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/MoleculeByName/testsuite-selection-molecules-by-name.at

    r93eb00 r7c958e  
    33AT_SETUP([Selection - Molecules by name])
    44AT_KEYWORDS([selection,molecule])
    5 # some variables before
    6 srcpath="Selection/Molecules/MoleculeByName"
     5
     6regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByName"
    77srcfile=test.xyz
    8 m4_include(CheckCommand.sh)
    9 # the tests
    10 check_command_output $srcpath $srcfile "water.xyz" "-I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecule-by-id 0 --select-molecules-by-name water -s water.xyz"
    11 mv water.xyz water_a.xyz
    12 check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecule-by-id 0 --select-molecules-by-name water --undo -s empty.xyz"
    13 check_command_output $srcpath $srcfile "water.xyz" "-I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecule-by-id 0 --select-molecules-by-name water --undo --redo -s water.xyz"
    14 mv water.xyz water_b.xyz
    15 AT_CHECK([diff -I '.*Created by molecuilder.*' water_a.xyz water_b.xyz], 0, [ignore], [ignore])
     8testfile=test.xyz
     9targetfile=water.xyz
     10AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     11AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecule-by-id 0 --select-molecules-by-name \"water\" -s $targetfile], 0, [stdout], [stderr])
     12AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     13
    1614AT_CLEANUP
     15
     16
     17AT_SETUP([Selection - Molecules by name with Undo])
     18AT_KEYWORDS([selection,molecule])
     19
     20regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByName"
     21srcfile=test.xyz
     22testfile=test.xyz
     23targetfile=empty.xyz
     24AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     25AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecule-by-id 0 --select-molecules-by-name \"water\" --undo -s $targetfile], 0, [stdout], [stderr])
     26AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     27
     28AT_CLEANUP
     29
     30
     31AT_SETUP([Selection - Molecules by name with Redo])
     32AT_KEYWORDS([selection,molecule])
     33
     34regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByName"
     35srcfile=test.xyz
     36testfile=test.xyz
     37targetfile=water.xyz
     38AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     39AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecule-by-id 0 --select-molecules-by-name \"water\" --undo --redo -s $targetfile], 0, [stdout], [stderr])
     40AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     41
     42AT_CLEANUP
     43
    1744
    1845AT_SETUP([Unselection - Molecules by name])
    1946AT_KEYWORDS([selection,molecule])
    20 # some variables before
    21 srcpath="Selection/Molecules/MoleculeByName"
     47
     48regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByName"
    2249srcfile=test.xyz
    23 m4_include(CheckCommand.sh)
    24 # the tests
    25 check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecules-by-name water -s empty.xyz"
    26 mv empty.xyz empty_a.xyz
    27 check_command_output $srcpath $srcfile "water.xyz" "-I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecules-by-name water --undo -s water.xyz"
    28 check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecules-by-name water --undo --redo -s empty.xyz"
    29 mv empty.xyz empty_b.xyz
    30 AT_CHECK([diff -I '.*Created by molecuilder.*' empty_a.xyz empty_b.xyz], 0, [ignore], [ignore])
     50testfile=test.xyz
     51targetfile=empty.xyz
     52AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     53AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecules-by-name \"water\" -s $targetfile], 0, [stdout], [stderr])
     54AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     55
    3156AT_CLEANUP
     57
     58
     59AT_SETUP([Unselection - Molecules by name with Undo])
     60AT_KEYWORDS([selection,molecule])
     61
     62regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByName"
     63srcfile=test.xyz
     64testfile=test.xyz
     65targetfile=water.xyz
     66AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     67AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecules-by-name \"water\" --undo -s $targetfile], 0, [stdout], [stderr])
     68AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     69
     70AT_CLEANUP
     71
     72
     73AT_SETUP([Unselection - Molecules by name with Redo])
     74AT_KEYWORDS([selection,molecule])
     75
     76regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByName"
     77srcfile=test.xyz
     78testfile=test.xyz
     79targetfile=empty.xyz
     80AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     81AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecules-by-name \"water\" --undo --redo -s $targetfile], 0, [stdout], [stderr])
     82AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     83
     84AT_CLEANUP
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