Changeset b10593 for tests/GuiChecks


Ignore:
Timestamp:
Jul 12, 2017, 7:11:51 PM (8 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
Action_Thermostats, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Exclude_Hydrogens_annealWithBondGraph, Fix_Verbose_Codepatterns, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PythonUI_with_named_parameters, Recreated_GuiChecks, StoppableMakroAction, TremoloParser_IncreasedPrecision
Children:
7516f6
Parents:
ecacf0
git-author:
Frederik Heber <frederik.heber@…> (07/07/17 13:22:34)
git-committer:
Frederik Heber <frederik.heber@…> (07/12/17 19:11:51)
Message:

Recreated all GuiChecks.

  • GuiChecks lacked difffragmentresultcontainer, refers to the one compiled in regression.
Location:
tests/GuiChecks
Files:
7 added
10 edited

Legend:

Unmodified
Added
Removed
  • tests/GuiChecks/Atoms/testsuite-atoms.at

    recacf0 rb10593  
    4949m4_include([Atoms/Saturate/testsuite-atoms-saturate-atoms-nitrogen.at])
    5050m4_include([Atoms/Saturate/testsuite-atoms-saturate-atoms-bonded_atoms.at])
     51
     52# mirror atoms
     53m4_include([Atoms/RandomPerturbation/testsuite-atoms-random-perturbation.at])
  • tests/GuiChecks/Fragmentation/ParseSaveFragmentResults/testsuite-fragmentation-parse-save-fragment-results.at

    recacf0 rb10593  
    3535AT_CHECK([../../molecuilderguitest session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
    3636# we ignore white space changes (also missing new line on end of last line)
    37 AT_CHECK([diff -Z $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [
    38         AT_CHECK([diff -Z $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [
    39                 AT_CHECK([diff -Z $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore])
     37AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [
     38        AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [
     39                AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore])
    4040        ])
    4141])
     
    4949AT_CHECK([grep -v "Command.*DryRun" session-fragmentation-parse-save-fragment-results.py >session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
    5050AT_CHECK([../../molecuilderguitest session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
    51 AT_CHECK([diff -Z $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [
    52         AT_CHECK([diff -Z $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [
    53                 AT_CHECK([diff -Z $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore])
     51AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [
     52        AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [
     53                AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore])
    5454        ])
    5555])
     
    6767AT_CHECK([../../molecuilderguitest session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
    6868# we ignore white space changes (also missing new line on end of last line)
    69 AT_CHECK([diff -Z $emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_longrange_enabled.dat], 0, [ignore], [ignore], [
    70         AT_CHECK([diff -Z $emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_longrange_disabled.dat], 0, [ignore], [ignore], [
    71                 AT_CHECK([diff -Z $emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_jobmarkt_disabled.dat], 0, [ignore], [ignore])
     69AT_CHECK([../../difffragmentresultcontainer $emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_longrange_enabled.dat], 0, [ignore], [ignore], [
     70        AT_CHECK([../../difffragmentresultcontainer $emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_longrange_disabled.dat], 0, [ignore], [ignore], [
     71                AT_CHECK([../../difffragmentresultcontainer $emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_jobmarkt_disabled.dat], 0, [ignore], [ignore])
    7272        ])
    7373])
     
    8585AT_CHECK([../../molecuilderguitest session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
    8686# we ignore white space changes (also missing new line on end of last line)
    87 AT_CHECK([diff -Z $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [
    88         AT_CHECK([diff -Z $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [
    89                 AT_CHECK([diff -Z $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore])
     87AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [
     88        AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [
     89                AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore])
    9090        ])
    9191])
  • tests/GuiChecks/Geometry/testsuite-geometry-common.at

    recacf0 rb10593  
    2121AT_SETUP([Geometry - automatically added geometry names])
    2222AT_KEYWORDS([geometry])
    23 AT_CHECK([../../molecuilder --dry-run --input-to-vector "zeroVector" --position "0,0,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
     23AT_CHECK([../../molecuilder --dry-run --input-to-vector "zeroVector" --coordinates "0,0,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
    2424AT_CHECK([grep -v "Command.*DryRun" session-geometry-common.py >session-geometry-common_new.py], 0, [ignore], [ignore])
    2525AT_CHECK([../../molecuilderguitest session-geometry-common_new.py], 5, [ignore], [ignore])
    26 AT_CHECK([../../molecuilder --dry-run --input-to-vector "unitVectorX" --position "1,0,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
     26AT_CHECK([../../molecuilder --dry-run --input-to-vector "unitVectorX" --coordinates "1,0,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
    2727AT_CHECK([grep -v "Command.*DryRun" session-geometry-common.py >session-geometry-common_new.py], 0, [ignore], [ignore])
    2828AT_CHECK([../../molecuilderguitest session-geometry-common_new.py], 5, [ignore], [ignore])
    29 AT_CHECK([../../molecuilder --dry-run --input-to-vector "unitVectorY" --position "0,1,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
     29AT_CHECK([../../molecuilder --dry-run --input-to-vector "unitVectorY" --coordinates "0,1,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
    3030AT_CHECK([grep -v "Command.*DryRun" session-geometry-common.py >session-geometry-common_new.py], 0, [ignore], [ignore])
    3131AT_CHECK([../../molecuilderguitest session-geometry-common_new.py], 5, [ignore], [ignore])
    32 AT_CHECK([../../molecuilder --dry-run --input-to-vector "unitVectorZ" --position "0,0,1" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
     32AT_CHECK([../../molecuilder --dry-run --input-to-vector "unitVectorZ" --coordinates "0,0,1" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
    3333AT_CHECK([grep -v "Command.*DryRun" session-geometry-common.py >session-geometry-common_new.py], 0, [ignore], [ignore])
    3434AT_CHECK([../../molecuilderguitest session-geometry-common_new.py], 5, [ignore], [ignore])
     
    3838AT_SETUP([Geometry - illegal geometry names])
    3939AT_KEYWORDS([geometry])
    40 AT_CHECK([../../molecuilder --dry-run --input-to-vector "0,0,0" --position "0,0,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
     40AT_CHECK([../../molecuilder --dry-run --input-to-vector "0,0,0" --coordinates "0,0,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
    4141AT_CHECK([grep -v "Command.*DryRun" session-geometry-common.py >session-geometry-common_new.py], 0, [ignore], [ignore])
    4242AT_CHECK([../../molecuilderguitest session-geometry-common_new.py], 5, [ignore], [ignore])
    43 AT_CHECK([../../molecuilder --dry-run --input-to-vector "1" --position "1,0,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
     43AT_CHECK([../../molecuilder --dry-run --input-to-vector "1" --coordinates "1,0,0" --no-dry-run --store-session session-geometry-common.py --session-type python], 0, [ignore], [ignore])
    4444AT_CHECK([grep -v "Command.*DryRun" session-geometry-common.py >session-geometry-common_new.py], 0, [ignore], [ignore])
    4545AT_CHECK([../../molecuilderguitest session-geometry-common_new.py], 5, [ignore], [ignore])
  • tests/GuiChecks/Makefile.am

    recacf0 rb10593  
    2525        $(srcdir)/./Atoms/RemoveCuboid/testsuite-atoms-remove-cuboid.at \
    2626        $(srcdir)/./Atoms/TranslationToOrigin/testsuite-atoms-translation-to-origin.at \
     27        $(srcdir)/./Atoms/RandomPerturbation/testsuite-atoms-random-perturbation.at \
    2728        $(srcdir)/./Atoms/Saturate/testsuite-atoms-saturate-atoms-bonded_atoms.at \
    2829        $(srcdir)/./Atoms/Saturate/testsuite-atoms-saturate-atoms-carbon.at \
     
    7879        $(srcdir)/./Parser/Pdb/testsuite-parser-pdb-save.at \
    7980        $(srcdir)/./Parser/Tremolo/testsuite-parser-tremolo-load.at \
     81        $(srcdir)/./Parser/Tremolo/testsuite-parser-tremolo-load-multiple-timesteps.at \
    8082        $(srcdir)/./Parser/Tremolo/testsuite-parser-tremolo-load-multiply.at \
    8183        $(srcdir)/./Parser/Tremolo/testsuite-parser-tremolo-save-unique_usedfields.at \
     
    105107        $(srcdir)/./Domain/AddEmptyBoundary/testsuite-domain-add-empty-boundary.at \
    106108        $(srcdir)/./Selection/Atoms/testsuite-selection-atoms.at \
     109        $(srcdir)/./Selection/Atoms/AtomByName/testsuite-selection-unselect-atoms-by-name.at \
     110        $(srcdir)/./Selection/Atoms/AtomByName/testsuite-selection-select-atoms-by-name.at \
    107111        $(srcdir)/./Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id.at \
    108112        $(srcdir)/./Selection/Atoms/AtomById/testsuite-selection-select-atom-by-id.at \
     
    184188        $(srcdir)/./Molecules/SaveTemperature/testsuite-molecules-save-temperature.at \
    185189        $(srcdir)/./Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at \
     190        $(srcdir)/./Molecules/RotateAroundBond/testsuite-molecules-rotate-around-bond.at \
    186191        $(srcdir)/./Molecules/SaveAdjacency/testsuite-molecules-save-adjacency.at \
    187192        $(srcdir)/./Molecules/Translation-Periodic/testsuite-molecules-translation-periodic.at \
    188193        $(srcdir)/./Molecules/VerletIntegration/testsuite-molecules-verlet-integration.at \
    189194        $(srcdir)/./Molecules/Copy/testsuite-molecules-copy-molecule.at \
     195        $(srcdir)/./Molecules/StretchBond/testsuite-molecules-stretch-bond-cyclic_bond.at \
    190196        $(srcdir)/./Molecules/StretchBond/testsuite-molecules-stretch-bond.at \
    191197        $(srcdir)/./Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at \
     
    232238max_jobs = 8
    233239 
    234 guicheck: adjacencymatcher atlocal package.m4 molecuilder molecuilderguitest trianglematcher $(TESTSUITE)
     240guicheck: adjacencymatcher atlocal difffragmentresultcontainer molecuilder molecuilderguitest trianglematcher $(TESTSUITE)
    235241        nrjobs=; \
    236242        for flag in $$MAKEFLAGS; do \
     
    242248        $(SHELL) '$(TESTSUITE)' $$nrjobs AUTOTEST_PATH='$(abs_top_builddir)/src' $(TESTSUITEFLAGS)
    243249
    244 installguicheck: adjacencymatcher atconfig atlocal molecuilder molecuilderguitest trianglematcher $(TESTSUITE)
     250installguicheck: adjacencymatcher atconfig atlocal difffragmentresultcontainer molecuilder molecuilderguitest trianglematcher $(TESTSUITE)
    245251        nrjobs=; \
    246252        for flag in $$MAKEFLAGS; do \
  • tests/GuiChecks/Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at

    recacf0 rb10593  
    5757
    5858AT_SETUP([Molecules - Rotate to PAS with Undo])
    59 AT_XFAIL_IF([/bin/true])
    6059AT_KEYWORDS([molecules rotate-to-principal-axis-system undo])
    6160
     
    9695
    9796AT_SETUP([Molecules - Rotate to PAS with Redo])
    98 AT_XFAIL_IF([/bin/true])
    9997AT_KEYWORDS([molecules rotate-to-principal-axis-system redo])
    10098
  • tests/GuiChecks/Molecules/testsuite-molecules.at

    recacf0 rb10593  
    6060m4_include([Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at])
    6161
     62# rotate around one of its bond
     63m4_include([Molecules/RotateAroundBond/testsuite-molecules-rotate-around-bond.at])
     64
    6265# Rotate around origin
    6366m4_include([Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at])
     
    6871# stretch one of its bond
    6972m4_include([Molecules/StretchBond/testsuite-molecules-stretch-bond.at])
     73m4_include([Molecules/StretchBond/testsuite-molecules-stretch-bond-cyclic_bond.at])
    7074
    7175# anneal forces by one step
  • tests/GuiChecks/Parser/testsuite-parser.at

    recacf0 rb10593  
    6666m4_include([Parser/Tremolo/testsuite-parser-tremolo-improper.at])
    6767m4_include([Parser/Tremolo/testsuite-parser-tremolo-load.at])
     68m4_include([Parser/Tremolo/testsuite-parser-tremolo-load-multiple-timesteps.at])
    6869m4_include([Parser/Tremolo/testsuite-parser-tremolo-load-multiply.at])
    6970m4_include([Parser/Tremolo/testsuite-parser-tremolo-save.at])
  • tests/GuiChecks/Selection/Atoms/testsuite-selection-atoms.at

    recacf0 rb10593  
    3838m4_include(Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id-multiple.at)
    3939
     40# (un)select atoms by name
     41m4_include(Selection/Atoms/AtomByName/testsuite-selection-select-atoms-by-name.at)
     42m4_include(Selection/Atoms/AtomByName/testsuite-selection-unselect-atoms-by-name.at)
     43
    4044# (un)select atom by order
    4145m4_include(Selection/Atoms/AtomByOrder/testsuite-selection-select-atom-by-order.at)
  • tests/GuiChecks/WorldTime/StepWorldTime/testsuite-worldtime-step-world-time.at

    recacf0 rb10593  
    2121AT_KEYWORDS([worldtime step-world-time set-world-time])
    2222
    23 AT_CHECK([../../molecuilder --dry-run --step-world-time --steps-forward 1 --no-dry-run --store-session session-worldtime-step-world-time.py --session-type python], 0, [stdout], [stderr])
     23AT_CHECK([../../molecuilder --dry-run --step-world-time 1 --no-dry-run --store-session session-worldtime-step-world-time.py --session-type python], 0, [stdout], [stderr])
    2424AT_CHECK([grep -v "Command.*DryRun" session-worldtime-step-world-time.py >session-worldtime-step-world-time_new.py], 0, [ignore], [ignore])
    2525AT_CHECK([../../molecuilderguitest session-worldtime-step-world-time_new.py], 0, [stdout], [stderr])
    26 AT_CHECK([../../molecuilder --dry-run --set-world-time 4 --step-world-time --steps-backward 2 --no-dry-run --store-session session-worldtime-step-world-time.py --session-type python], 0, [stdout], [stderr])
     26AT_CHECK([../../molecuilder --dry-run --set-world-time 4 --step-world-time -2 --no-dry-run --store-session session-worldtime-step-world-time.py --session-type python], 0, [stdout], [stderr])
    2727AT_CHECK([grep -v "Command.*DryRun" session-worldtime-step-world-time.py >session-worldtime-step-world-time_new.py], 0, [ignore], [ignore])
    2828AT_CHECK([../../molecuilderguitest session-worldtime-step-world-time_new.py], 0, [stdout], [stderr])
    2929# stepping back too far fails
    30 AT_CHECK([../../molecuilder --dry-run --set-world-time 1 --step-world-time --steps-backward 2 --no-dry-run --store-session session-worldtime-step-world-time.py --session-type python], 0, [stdout], [stderr])
     30AT_CHECK([../../molecuilder --dry-run --set-world-time 1 --step-world-time -2 --no-dry-run --store-session session-worldtime-step-world-time.py --session-type python], 0, [stdout], [stderr])
    3131AT_CHECK([grep -v "Command.*DryRun" session-worldtime-step-world-time.py >session-worldtime-step-world-time_new.py], 0, [ignore], [ignore])
    3232AT_CHECK([../../molecuilderguitest session-worldtime-step-world-time_new.py], 5, [stdout], [stderr])
     
    3838AT_KEYWORDS([worldtime step-world-time set-world-time undo])
    3939
    40 AT_CHECK([../../molecuilder --dry-run --set-world-time 2 --step-world-time --steps-backward  1 --undo --no-dry-run --store-session session-worldtime-step-world-time.py --session-type python], 0, [stdout], [stderr])
     40AT_CHECK([../../molecuilder --dry-run --set-world-time 2 --step-world-time -1 --undo --no-dry-run --store-session session-worldtime-step-world-time.py --session-type python], 0, [stdout], [stderr])
    4141AT_CHECK([grep -v "Command.*DryRun" session-worldtime-step-world-time.py >session-worldtime-step-world-time_new.py], 0, [ignore], [ignore])
    4242AT_CHECK([../../molecuilderguitest session-worldtime-step-world-time_new.py], 0, [stdout], [stderr])
     
    4747AT_KEYWORDS([worldtime step-world-time set-world-time undo redo])
    4848
    49 AT_CHECK([../../molecuilder --dry-run --set-world-time 2 --step-world-time --steps-backward 1 --undo --redo --no-dry-run --store-session session-worldtime-step-world-time.py --session-type python], 0, [stdout], [stderr])
     49AT_CHECK([../../molecuilder --dry-run --set-world-time 2 --step-world-time -1 --undo --redo --no-dry-run --store-session session-worldtime-step-world-time.py --session-type python], 0, [stdout], [stderr])
    5050AT_CHECK([grep -v "Command.*DryRun" session-worldtime-step-world-time.py >session-worldtime-step-world-time_new.py], 0, [ignore], [ignore])
    5151AT_CHECK([../../molecuilderguitest session-worldtime-step-world-time_new.py], 0, [stdout], [stderr])
  • tests/GuiChecks/atlocal.in

    recacf0 rb10593  
    11abs_top_srcdir='@abs_top_srcdir@'
     2topdir='@abs_top_builddir@'
    23valgrind='@VALGRIND@'
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