Ignore:
Timestamp:
Sep 21, 2011, 8:40:59 PM (13 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:
d70fff
Parents:
93eb00
git-author:
Frederik Heber <heber@…> (04/27/11 17:02:43)
git-committer:
Frederik Heber <heber@…> (09/21/11 20:40:59)
Message:

Removed CheckCommand.sh in Selection/Molecules.

  • multiple inclusion is currently not handled by autoconf in test part.
File:
1 edited

Legend:

Unmodified
Added
Removed

  • tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-molecule-by-id.at

    r93eb00 r7c958e  
    44AT_SETUP([Selection - Molecule by id])
    55AT_KEYWORDS([selection,molecule])
    6 # some variables before
    7 srcpath="Selection/Molecules/MoleculeById"
     6
     7regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeById"
    88srcfile=box.xyz
    9 m4_include(CheckCommand.sh)
    10 # the tests
    11 check_command_output $srcpath $srcfile "water_id4.xyz" "-I --select-molecule-by-id 4 -s water_id4.xyz"
    12 mv water_id4.xyz water_id4_a.xyz
    13 check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-id 4 --undo -s empty.xyz"
    14 check_command_output $srcpath $srcfile "water_id4.xyz" "-I --select-molecule-by-id 4 --undo --redo -s water_id4.xyz"
    15 mv water_id4.xyz water_id4_b.xyz
    16 AT_CHECK([diff -I '.*Created by molecuilder.*' water_id4_a.xyz water_id4_b.xyz], 0, [ignore], [ignore])
     9testfile=test.xyz
     10targetfile=water_id4.xyz
     11AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     12AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-id 4 -s $targetfile], 0, [stdout], [stderr])
     13AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     14
    1715AT_CLEANUP
     16
     17
     18AT_SETUP([Selection - Molecule by id with Undo])
     19AT_KEYWORDS([selection,molecule])
     20
     21regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeById"
     22srcfile=box.xyz
     23testfile=test.xyz
     24targetfile=empty.xyz
     25AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     26AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-id 4 --undo -s $targetfile], 0, [stdout], [stderr])
     27AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     28
     29AT_CLEANUP
     30
     31
     32AT_SETUP([Selection - Molecule by id with Redo])
     33AT_KEYWORDS([selection,molecule])
     34
     35regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeById"
     36srcfile=box.xyz
     37testfile=test.xyz
     38targetfile=water_id4.xyz
     39AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     40AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-id 4 --undo --redo -s $targetfile], 0, [stdout], [stderr])
     41AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     42
     43AT_CLEANUP
     44
    1845
    1946AT_SETUP([Unselection - Molecule by id])
    2047AT_KEYWORDS([selection,molecule])
    21 # some variables before
    22 srcpath="Selection/Molecules/MoleculeById"
     48
     49regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeById"
    2350srcfile=box.xyz
    24 m4_include(CheckCommand.sh)
    25 # the tests
    26 check_command_output $srcpath $srcfile "id4_missing.xyz" "-I --select-all-molecules --unselect-molecule-by-id 4 -s id4_missing.xyz"
    27 mv id4_missing.xyz id4_missing_a.xyz
    28 check_command_output $srcpath $srcfile "box.xyz" "-I --select-all-molecules --unselect-molecule-by-id 4 --undo -s box.xyz"
    29 check_command_output $srcpath $srcfile "id4_missing.xyz" "-I --select-all-molecules --unselect-molecule-by-id 4 --undo --redo -s id4_missing.xyz"
    30 mv id4_missing.xyz id4_missing_b.xyz
    31 AT_CHECK([diff -I '.*Created by molecuilder.*' id4_missing_a.xyz id4_missing_b.xyz], 0, [ignore], [ignore])
     51testfile=test.xyz
     52targetfile=id4_missing.xyz
     53AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     54AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-id 4 -s $targetfile], 0, [stdout], [stderr])
     55AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     56
    3257AT_CLEANUP
     58
     59
     60AT_SETUP([Unselection - Molecule by id with Undo])
     61AT_KEYWORDS([selection,molecule])
     62
     63regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeById"
     64srcfile=box.xyz
     65testfile=test.xyz
     66targetfile=box.xyz
     67AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     68AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-id 4 --undo -s $targetfile], 0, [stdout], [stderr])
     69AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     70
     71AT_CLEANUP
     72
     73
     74AT_SETUP([Unselection - Molecule by id with Redo])
     75AT_KEYWORDS([selection,molecule])
     76
     77regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeById"
     78srcfile=box.xyz
     79testfile=test.xyz
     80targetfile=id4_missing.xyz
     81AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     82AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-id 4 --undo --redo -s $targetfile], 0, [stdout], [stderr])
     83AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     84
     85AT_CLEANUP
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