Testsuite: org.openscience.cdk.modulesuites.MforcefieldTests
Tests run: 18, Failures: 3, Errors: 0, Time elapsed: 22.26 sec
------------- Standard Output ---------------
MMFF94PartialCharges: missing the expected test method: testAssignMMFF94PartialCharges_IAtomContainer
MMFF94PartialCharges: missing the expected test method: testCalculateCharges_IAtomContainer
Missing test class: org.openscience.cdk.modeling.builder3d.ForceFieldConfiguratorTest
Missing test class: org.openscience.cdk.modeling.builder3d.MMFF94ParametersCallTest
Missing test class: org.openscience.cdk.modeling.builder3d.MMFF94BasedAtomTypePatternTest
Missing test class: org.openscience.cdk.modeling.builder3d.MM2BasedParameterSetReaderTest
Missing test class: org.openscience.cdk.modeling.builder3d.MM2BasedAtomTypePatternTest
Missing test class: org.openscience.cdk.modeling.builder3d.MMFF94BasedParameterSetReaderTest
Missing test class: org.openscience.cdk.modeling.forcefield.NewtonRaphsonMethodTest
Missing test class: org.openscience.cdk.modeling.forcefield.VanDerWaalsInteractionsTest
Missing test class: org.openscience.cdk.modeling.forcefield.ForceFieldTest
Missing test class: org.openscience.cdk.modeling.forcefield.SmoothingFunctionsTest
Missing test class: org.openscience.cdk.modeling.forcefield.ElectrostaticInteractionsTest
Missing test class: org.openscience.cdk.modeling.forcefield.StretchBendInteractionsTest
Missing test class: org.openscience.cdk.modeling.forcefield.ConjugateGradientMethodTest
Missing test class: org.openscience.cdk.modeling.forcefield.SteepestDescentsMethodTest
Missing test class: org.openscience.cdk.modeling.forcefield.MMFF94EnergyFunctionTest
Missing test class: org.openscience.cdk.modeling.forcefield.BondStretchingTest
Missing test class: org.openscience.cdk.modeling.forcefield.TorsionsTest
Missing test class: org.openscience.cdk.modeling.forcefield.LineSearchTest
Missing test class: org.openscience.cdk.modeling.forcefield.GeometricMinimizerTest
Missing test class: org.openscience.cdk.modeling.forcefield.AngleBendingTest
Missing test class: org.openscience.cdk.modeling.forcefield.LineSearchForTheWolfeConditionsTest
------------- ---------------- ---------------
Testcase: testCoverage(org.openscience.cdk.coverage.ForcefieldCoverageTest): FAILED
The forcefield module is not fully tested! Missing number of method tests: 2 in number of classes: 1; Missing test classes: 21
junit.framework.AssertionFailedError: The forcefield module is not fully tested! Missing number of method tests: 2 in number of classes: 1; Missing test classes: 21
at org.openscience.cdk.coverage.CoverageTest.runCoverageTest(CoverageTest.java:87)
at org.openscience.cdk.coverage.ForcefieldCoverageTest.testCoverage(ForcefieldCoverageTest.java:43)
Testcase: testMethylbenzolMoleculeMinimization(org.openscience.cdk.modeling.forcefield.ForceFieldTests): FAILED
expected:<33.32029777> but was:<34.15697466114798>
junit.framework.AssertionFailedError: expected:<33.32029777> but was:<34.15697466114798>
at org.openscience.cdk.modeling.forcefield.ForceFieldTests.testMethylbenzolMoleculeMinimization(ForceFieldTests.java:1259)
Testcase: testMMFF94PartialCharges(org.openscience.cdk.charges.MMFF94PartialChargesTest): FAILED
expected:<-0.99> but was:<-1.145>
junit.framework.AssertionFailedError: expected:<-0.99> but was:<-1.145>
at org.openscience.cdk.charges.MMFF94PartialChargesTest.testMMFF94PartialCharges(MMFF94PartialChargesTest.java:60)