Changeset 2700983


Ignore:
Timestamp:
Feb 7, 2011, 10:25:51 AM (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:
b5ad39
Parents:
d445e4
git-author:
Frederik Heber <heber@…> (02/02/11 17:35:28)
git-committer:
Frederik Heber <heber@…> (02/07/11 10:25:51)
Message:

Extended regression testsuite structure of Options from standard_options.

  • most of the stuff is from standard_options, placed each into own folder and each test into its own module.
Location:
tests/regression
Files:
10 added
3 edited
2 moved

Legend:

Unmodified
Added
Removed

  • tests/regression/Makefile.am

    rd445e4 r2700983  
    6868        $(srcdir)/testsuite-simple_configuration.at \
    6969        $(srcdir)/Options/testsuite-options.at \
     70        $(srcdir)/Options/Verbosity/testsuite-options-verbosity.at \
     71        $(srcdir)/Options/Warranty/testsuite-options-warranty.at \
     72        $(srcdir)/Options/Help/testsuite-options-help.at \
     73        $(srcdir)/Options/ElementsDb/testsuite-options-no-elements-db.at \
     74        $(srcdir)/Options/ElementsDb/testsuite-options-elements-db.at \
     75        $(srcdir)/Options/BondLengthTable/testsuite-options-bond-length-table.at \
     76        $(srcdir)/Options/FastParsing/testsuite-options-fast-parsing.at \
     77        $(srcdir)/Options/SetDefaultName/testsuite-options-set-default-name.at \
     78        $(srcdir)/Options/Empty/testsuite-options-empty-configs.at \
     79        $(srcdir)/Options/InvalidCommands/testsuite-options-invalid-commands.at \
    7080        $(srcdir)/Parser/testsuite-parser.at \
    7181        $(srcdir)/Parser/Mpqc/testsuite-parser-mpqc.at \

  • tests/regression/Options/testsuite-options.at

    rd445e4 r2700983  
    11AT_BANNER([MoleCuilder - standard options])
    2 # 1. verbosity
    3 AT_SETUP([Standard Options - verbosity with Undo/Redo])
    4 AT_KEYWORDS([options])
    5 AT_CHECK([pwd],[ignore],[ignore])
    6 AT_CHECK([../../molecuilder -v 9], 0, [stdout], [ignore])
    7 AT_CHECK([grep "Setting verbosity from .* to 9" stdout], 0, [ignore], [ignore])
    8 AT_CHECK([../../molecuilder -v 9 --undo], 0, [stdout], [ignore])
    9 AT_CHECK([grep "Setting verbosity from 9 to .*" stdout], 0, [ignore], [ignore])
    10 AT_CHECK([../../molecuilder -v 9 --undo --redo], 0, [stdout], [ignore])
    11 AT_CHECK([grep "Setting verbosity from .* to 9" stdout], 0, [ignore], [ignore])
    12 AT_CLEANUP
    132
    14 # 2. help screen
    15 AT_SETUP([Standard Options - help screen])
    16 AT_KEYWORDS([options])
    17 AT_CHECK([../../molecuilder -h], 0, [stdout], [ignore])
    18 AT_CHECK([fgrep "help screen" stdout], 0, [ignore], [ignore])
    19 AT_CHECK([../../molecuilder --help], 0, [stdout], [ignore])
    20 AT_CHECK([fgrep "help screen" stdout], 0, [ignore], [ignore])
    21 AT_CLEANUP
    22 AT_SETUP([Standard Options - warranty screen])
    23 AT_KEYWORDS([options])
    24 AT_CHECK([../../molecuilder --warranty], 0, [stdout], [ignore])
    25 AT_CHECK([fgrep "statement concerning warranty" stdout], 0, [ignore], [ignore])
    26 AT_CHECK([fgrep "WITHOUT ANY WARRANTY" stdout], 0, [ignore], [ignore])
    27 AT_CLEANUP
     3# verbosity
     4m4_include([Options/Verbosity/testsuite-options-verbosity.at])
    285
    29 # 3. no element database
    30 AT_SETUP([Standard Options - no element database])
    31 AT_KEYWORDS([options])
    32 AT_CHECK([../../molecuilder -e], 134, [ignore], [stderr])
    33 AT_CLEANUP
     6# warranty screen
     7m4_include([Options/Warranty/testsuite-options-warranty.at])
    348
    35 # 4. element database
    36 AT_SETUP([Standard Options - element database])
    37 AT_KEYWORDS([options])
    38 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
    39 #Element        Name    Symbol  Period  Group   Block   Atomic  Number  AtomicWeight    Covalent        Radius  vdW     Radius
    40 Hydrogen        H       1       1       s       1       1.008   0.23    1.09
    41 Helium  He      1       18      p       2       4.003   1.5     1.4
    42 ]])
    43 AT_CHECK([../../molecuilder -i test.conf -e ./], 0, [stdout], [stderr])
    44 AT_CHECK([grep -E "Using.*as elements database." stdout], 0, [ignore], [ignore])
    45 AT_CHECK([fgrep "Element list loaded successfully." stdout], 0, [ignore], [ignore])
    46 AT_CHECK([fgrep "Something went wrong while parsing the other databases!" stderr], 0, [ignore], [ignore])
    47 AT_CLEANUP
     9# help screen
     10m4_include([Options/Help/testsuite-options-help.at])
    4811
    49 # 5. bond length database
    50 AT_SETUP([Standard Options - bond length table])
    51 AT_KEYWORDS([options])
    52 AT_DATA([bondlength.db], [[# bond length database
    53         1       2
    54 1       1.      0.
    55 2       0.      0.
    56 ]])
    57 AT_CHECK([../../molecuilder -i test.conf -g bondlength.db], 0, [stdout], [stderr])
    58 AT_CHECK([grep -E "Using.*as bond length table." stdout], 0, [ignore], [ignore])
    59 AT_CLEANUP
     12# element database
     13m4_include([Options/ElementsDb/testsuite-options-no-elements-db.at])
     14m4_include([Options/ElementsDb/testsuite-options-elements-db.at])
    6015
    61 # 6. fast trajectories
    62 AT_SETUP([Standard Options - fast trajectories])
    63 AT_KEYWORDS([options])
    64 AT_CHECK([../../molecuilder -i test.conf -n 1], 0, [stdout], [stderr])
    65 AT_CHECK([fgrep "I won't parse trajectories" stdout], 0, [ignore], [ignore])
    66 AT_CLEANUP
    67 AT_SETUP([Standard Options - fast trajectories with Undo/Redo])
    68 AT_KEYWORDS([options])
    69 AT_CHECK([../../molecuilder -i test.conf -n 1 --undo], 0, [stdout], [stderr])
    70 AT_CHECK([fgrep "I will parse trajectories." stdout], 0, [ignore], [ignore])
    71 AT_CHECK([../../molecuilder -i test.conf -n 1 --undo --redo], 0, [stdout], [stderr])
    72 AT_CHECK([grep -c "I won't parse trajectories" stdout], 0, 2
    73 , [ignore])
    74 AT_CLEANUP
     16# bond length database
     17m4_include([Options/BondLengthTable/testsuite-options-bond-length-table.at])
    7518
    76 # 7. molecule default name
    77 AT_SETUP([Standard Options - molecule default name])
    78 AT_KEYWORDS([options])
    79 AT_CHECK([../../molecuilder -i test.conf -X test], 0, [stdout], [stderr])
    80 AT_CHECK([fgrep "Default name of new molecules set to test." stdout], 0, [ignore], [ignore])
    81 AT_CLEANUP
    82 AT_SETUP([Standard Options - molecule default name with Undo/Redo])
    83 AT_KEYWORDS([options])
    84 AT_CHECK([../../molecuilder -i test.conf -X test --undo], 0, [stdout], [stderr])
    85 AT_CHECK([fgrep "Default name of new molecules set to none." stdout], 0, [ignore], [ignore])
    86 AT_CHECK([../../molecuilder -i test.conf -X test --undo --redo], 0, [stdout], [stderr])
    87 AT_CHECK([fgrep "Default name of new molecules set to test." stdout], 0, [ignore], [ignore])
    88 AT_CLEANUP
     19# fast trajectory parsing
     20m4_include([Options/FastParsing/testsuite-options-fast-parsing.at])
     21
     22# molecule default name
     23m4_include([Options/SetDefaultName/testsuite-options-set-default-name.at])
     24
     25# test that all desire parameters and count how many complain
     26m4_include([Options/Empty/testsuite-options-empty-configs.at])
     27
     28# test that all need parameters and count how many complain
     29m4_include([Options/InvalidCommands/testsuite-options-invalid-commands.at])
     30

  • tests/regression/testsuite-simple_configuration.at

    rd445e4 r2700983  
    1010AT_CLEANUP
    1111
    12 # 6. test some more configuration that all desire parameters and count how many complain
    13 AT_SETUP([Simple configuration - invalid commands on empty configs])
    14 AT_KEYWORDS([configuration])
    15 AT_CHECK([../../molecuilder -i empty.conf  -t -s -b -E -c -b -a -U -T -u], 134, [ignore], [stderr])
    16 AT_CLEANUP
    17 
    18 # 7. test some more configuration that all need parameters and count how many complain
    19 AT_SETUP([Simple configuration - invalid commands on present configs])
    20 AT_KEYWORDS([configuration])
    21 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/7/pre/test.conf .], 0)
    22 AT_CHECK([../../molecuilder -i test.conf  -t], 134, [ignore], [stderr])
    23 AT_CHECK([../../molecuilder -i test.conf  -s -b -E -c -b -a -U -T -u], 134, [ignore], [stderr])
    24 AT_CHECK([../../molecuilder -i test.conf  -b -E -c -b -a -U -T -u], 134, [ignore], [stderr])
    25 AT_CHECK([../../molecuilder -i test.conf  -E -c -b -a -U -T -u], 134, [ignore], [stderr])
    26 AT_CHECK([../../molecuilder -i test.conf  -c -b -a -U -T -u], 134, [ignore], [stderr])
    27 AT_CHECK([../../molecuilder -i test.conf  -b -a -U -T -u], 134, [ignore], [stderr])
    28 AT_CHECK([../../molecuilder -i test.conf  -a -U -T -u], 134, [ignore], [stderr])
    29 AT_CHECK([../../molecuilder -i test.conf  -U -T -u], 134, [ignore], [stderr])
    30 AT_CHECK([../../molecuilder -i test.conf  -T -u], 134, [ignore], [stderr])
    31 AT_CHECK([../../molecuilder -i test.conf  -u], 134, [ignore], [stderr])
    32 AT_CLEANUP
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