Changeset e69c87 for tests/regression/Options

Timestamp:

Sep 21, 2011, 8:04:30 PM (14 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:

520f93

Parents:

caeeb8

git-author:

Frederik Heber <heber@…> (04/27/11 12:06:33)

git-committer:

Frederik Heber <heber@…> (09/21/11 20:04:30)

Message:

Splitted off Undo and Redo parts into own tests (3-step rule).

• this way tests are cleaner as there are no old files left.
• added lots of Undos/Redos.

Corrected all failing regression tests (of these new Undos/Redos):

• new ActionExceptions, specifically ActionFailureException.
• Action::call() throws ActionFailureException when returned state_ptr equals failure.
• ActionHistory::undoLast(), ::redoLast() also throw when returning state_ptr equals failure.
• doUI() checks for thrownActionFailureException and sets World's ExitFlag to 5.
• the following Actions have canUndo/shouldUndo now true (although Undo/Redo return Action::failure):
  • MoleculeBondFileAction
  • MoleculeLoadAction
  • MoleculeRotateToPrincipalAxisSystemAction
  • MoleculeVerletIntegrationAction
• the following Action's regression tests have been corrected when Undo/Redo capability was already present (e.g. empty.conf created for Undo case):
  • MoleculeRotateAroundOrigin
  • MoleculeRotateAroundSelf
  • MoleculeRotateToPrincipalAxisSystem
  • MoleculeTranslation (also for periodic)
  • MpqcParser
  • PcpParser
  • PdbParser
  • TremoloParser
  • XyzParser
• FindNonConvexBorder(): status was always returned as false as all CheckListOfBaselines() had been commented out.

Location:

tests/regression/Options

Files:

• BondLengthTable/testsuite-options-bond-length-table.at (modified) (2 diffs)
• ElementsDb/testsuite-options-elements-db.at (modified) (2 diffs)
• FastParsing/testsuite-options-fast-parsing.at (modified) (1 diff)
• Help/testsuite-options-help.at (modified) (2 diffs)
• SetDefaultName/testsuite-options-set-default-name.at (modified) (1 diff)
• SetWorldTime/testsuite-options-set-world-time.at (modified) (1 diff)
• Verbosity/testsuite-options-verbosity.at (modified) (1 diff)

tests/regression/Options/BondLengthTable/testsuite-options-bond-length-table.at

@@ -3 +3 @@
 AT_SETUP([Standard Options - bond length table])
 AT_KEYWORDS([options])
+
 AT_DATA([bondlength.db], [[# bond length database
   1 2
@@ -10 +11 @@
 AT_CHECK([../../molecuilder -i test.conf -g bondlength.db], 0, [stdout], [stderr])
 AT_CHECK([grep -E "Using.*as bond length table." stdout], 0, [ignore], [ignore])
+
 AT_CLEANUP
+
+
+AT_SETUP([Standard Options - bond length table with Undo])
+AT_XFAIL_IF([/bin/true])
+AT_KEYWORDS([options])
+
+AT_DATA([bondlength.db], [[# bond length database
+  1 2
+1 1.  0.
+2 0.  0.
+]])
+AT_CHECK([../../molecuilder -i test.conf -g bondlength.db --undo], 0, [stdout], [stderr])
+AT_CHECK([grep -E "Using.*as bond length table." stdout], 0, [ignore], [ignore])
+
+AT_CLEANUP
+
+
+AT_SETUP([Standard Options - bond length table with Redo])
+AT_XFAIL_IF([/bin/true])
+AT_KEYWORDS([options])
+
+AT_DATA([bondlength.db], [[# bond length database
+  1 2
+1 1.  0.
+2 0.  0.
+]])
+AT_CHECK([../../molecuilder -i test.conf -g bondlength.db --undo --redo], 0, [stdout], [stderr])
+AT_CHECK([grep -E "Using.*as bond length table." stdout], 0, [ignore], [ignore])
+
+AT_CLEANUP

tests/regression/Options/ElementsDb/testsuite-options-elements-db.at

@@ -3 +3 @@
 AT_SETUP([Standard Options - element database])
 AT_KEYWORDS([options])
+
 AT_DATA([elements.db], [[#  Covalent  radius  of  each  element in  Angstroem from  CSD (binding  is: [Rcov(A)+Rcov(B)-t,Rcov(A)+Rcov(B)+t] with  t = 0.4A
 #Element  Name  Symbol  Period  Group Block Atomic  Number  AtomicWeight  Covalent  Radius  vdW Radius
@@ -12 +13 @@
 AT_CHECK([fgrep "Element list loaded successfully." stdout], 0, [ignore], [ignore])
 AT_CHECK([fgrep "Something went wrong while parsing the other databases!" stderr], 0, [ignore], [ignore])
+
 AT_CLEANUP
+
+
+AT_SETUP([Standard Options - element database with Undo])
+AT_XFAIL_IF([/bin/true])
+AT_KEYWORDS([options])
+
+AT_DATA([elements.db], [[#  Covalent  radius  of  each  element in  Angstroem from  CSD (binding  is: [Rcov(A)+Rcov(B)-t,Rcov(A)+Rcov(B)+t] with  t = 0.4A
+#Element  Name  Symbol  Period  Group Block Atomic  Number  AtomicWeight  Covalent  Radius  vdW Radius
+Hydrogen  H 1 1 s 1 1.008 0.23  1.09
+Helium  He  1 18  p 2 4.003 1.5 1.4
+]])
+AT_CHECK([../../molecuilder -i test.conf -e ./ --undo], 0, [stdout], [stderr])
+AT_CHECK([grep -E "Using.*as elements database." stdout], 0, [ignore], [ignore])
+AT_CHECK([fgrep "Element list loaded successfully." stdout], 0, [ignore], [ignore])
+AT_CHECK([fgrep "Something went wrong while parsing the other databases!" stderr], 0, [ignore], [ignore])
+
+AT_CLEANUP
+
+
+AT_SETUP([Standard Options - element database with Redo])
+AT_XFAIL_IF([/bin/true])
+AT_KEYWORDS([options])
+
+AT_DATA([elements.db], [[#  Covalent  radius  of  each  element in  Angstroem from  CSD (binding  is: [Rcov(A)+Rcov(B)-t,Rcov(A)+Rcov(B)+t] with  t = 0.4A
+#Element  Name  Symbol  Period  Group Block Atomic  Number  AtomicWeight  Covalent  Radius  vdW Radius
+Hydrogen  H 1 1 s 1 1.008 0.23  1.09
+Helium  He  1 18  p 2 4.003 1.5 1.4
+]])
+AT_CHECK([../../molecuilder -i test.conf -e ./ --undo --redo], 0, [stdout], [stderr])
+AT_CHECK([grep -E "Using.*as elements database." stdout], 0, [ignore], [ignore])
+AT_CHECK([fgrep "Element list loaded successfully." stdout], 0, [ignore], [ignore])
+AT_CHECK([fgrep "Something went wrong while parsing the other databases!" stderr], 0, [ignore], [ignore])
+
+AT_CLEANUP

tests/regression/Options/FastParsing/testsuite-options-fast-parsing.at

@@ -3 +3 @@
 AT_SETUP([Standard Options - fast trajectories])
 AT_KEYWORDS([options])
+
 AT_CHECK([../../molecuilder -i test.conf -n 1], 0, [stdout], [stderr])
 AT_CHECK([fgrep "I won't parse trajectories" stdout], 0, [ignore], [ignore])
+
 AT_CLEANUP
 
-AT_SETUP([Standard Options - fast trajectories with Undo/Redo])
+AT_SETUP([Standard Options - fast trajectories with Undo])
 AT_KEYWORDS([options])
+
 AT_CHECK([../../molecuilder -i test.conf -n 1 --undo], 0, [stdout], [stderr])
 AT_CHECK([fgrep "I will parse trajectories." stdout], 0, [ignore], [ignore])
+
+AT_CLEANUP
+
+
+AT_SETUP([Standard Options - fast trajectories with Redo])
+AT_KEYWORDS([options])
+
 AT_CHECK([../../molecuilder -i test.conf -n 1 --undo --redo], 0, [stdout], [stderr])
 AT_CHECK([grep -c "I won't parse trajectories" stdout], 0, 2
 , [ignore])
+
 AT_CLEANUP

tests/regression/Options/Help/testsuite-options-help.at

@@ -3 +3 @@
 AT_SETUP([Standard Options - help])
 AT_KEYWORDS([options])
+
 AT_CHECK([../../molecuilder -h], 0, [stdout], [ignore])
 AT_CHECK([fgrep "list of all available Actions" stdout], 0, [ignore], [ignore])
@@ -11 +12 @@
 AT_CHECK([../../molecuilder --help --actionname "help"], 0, [stdout], [ignore])
 AT_CHECK([fgrep "Options available for action 'help'" stdout], 0, [ignore], [ignore])
+
 AT_CLEANUP

tests/regression/Options/SetDefaultName/testsuite-options-set-default-name.at

@@ -3 +3 @@
 AT_SETUP([Standard Options - molecule default name])
 AT_KEYWORDS([options])
+
 AT_CHECK([../../molecuilder -i test.conf -X test], 0, [stdout], [stderr])
 AT_CHECK([fgrep "Default name of new molecules set to test." stdout], 0, [ignore], [ignore])
+
 AT_CLEANUP
 
-AT_SETUP([Standard Options - molecule default name with Undo/Redo])
+AT_SETUP([Standard Options - molecule default name with Undo])
 AT_KEYWORDS([options])
 AT_CHECK([../../molecuilder -i test.conf -X test --undo], 0, [stdout], [stderr])
 AT_CHECK([fgrep "Default name of new molecules set to none." stdout], 0, [ignore], [ignore])
+
+AT_CLEANUP
+
+
+AT_SETUP([Standard Options - molecule default name with Redo])
+AT_KEYWORDS([options])
+
 AT_CHECK([../../molecuilder -i test.conf -X test --undo --redo], 0, [stdout], [stderr])
 AT_CHECK([fgrep "Default name of new molecules set to test." stdout], 0, [ignore], [ignore])
+
 AT_CLEANUP

tests/regression/Options/SetWorldTime/testsuite-options-set-world-time.at

@@ -1 +1 @@
 ### molecule default name
 
-AT_SETUP([Standard Options - set world time with Undo/Redo])
+AT_SETUP([Standard Options - set world time])
 AT_KEYWORDS([options])
+
 AT_CHECK([../../molecuilder --set-world-time 10], 0, [stdout], [stderr])
 AT_CHECK([fgrep "Current time step is now: 10" stdout], 0, [ignore], [ignore])
+
+AT_CLEANUP
+
+
+AT_SETUP([Standard Options - set world time with Undo])
+AT_KEYWORDS([options])
+
 AT_CHECK([../../molecuilder --set-world-time 10 --undo], 0, [stdout], [stderr])
 AT_CHECK([fgrep "Current time step is now again: 0" stdout], 0, [ignore], [ignore])
+
+AT_CLEANUP
+
+
+AT_SETUP([Standard Options - set world time with Redo])
+AT_KEYWORDS([options])
+
 AT_CHECK([../../molecuilder --set-world-time 10 --undo --redo], 0, [stdout], [stderr])
 AT_CHECK([fgrep "Current time step is now: 10" stdout], 0, [ignore], [ignore])
+
 AT_CLEANUP

tests/regression/Options/Verbosity/testsuite-options-verbosity.at

@@ -1 +1 @@
 ### verbosity
 
-AT_SETUP([Standard Options - verbosity with Undo/Redo])
+AT_SETUP([Standard Options - verbosity])
 AT_KEYWORDS([options])
-AT_CHECK([pwd],[ignore],[ignore])
+
 AT_CHECK([../../molecuilder -v 9], 0, [stdout], [ignore])
 AT_CHECK([grep "Setting verbosity from .* to 9" stdout], 0, [ignore], [ignore])
+
+AT_CLEANUP
+
+
+AT_SETUP([Standard Options - verbosity with Undo])
+AT_KEYWORDS([options])
+
 AT_CHECK([../../molecuilder -v 9 --undo], 0, [stdout], [ignore])
 AT_CHECK([grep "Setting verbosity from 9 to .*" stdout], 0, [ignore], [ignore])
+
+AT_CLEANUP
+
+
+AT_SETUP([Standard Options - verbosity with Redo])
+AT_KEYWORDS([options])
+
 AT_CHECK([../../molecuilder -v 9 --undo --redo], 0, [stdout], [ignore])
 AT_CHECK([grep "Setting verbosity from .* to 9" stdout], 0, [ignore], [ignore])
+
 AT_CLEANUP