001 s |
![]() |
MSNodeTest | 3 | 0 | 0 | 0 | 100% | 0 s |
![]() |
TorsionTest | 2 | 0 | 0 | 0 | 100% | 0.001 s |
![]() |
LoopClosureTest | 1 | 0 | 0 | 0 | 100% | 0.689 s |
![]() |
BondTest | 6 | 0 | 0 | 0 | 100% | 0 s |
![]() |
AtomTest | 9 | 0 | 0 | 0 | 100% | 0.001 s |
Test Cases
[Summary] [Package List] [Test Cases]
Hybrid36Test
![]() |
testDecode | 0 s |
![]() |
testEncode | 0.023 s |
ErfTest
Real3DTest
![]() |
testConvolution[0] | 0.023 s |
![]() |
testFft[0] | 0.018 s |
![]() |
testConvolution[1] | 0.013 s |
![]() |
testFft[1] | 0.015 s |
Complex3DParallelTest
![]() |
testConvolution[0] | 0.036 s |
![]() |
testFft[0] | 0.041 s |
![]() |
testConvolution[1] | 0.033 s |
![]() |
testFft[1] | 0.035 s |
![]() |
testConvolution[2] | 0.028 s |
![]() |
testFft[2] | 0.027 s |
![]() |
testConvolution[3] | 0.019 s |
![]() |
testFft[3] | 0.023 s |
Complex3DTest
![]() |
testConvolution[0] | 0.029 s |
![]() |
testFft[0] | 0.029 s |
![]() |
testConvolution[1] | 0.016 s |
![]() |
testFft[1] | 0.013 s |
QIMultipoleTensorTest
Real3DParallelTest
![]() |
testConvolution[0] | 0.028 s |
![]() |
testFft[0] | 0.031 s |
![]() |
testConvolution[1] | 0.025 s |
![]() |
testFft[1] | 0.029 s |
![]() |
testConvolution[2] | 0.020 s |
![]() |
testFft[2] | 0.020 s |
![]() |
testConvolution[3] | 0.020 s |
![]() |
testFft[3] | 0.025 s |
QuasiLinearSwitchTest
![]() |
testPoints[0] | 0.004 s |
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testPoints[1] | 0.007 s |
GKTensorQITest
GlobalMultipoleTensorTest
SquareRootTest
MultipoleTensorTest
![]() |
tensorCountTest[0] | 0 s |
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tensorIndexTest[0] | 0.002 s |
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tensorCountTest[1] | 0.008 s |
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tensorIndexTest[1] | 0.008 s |
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tensorCountTest[2] | 0.008 s |
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tensorIndexTest[2] | 0.010 s |
ComplexTest
GKTensorGlobalTest
Integrate1DTest
![]() |
castToDoubleSetTest | 0.028 s |
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testSinCosine | 0.053 s |
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parallelTest | 0.020 s |
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polynomialTest | 0.008 s |
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testByBinIntegral | 0.010 s |
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polynomialGrinderTest | 0.007 s |
ModifiedBesselTest
IntegrationTest
![]() |
integrationTest | 0.006 s |
UniformBSplineTest
RealTest
![]() |
testFft[0] | 0.006 s |
![]() |
testFft[1] | 0.009 s |
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testFft[2] | 0.010 s |
ReflectionListTest
![]() |
testreflections[0] | 0.198 s |
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testsize[0] | 0.104 s |
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testreflections[1] | 0.010 s |
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testsize[1] | 0.010 s |
![]() |
testreflections[2] | 0.010 s |
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testsize[2] | 0.011 s |
CrystalVolumeDerivativeTest
SaveAsPDBTest
![]() |
testSaveAsPDBHelp | 0.025 s |
![]() |
testSaveAsPDB | 0.205 s |
AngleTest
![]() |
Angle_getCommonBond | 0 s |
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Angle_getOtherBond | 0 s |
ForceFieldFilterTest
![]() |
testParse | 0.582 s |
BiotypeTest
![]() |
testBiotype | 0.125 s |
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testBiotypeHelp | 0.036 s |
XYZtoQETest
![]() |
testXYZtoQEHelp | 0.034 s |
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testXYZtoQE | 0.168 s |
OPLSAAEnergyTest
MoveIntoUnitCellTest
![]() |
testMoveIntoUnitCell | 0.206 s |
![]() |
testMoveIntoUnitCellHelp | 0.046 s |
PhGradientTest
![]() |
testEndStateEnergyAndGradient[0] | 1.582 s |
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testEndStateEnergyAndGradient[1] | 1.267 s |
TimerTest
![]() |
testTimer | 6.045 s |
![]() |
testTimerHelp | 0.026 s |
VolumeTest
SaveAsP1Test
![]() |
testSaveAsP1 | 2.891 s |
![]() |
testSaveAsP1Help | 0.032 s |
SolvatorTest
![]() |
testSolvator[0] | 0.045 s |
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testSolvator[1] | 0.625 s |
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testSolvator[2] | 0.550 s |
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testSolvator[3] | 0.462 s |
SwitchFunctionTest
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testPowerInterpolation | 0.080 s |
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multSwitchTest | 0.022 s |
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trigTest | 0.061 s |
MSNodeTest
![]() |
MSNode_equals | 0 s |
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MSNode_constructor | 0 s |
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MSNode_destroy | 0 s |
EnergyTest
SaveAsXYZTest
![]() |
testSaveAsXYZHelp | 0.051 s |
![]() |
testSaveAsXYZ | 0.243 s |
TorsionTest
![]() |
Torsion_constructor2 | 0 s |
![]() |
Torsion_constructor | 0 s |
LoopClosureTest
![]() |
loopTest[0] | 0.688 s |
PrepareSpaceGroupsTest
![]() |
testPrepareSpaceGroups | 11.94 s |
![]() |
testPrepareSpaceGroupsAChiral | 8.959 s |
![]() |
testPrepareSpaceGroupHelp | 0.045 s |
![]() |
testPrepareSpaceGroupsChiral | 3.451 s |
Frac2CartTest
![]() |
testFrac2CartHelp | 0.037 s |
![]() |
testFrac2Cart | 0.125 s |
BondTest
![]() |
Bond_formsAngleWith | 0 s |
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Bond_getCommonAtom | 0 s |
![]() |
Bond_constructor | 0 s |
![]() |
Bond_update | 0 s |
![]() |
Bond_getOtherAtom2 | 0 s |
![]() |
Bond_getOtherAtom | 0 s |
ImportCIFTest
LambdaGradientTest
![]() |
testLambdaGradientSymOp | 23.06 s |
![]() |
testLambdaGradient | 4.679 s |
![]() |
testLambdaGradientHelp | 0.052 s |
![]() |
testLambdaGradientIntermolecularSoftcore | 12.10 s |
GKEnergyTest
NeckIntegralTest
![]() |
testSettingConstants | 0.185 s |
Cart2FracTest
![]() |
testCart2FractHelp | 0.039 s |
![]() |
testCart2Frac | 0.126 s |
AtomTest
![]() |
Atom_constructor3 | 0 s |
![]() |
Atom_constructor4 | 0 s |
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Atom_constructor | 0 s |
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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] | 0.806 s |
BARFilesTest
![]() |
testBARHelp | 0.036 s |
![]() |
testBARFiles | 0.034 s |
MinimizeCrystalsTest
![]() |
testCrystalMinFractional | 1.863 s |
![]() |
testCrystalMinHelp | 0.043 s |
![]() |
testCrystalMinCoords | 1.243 s |
![]() |
testCrystalMinConvergenceCriteria | 2.166 s |
![]() |
testCrystalMinIterations | 1.900 s |
ClusteringTest
![]() |
testClusterHelp | 0.028 s |
![]() |
testBaseCluster | 0.090 s |
SimulatedAnnealingTest
![]() |
testSimulatedAnnealing[0] | 6.413 s |
DynamicsBeemanBerendsenTest
![]() |
testDynamicsBeemanBerendsen[0] | 0.408 s |
ThermodynamicsTest
ManyBodyTest
DynamicsRESPANVETest
![]() |
testRESPANVE[0] | 1.553 s |
DynamicsNVTTest
![]() |
testDynamicsNVT[0] | 16.78 s |
MinimizeTest
![]() |
testMinimizeIterations | 0.576 s |
![]() |
testMinimizeConvergenceCriteria | 0.519 s |
![]() |
testMinimizeHelp | 0.039 s |
BARDualTopologyTest
![]() |
testBARHelp | 0.032 s |
![]() |
testBAR | 0.027 s |
DynamicsOpenMMRESPANVETest
![]() |
testDynamicsOpenMMRESPANVE[0] | 0.205 s |
BARSingleTopologyTest
![]() |
testBARHelp | 0.042 s |
![]() |
testBAR | 0.027 s |
DynamicsStochasticTest
RotamerOptimizationTest
DynamicsNVETest
![]() |
testDynamicsNVE[0] | 0.716 s |
![]() |
testDynamicsHelp[0] | 0.047 s |
DynamicsOpenMMStochasticTest
![]() |
testDynamicsOpenMMStochastic[0] | 0.018 s |
CIFFilterTest
![]() |
testCIFFilter2DRM | 0.364 s |
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testCIFFilter3DYC | 0.978 s |
CrystalReciprocalSpaceTest
![]() |
test1NSFPermanent | 2.929 s |
![]() |
test1N7SPermanent | 2.630 s |
FormFactorTest
![]() |
testCarbonfrho | 0.025 s |
![]() |
testCarbonFF | 0.031 s |
XRayMinimizeTest
FiniteDifferenceTest
![]() |
testFiniteDifferences[0] | 0.016 s |
RealspaceManyBodyTest
![]() |
testManyBodyHelp | 0.410 s |
MTZFilterTest
![]() |
testMTZParams | 0.981 s |
![]() |
testMTZReflectionList | 0.111 s |
![]() |
testMTZReadFile | 0.591 s |
![]() |
testMTZHKL | 0.560 s |
XRayManyBodyTest
![]() |
testManyBodyHelp | 0.061 s |