Changeset c26f44 for tests

Timestamp:

Oct 5, 2009, 5:21:58 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

fa861b

Parents:

a33931

git-author:

Frederik Heber <heber@…> (10/05/09 17:14:58)

git-committer:

Frederik Heber <heber@…> (10/05/09 17:21:58)

Message:

Fixed testsuite, removed some minor bugs.

• TesselationUnitTest_SOURCES lacked memoryallocator stuff
• Free does not give a message anymore, as there can be no error.
• testsuite was fixed for suite 2 and 3, mostly due to changed options that were not accomodated for in the testsuite

File:

• tests/testsuite.at (modified) (2 diffs)

tests/testsuite.at

@@ -33 +33 @@
 AT_DATA([test.conf], [])
 AT_CHECK([../../molecuilder test.conf -e ./ -p test.xyz], 0, [ignore], [ignore])
-AT_CHECK([fgrep "Ion_Type1_1" test.conf], 0, [Ion_Type1_1       10.000000000    10.000000000    10.000000000    0 # Number in molecule 0
+AT_CHECK([fgrep "Ion_Type1_1" test.conf], 0, [Ion_Type1_1       10.000000000    10.000000000    10.000000000    0 # molecule nr 0
 ], [ignore])
-AT_CHECK([cp test.conf main_pcp_linux], 0, [ignore], [ignore])
-AT_DATA([input], [aa 10. 10. 10. 1
+AT_CHECK([mv test.conf main_pcp_linux], 0, [ignore], [ignore])
+AT_DATA([input], [maa 10. 10. 10. 1
 s
 q
 ])
-AT_CHECK([../../molecuilder -e ./ <input], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder test.conf -e ./ <input], 0, [ignore], [ignore])
 AT_CHECK([diff main_pcp_linux test.conf], 0, [ignore], [ignore])
 # 4. test some more configuration
-AT_CHECK([../../molecuilder test.conf -e ./ -t -s -b -F -E -c -b -a -U -T -u], 0, [ignore], [stderr])
-AT_CHECK([fgrep -c "Not enough or invalid" stderr], 0, [10
+AT_CHECK([../../molecuilder test.conf -e ./ -t -s -b -E -c -b -a -U -T -u], 0, [ignore], [stderr])
+AT_CHECK([fgrep -c "Not enough or invalid" stderr], 0, [9
 ], [ignore])
 AT_CLEANUP
@@ -75 +75 @@
 # 4. create the config and check it
 AT_CHECK([../../molecuilder test.conf -e ./ -p test.xyz], 0, [ignore], [ignore])
-AT_CHECK([fgrep "Ion_Type1_4" test.conf], 0, [Ion_Type1_4       8.532785963     4.787886018     2.645886050     0 # Number in molecule 6
+AT_CHECK([fgrep "Ion_Type1_4" test.conf], 0, [Ion_Type1_4       8.532785963     4.787886018     2.645886050     0 # molecule nr 6
 ], [ignore])
 AT_CHECK([fgrep "Ion_Type2_4" test.conf], 1, [ignore], [ignore])