Testsuite: org.openscience.cdk.modulesuites.MqsaratomicTests
Tests run: 465, Failures: 5, Errors: 0, Time elapsed: 66.828 sec
------------- Standard Output ---------------
neighboor.getSymbol() = F
neighboor.getSymbol() = H
neighboor.getSymbol() = H
neighboor.getSymbol() = H
mol.getAtom(0).getSymbol() = C
neighboor.getSymbol() = F
neighboor.getSymbol() = F
neighboor.getSymbol() = H
neighboor.getSymbol() = H
neighboor.getSymbol() = O
neighboor.getSymbol() = O
neighboor.getSymbol() = O
neighboor.getSymbol() = O
------------- ---------------- ---------------
Testcase: testIsProtonInAromaticSystemDescriptor(org.openscience.cdk.qsar.descriptors.atomic.IsProtonInAromaticSystemDescriptorTest): FAILED
expected:<1> but was:<0>
junit.framework.AssertionFailedError: expected:<1> but was:<0>
at org.openscience.cdk.qsar.descriptors.atomic.IsProtonInAromaticSystemDescriptorTest.testIsProtonInAromaticSystemDescriptor(IsProtonInAromaticSystemDescriptorTest.java:58)
Testcase: testPartialPiChargeDescriptoCharge_2(org.openscience.cdk.qsar.descriptors.atomic.PartialPiChargeDescriptorTest): FAILED
expected:<0.0> but was:<0.08004015498438341>
junit.framework.AssertionFailedError: expected:<0.0> but was:<0.08004015498438341>
at org.openscience.cdk.qsar.descriptors.atomic.PartialPiChargeDescriptorTest.testPartialPiChargeDescriptoCharge_2(PartialPiChargeDescriptorTest.java:368)
Testcase: testPartialPiChargeDescriptoCharge_3(org.openscience.cdk.qsar.descriptors.atomic.PartialPiChargeDescriptorTest): FAILED
expected:<-0.0078> but was:<0.21146509555548698>
junit.framework.AssertionFailedError: expected:<-0.0078> but was:<0.21146509555548698>
at org.openscience.cdk.qsar.descriptors.atomic.PartialPiChargeDescriptorTest.testPartialPiChargeDescriptoCharge_3(PartialPiChargeDescriptorTest.java:395)
Testcase: testLabels(org.openscience.cdk.qsar.descriptors.atomic.ProtonTotalPartialChargeDescriptorTest): FAILED
The number of labels must equals the number of values. expected:<5> but was:<6>
junit.framework.AssertionFailedError: The number of labels must equals the number of values. expected:<5> but was:<6>
at org.openscience.cdk.qsar.descriptors.atomic.AtomicDescriptorTest.testLabels(AtomicDescriptorTest.java:110)
Testcase: testNamesConsistency(org.openscience.cdk.qsar.descriptors.atomic.ProtonTotalPartialChargeDescriptorTest): FAILED
expected:<6> but was:<5>
junit.framework.AssertionFailedError: expected:<6> but was:<5>
at org.openscience.cdk.qsar.descriptors.atomic.AtomicDescriptorTest.testNamesConsistency(AtomicDescriptorTest.java:133)