Testsuite: org.openscience.cdk.modulesuites.MforcefieldTests
Tests run: 18, Failures: 1, Errors: 2, Time elapsed: 27.237 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.MMFF94BasedParameterSetReaderTest
Missing test class: org.openscience.cdk.modeling.builder3d.MM2BasedAtomTypePatternTest
Missing test class: org.openscience.cdk.modeling.builder3d.MM2BasedParameterSetReaderTest
Missing test class: org.openscience.cdk.modeling.builder3d.ForceFieldConfiguratorTest
Missing test class: org.openscience.cdk.modeling.builder3d.MMFF94BasedAtomTypePatternTest
Missing test class: org.openscience.cdk.modeling.builder3d.MMFF94ParametersCallTest
Missing test class: org.openscience.cdk.modeling.forcefield.MMFF94EnergyFunctionTest
Missing test class: org.openscience.cdk.modeling.forcefield.SteepestDescentsMethodTest
Missing test class: org.openscience.cdk.modeling.forcefield.AngleBendingTest
Missing test class: org.openscience.cdk.modeling.forcefield.NewtonRaphsonMethodTest
Missing test class: org.openscience.cdk.modeling.forcefield.SmoothingFunctionsTest
Missing test class: org.openscience.cdk.modeling.forcefield.StretchBendInteractionsTest
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.LineSearchForTheWolfeConditionsTest
Missing test class: org.openscience.cdk.modeling.forcefield.VanDerWaalsInteractionsTest
Missing test class: org.openscience.cdk.modeling.forcefield.GeometricMinimizerTest
Missing test class: org.openscience.cdk.modeling.forcefield.ElectrostaticInteractionsTest
Missing test class: org.openscience.cdk.modeling.forcefield.ConjugateGradientMethodTest
Missing test class: org.openscience.cdk.modeling.forcefield.ForceFieldTest
------------- ---------------- ---------------
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:103)
at org.openscience.cdk.coverage.ForcefieldCoverageTest.testCoverage(ForcefieldCoverageTest.java:53)
Testcase: testMethylbenzolMoleculeMinimization(org.openscience.cdk.modeling.forcefield.ForceFieldTests): Caused an ERROR
expected:<33.32029777> but was:<24.586509247511636>
java.lang.AssertionError: expected:<33.32029777> but was:<24.586509247511636>
at org.openscience.cdk.modeling.forcefield.ForceFieldTests.testMethylbenzolMoleculeMinimization(ForceFieldTests.java:1258)
Testcase: testMMFF94PartialCharges(org.openscience.cdk.charges.MMFF94PartialChargesTest): Caused an ERROR
expected:<-0.99> but was:<-1.145>
java.lang.AssertionError: expected:<-0.99> but was:<-1.145>
at org.openscience.cdk.charges.MMFF94PartialChargesTest.testMMFF94PartialCharges(MMFF94PartialChargesTest.java:65)