Ignore:
Timestamp:
Sep 21, 2011, 8:40:59 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:
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/MoleculeByOrder/testsuite-selection-molecule-by-order.at

    r93eb00 r7c958e  
    44AT_SETUP([Selection - Molecule by order, forward])
    55AT_KEYWORDS([selection,molecule])
    6 # some variables before
    7 srcpath="Selection/Molecules/MoleculeByOrder"
    8 srcfile=twowater.xyz
    9 m4_include(CheckCommand.sh)
    10 # the tests
    11 check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order 1 -s water_id0.xyz"
    12 check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order 2 -s water_id1.xyz"
    13 mv water_id0.xyz water_id0_a.xyz
    14 mv water_id1.xyz water_id1_a.xyz
    15 check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order 1 --undo -s empty.xyz"
    16 check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order 2 --undo -s empty.xyz"
    17 check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order 1 --undo --redo -s water_id0.xyz"
    18 check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order 2 --undo --redo -s water_id1.xyz"
    19 mv water_id0.xyz water_id0_b.xyz
    20 mv water_id1.xyz water_id1_b.xyz
    21 AT_CHECK([diff -I '.*Created by molecuilder.*' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
    22 AT_CHECK([diff -I '.*Created by molecuilder.*' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
    23 AT_CLEANUP
     6
     7regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     8srcfile=twowater.xyz
     9testfile=test.xyz
     10targetfile=water_id0.xyz
     11AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     12AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order 1 -s $targetfile], 0, [stdout], [stderr])
     13AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     14
     15regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     16srcfile=twowater.xyz
     17testfile=test.xyz
     18targetfile=water_id1.xyz
     19AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     20AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order 2 -s $targetfile], 0, [stdout], [stderr])
     21AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     22
     23AT_CLEANUP
     24
     25
     26AT_SETUP([Selection - Molecule by order, forward with Undo])
     27AT_KEYWORDS([selection,molecule])
     28
     29regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     30srcfile=twowater.xyz
     31testfile=test.xyz
     32targetfile=empty.xyz
     33AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     34AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order 1 --undo -s $targetfile], 0, [stdout], [stderr])
     35AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     36
     37regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     38srcfile=twowater.xyz
     39testfile=test.xyz
     40targetfile=empty.xyz
     41AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     42AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order 2 --undo -s $targetfile], 0, [stdout], [stderr])
     43AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     44
     45AT_CLEANUP
     46
     47
     48AT_SETUP([Selection - Molecule by order, forward with Redo])
     49AT_KEYWORDS([selection,molecule])
     50
     51regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     52srcfile=twowater.xyz
     53testfile=test.xyz
     54targetfile=water_id0.xyz
     55AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     56AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order 1 --undo --redo -s $targetfile], 0, [stdout], [stderr])
     57AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     58
     59regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     60srcfile=twowater.xyz
     61testfile=test.xyz
     62targetfile=water_id1.xyz
     63AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     64AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order 2 --undo --redo -s $targetfile], 0, [stdout], [stderr])
     65AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     66
     67AT_CLEANUP
     68
    2469
    2570AT_SETUP([Selection - Molecule by order, backward])
    2671AT_KEYWORDS([selection,molecule])
    27 # some variables before
    28 srcpath="Selection/Molecules/MoleculeByOrder"
    29 srcfile=twowater.xyz
    30 m4_include(CheckCommand.sh)
    31 # the tests
    32 check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order -2 -s water_id0.xyz"
    33 check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order -1 -s water_id1.xyz"
    34 mv water_id0.xyz water_id0_a.xyz
    35 mv water_id1.xyz water_id1_a.xyz
    36 check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order -2 --undo -s empty.xyz"
    37 check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order -1 --undo -s empty.xyz"
    38 check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order -2 --undo --redo -s water_id0.xyz"
    39 check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order -1 --undo --redo -s water_id1.xyz"
    40 mv water_id0.xyz water_id0_b.xyz
    41 mv water_id1.xyz water_id1_b.xyz
    42 AT_CHECK([diff -I '.*Created by molecuilder.*' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
    43 AT_CHECK([diff -I '.*Created by molecuilder.*' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
    44 AT_CLEANUP
     72
     73regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     74srcfile=twowater.xyz
     75testfile=test.xyz
     76targetfile=water_id0.xyz
     77AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     78AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order -2 -s $targetfile], 0, [stdout], [stderr])
     79AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     80
     81regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     82srcfile=twowater.xyz
     83testfile=test.xyz
     84targetfile=water_id1.xyz
     85AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     86AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order -1 -s $targetfile], 0, [stdout], [stderr])
     87AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     88
     89AT_CLEANUP
     90
     91
     92AT_SETUP([Selection - Molecule by order, backward with Undo])
     93AT_KEYWORDS([selection,molecule])
     94
     95regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     96srcfile=twowater.xyz
     97testfile=test.xyz
     98targetfile=empty.xyz
     99AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     100AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order -2 --undo -s $targetfile], 0, [stdout], [stderr])
     101AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     102
     103regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     104srcfile=twowater.xyz
     105testfile=test.xyz
     106targetfile=empty.xyz
     107AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     108AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order -1 --undo -s $targetfile], 0, [stdout], [stderr])
     109AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     110
     111AT_CLEANUP
     112
     113
     114AT_SETUP([Selection - Molecule by order, backward with Redo])
     115AT_KEYWORDS([selection,molecule])
     116
     117regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     118srcfile=twowater.xyz
     119testfile=test.xyz
     120targetfile=water_id0.xyz
     121AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     122AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order -2 --undo --redo -s $targetfile], 0, [stdout], [stderr])
     123AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     124
     125regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     126srcfile=twowater.xyz
     127testfile=test.xyz
     128targetfile=water_id1.xyz
     129AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     130AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order -1 --undo --redo -s $targetfile], 0, [stdout], [stderr])
     131AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     132
     133AT_CLEANUP
     134
    45135
    46136AT_SETUP([Unselection - Molecule by order, forward])
    47137AT_KEYWORDS([selection,molecule])
    48 # some variables before
    49 srcpath="Selection/Molecules/MoleculeByOrder"
    50 srcfile=twowater.xyz
    51 m4_include(CheckCommand.sh)
    52 # the tests
    53 check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order 1 -s water_id1.xyz"
    54 check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order 2 -s water_id0.xyz"
    55 mv water_id1.xyz water_id1_a.xyz
    56 mv water_id0.xyz water_id0_a.xyz
    57 check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order 1 --undo -s twowater.xyz"
    58 check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order 2 --undo -s twowater.xyz"
    59 check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order 1 --undo --redo -s water_id1.xyz"
    60 check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order 2 --undo --redo -s water_id0.xyz"
    61 mv water_id0.xyz water_id0_b.xyz
    62 mv water_id1.xyz water_id1_b.xyz
    63 AT_CHECK([diff -I '.*Created by molecuilder.*' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
    64 AT_CHECK([diff -I '.*Created by molecuilder.*' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
    65 AT_CLEANUP
    66 
    67 AT_SETUP([Unselection - Molecule by order, backward])
    68 AT_KEYWORDS([selection,molecule])
    69 # some variables before
    70 srcpath="Selection/Molecules/MoleculeByOrder"
    71 srcfile=twowater.xyz
    72 m4_include(CheckCommand.sh)
    73 # the tests
    74 check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order -2 -s water_id1.xyz"
    75 check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order -1 -s water_id0.xyz"
    76 mv water_id1.xyz water_id1_a.xyz
    77 mv water_id0.xyz water_id0_a.xyz
    78 check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order -2 --undo -s twowater.xyz"
    79 check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order -1 --undo -s twowater.xyz"
    80 check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order -2 --undo --redo -s water_id1.xyz"
    81 check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order -1 --undo --redo -s water_id0.xyz"
    82 mv water_id0.xyz water_id0_b.xyz
    83 mv water_id1.xyz water_id1_b.xyz
    84 AT_CHECK([diff -I '.*Created by molecuilder.*' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
    85 AT_CHECK([diff -I '.*Created by molecuilder.*' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
    86 AT_CLEANUP
     138
     139regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     140srcfile=twowater.xyz
     141testfile=test.xyz
     142targetfile=water_id1.xyz
     143AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     144AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 1 -s $targetfile], 0, [stdout], [stderr])
     145AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     146
     147regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     148srcfile=twowater.xyz
     149testfile=test.xyz
     150targetfile=water_id0.xyz
     151AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     152AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 2 -s $targetfile], 0, [stdout], [stderr])
     153AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     154
     155AT_CLEANUP
     156
     157
     158AT_SETUP([Unselection - Molecule by order, forward with Undo])
     159AT_KEYWORDS([selection,molecule])
     160
     161regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     162srcfile=twowater.xyz
     163testfile=test.xyz
     164targetfile=twowater.xyz
     165AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     166AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 1 --undo -s $targetfile], 0, [stdout], [stderr])
     167AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     168
     169regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     170srcfile=twowater.xyz
     171testfile=test.xyz
     172targetfile=twowater.xyz
     173AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     174AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 2 --undo -s $targetfile], 0, [stdout], [stderr])
     175AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     176
     177AT_CLEANUP
     178
     179
     180AT_SETUP([Unselection - Molecule by order, forward with Redo])
     181AT_KEYWORDS([selection,molecule])
     182
     183regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     184srcfile=twowater.xyz
     185testfile=test.xyz
     186targetfile=water_id1.xyz
     187AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     188AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 1 --undo --redo -s $targetfile], 0, [stdout], [stderr])
     189AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     190
     191regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     192srcfile=twowater.xyz
     193testfile=test.xyz
     194targetfile=water_id0.xyz
     195AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     196AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 2 --undo --redo -s $targetfile], 0, [stdout], [stderr])
     197AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     198
     199AT_CLEANUP
     200
     201
     202AT_SETUP([Selection - Molecule by order, backward])
     203AT_KEYWORDS([selection,molecule])
     204
     205regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     206srcfile=twowater.xyz
     207testfile=test.xyz
     208targetfile=water_id1.xyz
     209AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     210AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order -2 -s $targetfile], 0, [stdout], [stderr])
     211AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     212
     213regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     214srcfile=twowater.xyz
     215testfile=test.xyz
     216targetfile=water_id0.xyz
     217AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     218AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order -1 -s $targetfile], 0, [stdout], [stderr])
     219AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     220
     221AT_CLEANUP
     222
     223
     224AT_SETUP([Selection - Molecule by order, backward with Undo])
     225AT_KEYWORDS([selection,molecule])
     226
     227regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     228srcfile=twowater.xyz
     229testfile=test.xyz
     230targetfile=twowater.xyz
     231AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     232AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order -2 --undo -s $targetfile], 0, [stdout], [stderr])
     233AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     234
     235regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     236srcfile=twowater.xyz
     237testfile=test.xyz
     238targetfile=twowater.xyz
     239AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     240AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order -1 --undo -s $targetfile], 0, [stdout], [stderr])
     241AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     242
     243AT_CLEANUP
     244
     245
     246AT_SETUP([Selection - Molecule by order, backward with Redo])
     247AT_KEYWORDS([selection,molecule])
     248
     249regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     250srcfile=twowater.xyz
     251testfile=test.xyz
     252targetfile=water_id1.xyz
     253AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     254AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order -2 --undo --redo -s $targetfile], 0, [stdout], [stderr])
     255AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     256
     257regressionpath="${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"
     258srcfile=twowater.xyz
     259testfile=test.xyz
     260targetfile=water_id0.xyz
     261AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
     262AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order -1 --undo --redo -s $targetfile], 0, [stdout], [stderr])
     263AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
     264
     265AT_CLEANUP
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