Ignore:
Timestamp:
Sep 21, 2011, 8:04:30 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:
520f93
Parents:
caeeb8
git-author:
Frederik Heber <heber@…> (04/27/11 12:06:33)
git-committer:
Frederik Heber <heber@…> (09/21/11 20:04:30)
Message:

Splitted off Undo and Redo parts into own tests (3-step rule).

  • this way tests are cleaner as there are no old files left.
  • added lots of Undos/Redos.

Corrected all failing regression tests (of these new Undos/Redos):

Location:
tests/regression/Selection/Atoms
Files:
7 edited

Legend:

Unmodified
Added
Removed

  • tests/regression/Selection/Atoms/AllAtoms/testsuite-selection-all-atoms.at

    rcaeeb8 re69c87  
    1010AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtoms/post/allatoms.xyz], 0, [ignore], [ignore])
    1111
     12AT_CLEANUP
     13
     14
     15AT_SETUP([Selection - All Atoms with Undo])
     16AT_KEYWORDS([selection])
     17
    1218file=allatoms.xyz
    1319AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtoms/pre/box.xyz $file], 0)
    … …  
    1521AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --undo -r], 0, [stdout], [stderr])
    1622AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtoms/post/box.xyz], 0, [ignore], [ignore])
     23
     24AT_CLEANUP
     25
     26
     27AT_SETUP([Selection - All Atoms with Redo])
     28AT_KEYWORDS([selection])
    1729
    1830file=allatoms.xyz
    … …  
    3446AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtoms/post/box.xyz], 0, [ignore], [ignore])
    3547
     48AT_CLEANUP
     49
     50
     51AT_SETUP([Unselection - All Atoms with Undo])
     52AT_KEYWORDS([selection])
     53
    3654file=id0_missing.xyz
    3755AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtoms/pre/box.xyz $file], 0)
    … …  
    3957AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id 0 --unselect-all-atoms --undo -r], 0, [stdout], [stderr])
    4058AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtoms/post/id0_missing.xyz], 0, [ignore], [ignore])
     59
     60AT_CLEANUP
     61
     62
     63AT_SETUP([Unselection - All Atoms with Redo])
     64AT_KEYWORDS([selection])
    4165
    4266file=box.xyz

  • tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-all-atoms-of-molecule.at

    rcaeeb8 re69c87  
    33AT_SETUP([Selection - All atoms of selected molecules])
    44AT_KEYWORDS([selection])
     5
     6file=molecule0.xyz
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
     8AT_CHECK([chmod u+w $file], 0)
     9AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 1 --select-molecules-atoms -r], 0, [stdout], [stderr])
     10AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz], 0, [ignore], [ignore])
    511
    612file=molecule1.xyz
    … …  
    1016AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])
    1117
    12 file=molecule1.xyz
    13 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
    14 AT_CHECK([chmod u+w $file], 0)
    15 AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 0 --select-molecules-atoms --undo -r], 0, [stdout], [stderr])
    16 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/test.xyz], 0, [ignore], [ignore])
     18AT_CLEANUP
    1719
    18 file=molecule1.xyz
    19 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
    20 AT_CHECK([chmod u+w $file], 0)
    21 AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 0 --select-molecules-atoms --undo --redo -r], 0, [stdout], [stderr])
    22 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])
    2320
    24 file=molecule0.xyz
    25 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
    26 AT_CHECK([chmod u+w $file], 0)
    27 AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 1 --select-molecules-atoms -r], 0, [stdout], [stderr])
    28 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz], 0, [ignore], [ignore])
     21AT_SETUP([Selection - All atoms of selected molecules with Undo])
     22AT_KEYWORDS([selection])
    2923
    3024file=molecule0.xyz
    … …  
    3428AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/test.xyz], 0, [ignore], [ignore])
    3529
     30file=molecule1.xyz
     31AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
     32AT_CHECK([chmod u+w $file], 0)
     33AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 0 --select-molecules-atoms --undo -r], 0, [stdout], [stderr])
     34AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/test.xyz], 0, [ignore], [ignore])
     35
     36AT_CLEANUP
     37
     38
     39AT_SETUP([Selection - All atoms of selected molecules with Redo])
     40AT_KEYWORDS([selection])
     41
    3642file=molecule0.xyz
    3743AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
    … …  
    3945AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 1 --select-molecules-atoms --undo --redo -r], 0, [stdout], [stderr])
    4046AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz], 0, [ignore], [ignore])
     47
     48file=molecule1.xyz
     49AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
     50AT_CHECK([chmod u+w $file], 0)
     51AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 0 --select-molecules-atoms --undo --redo -r], 0, [stdout], [stderr])
     52AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])
    4153
    4254AT_CLEANUP
    … …  
    5264AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz], 0, [ignore], [ignore])
    5365
     66file=molecule1.xyz
     67AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
     68AT_CHECK([chmod u+w $file], 0)
     69AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms -r], 0, [stdout], [stderr])
     70AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])
     71
     72AT_CLEANUP
     73
     74
     75AT_SETUP([Unselection - All atoms of selected molecules with Undo])
     76AT_KEYWORDS([selection])
     77
    5478file=molecule0.xyz
    5579AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
    … …  
    5781AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --select-molecule-by-id 0 --unselect-molecules-atoms --undo -r], 0, [stdout], [stderr])
    5882AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/empty.xyz], 0, [ignore], [ignore])
     83
     84file=molecule1.xyz
     85AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
     86AT_CHECK([chmod u+w $file], 0)
     87AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms --undo -r], 0, [stdout], [stderr])
     88AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/empty.xyz], 0, [ignore], [ignore])
     89
     90AT_CLEANUP
     91
     92
     93AT_SETUP([Unselection - All atoms of selected molecules with Redo])
     94AT_KEYWORDS([selection])
    5995
    6096file=molecule0.xyz
    … …  
    67103AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
    68104AT_CHECK([chmod u+w $file], 0)
    69 AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms -r], 0, [stdout], [stderr])
    70 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])
    71 
    72 file=molecule1.xyz
    73 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
    74 AT_CHECK([chmod u+w $file], 0)
    75 AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms --undo -r], 0, [stdout], [stderr])
    76 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/empty.xyz], 0, [ignore], [ignore])
    77 
    78 file=molecule1.xyz
    79 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
    80 AT_CHECK([chmod u+w $file], 0)
    81105AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms --undo --redo -r], 0, [stdout], [stderr])
    82106AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])

  • tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-atoms-by-element.at

    rcaeeb8 re69c87  
    2020
    2121
    22 AT_SETUP([Selection - All atoms with specific element by symbol with Undo/Redo])
     22AT_SETUP([Selection - All atoms with specific element by symbol with Undo])
    2323AT_KEYWORDS([element,symbol])
    2424
    … …  
    3535AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/post/test.xyz], 0, [ignore], [ignore])
    3636
     37AT_CLEANUP
     38
     39AT_SETUP([Selection - All atoms with specific element by symbol with Redo])
     40AT_KEYWORDS([element,symbol])
     41
    3742file=test-H_missing.xyz
    3843AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/pre/test.xyz test-H_missing.xyz], 0)

  • tests/regression/Selection/Atoms/AtomById/testsuite-selection-atom-by-id.at

    rcaeeb8 re69c87  
    1212  AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id ${i} -r], [], [ignore], [ignore])
    1313  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/post/id${i}_missing.xyz])
    14   # normal
     14  ((i+=1))
     15done
     16AT_CLEANUP
     17
     18
     19AT_SETUP([Selection - atom with specific id with Undo])
     20AT_KEYWORDS([selection,id,atom])
     21# go through all possible ids (0-7) and removed
     22i=0
     23while test $i -lt 8; do
     24  file=id${i}_missing.xyz
     25  # undo
    1526  AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/pre/test.xyz $file])
    1627  AT_CHECK([chmod u+w $file], 0)
    1728  AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id ${i} --undo -r], [], [ignore], [ignore])
    1829  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/post/test-undo.xyz])
     30  ((i+=1))
     31done
     32AT_CLEANUP
     33
     34
     35AT_SETUP([Selection - atom with specific id with Redo])
     36AT_KEYWORDS([selection,id,atom])
     37# go through all possible ids (0-7) and removed
     38i=0
     39while test $i -lt 8; do
     40  file=id${i}_missing.xyz
    1941  # redo
    2042  AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/pre/test.xyz $file])
    … …  
    2547done
    2648AT_CLEANUP
     49
    2750
    2851AT_SETUP([Unselection - atom with specific id])
    … …  
    3760  AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-id ${i} -r], [], [ignore], [ignore])
    3861  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/post/id${i}_present.xyz])
    39   # normal
     62  ((i+=1))
     63done
     64AT_CLEANUP
     65
     66
     67AT_SETUP([Unselection - atom with specific id with Undo])
     68AT_KEYWORDS([selection,id,atom])
     69# go through all possible ids (0-7) and remove others
     70i=0
     71while test $i -lt 8; do
     72  file=id${i}_present.xyz
     73  # undo
    4074  AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/pre/test.xyz $file])
    4175  AT_CHECK([chmod u+w $file], 0)
    4276  AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-id ${i} --undo -r], [], [ignore], [ignore])
    4377  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/post/empty.xyz])
     78  ((i+=1))
     79done
     80AT_CLEANUP
     81
     82
     83AT_SETUP([Unselection - atom with specific id with Redo])
     84AT_KEYWORDS([selection,id,atom])
     85# go through all possible ids (0-7) and remove others
     86i=0
     87while test $i -lt 8; do
     88  file=id${i}_present.xyz
    4489  # redo
    4590  AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/pre/test.xyz $file])

  • tests/regression/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-atoms-inside-cuboid.at

    rcaeeb8 re69c87  
    88AT_CHECK([chmod u+w $file], 0)
    99AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0 -r], 0, [stdout], [stderr])
    10 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/post/allatomsoutsidecuboid.xyz], 0, [ignore], [ignore])
    11 
    12 file=allatomsoutsidecuboid.xyz
    13 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0)
    14 AT_CHECK([chmod u+w $file], 0)
    15 AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo -r], 0, [stdout], [stderr])
    16 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz], 0, [ignore], [ignore])
    17 
    18 file=allatomsoutsidecuboid.xyz
    19 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0)
    20 AT_CHECK([chmod u+w $file], 0)
    21 AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo --redo -r], 0, [stdout], [stderr])
    2210AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/post/allatomsoutsidecuboid.xyz], 0, [ignore], [ignore])
    2311
    … …  
    3422
    3523
     24AT_SETUP([Selection - All atoms inside cuboid with Undo])
     25AT_KEYWORDS([selection,cuboid])
     26
     27file=allatomsoutsidecuboid.xyz
     28AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0)
     29AT_CHECK([chmod u+w $file], 0)
     30AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo -r], 0, [stdout], [stderr])
     31AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz], 0, [ignore], [ignore])
     32
     33AT_CLEANUP
     34
     35
     36AT_SETUP([Selection - All atoms inside cuboid with Redo])
     37AT_KEYWORDS([selection,cuboid])
     38
     39file=allatomsoutsidecuboid.xyz
     40AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0)
     41AT_CHECK([chmod u+w $file], 0)
     42AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo --redo -r], 0, [stdout], [stderr])
     43AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/post/allatomsoutsidecuboid.xyz], 0, [ignore], [ignore])
     44
     45
     46AT_CLEANUP
     47
     48
    3649AT_SETUP([Selection - All atoms inside cuboid with defaults])
    3750AT_KEYWORDS([selection,cuboid])
    … …  
    4154AT_CHECK([chmod u+w $file], 0)
    4255AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" -r], 0, [stdout], [stderr])
    43 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/post/allatomsoutsidecuboid.xyz], 0, [ignore], [ignore])
    44 
    45 file=allatomsoutsidecuboid.xyz
    46 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0)
    47 AT_CHECK([chmod u+w $file], 0)
    48 AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --undo -r], 0, [stdout], [stderr])
    49 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz], 0, [ignore], [ignore])
    50 
    51 file=allatomsoutsidecuboid.xyz
    52 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0)
    53 AT_CHECK([chmod u+w $file], 0)
    54 AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --undo --redo -r], 0, [stdout], [stderr])
    5556AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/post/allatomsoutsidecuboid.xyz], 0, [ignore], [ignore])
    5657
    … …  
    6768
    6869
     70AT_SETUP([Selection - All atoms inside cuboid with defaults with Undo])
     71AT_KEYWORDS([selection,cuboid])
     72
     73file=allatomsoutsidecuboid.xyz
     74AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0)
     75AT_CHECK([chmod u+w $file], 0)
     76AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --undo -r], 0, [stdout], [stderr])
     77AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz], 0, [ignore], [ignore])
     78
     79AT_CLEANUP
     80
     81
     82AT_SETUP([Selection - All atoms inside cuboid with defaults with Redo])
     83AT_KEYWORDS([selection,cuboid])
     84
     85file=allatomsoutsidecuboid.xyz
     86AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0)
     87AT_CHECK([chmod u+w $file], 0)
     88AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --undo --redo -r], 0, [stdout], [stderr])
     89AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/post/allatomsoutsidecuboid.xyz], 0, [ignore], [ignore])
     90
     91
     92AT_CLEANUP
     93
     94
    6995AT_SETUP([Unselection - All atoms inside cuboid])
    7096AT_KEYWORDS([selection,cuboid])
    … …  
    74100AT_CHECK([chmod u+w $file], 0)
    75101AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0 -r], 0, [stdout], [stderr])
    76 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/post/allatomsinsidecuboid.xyz], 0, [ignore], [ignore])
    77 
    78 file=allatomsinsidecuboid.xyz
    79 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0)
    80 AT_CHECK([chmod u+w $file], 0)
    81 AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo -r], 0, [stdout], [stderr])
    82 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/post/empty.xyz], 0, [ignore], [ignore])
    83 
    84 file=allatomsinsidecuboid.xyz
    85 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0)
    86 AT_CHECK([chmod u+w $file], 0)
    87 AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo --redo -r], 0, [stdout], [stderr])
    88102AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/post/allatomsinsidecuboid.xyz], 0, [ignore], [ignore])
    89103
    … …  
    98112
    99113AT_CLEANUP
     114
     115
     116AT_SETUP([Unselection - All atoms inside cuboid with Undo])
     117AT_KEYWORDS([selection,cuboid])
     118
     119file=allatomsinsidecuboid.xyz
     120AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0)
     121AT_CHECK([chmod u+w $file], 0)
     122AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo -r], 0, [stdout], [stderr])
     123AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/post/empty.xyz], 0, [ignore], [ignore])
     124
     125AT_CLEANUP
     126
     127
     128AT_SETUP([Unselection - All atoms inside cuboid with Redo])
     129AT_KEYWORDS([selection,cuboid])
     130
     131file=allatomsinsidecuboid.xyz
     132AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0)
     133AT_CHECK([chmod u+w $file], 0)
     134AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-cuboid "10,10,10" --position "0,0,0" --angle-x 0 --angle-y 0 --angle-z 0  --undo --redo -r], 0, [stdout], [stderr])
     135AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/post/allatomsinsidecuboid.xyz], 0, [ignore], [ignore])
     136
     137AT_CLEANUP

  • tests/regression/Selection/Atoms/AtomsInsideSphere/testsuite-selection-atoms-inside-sphere.at

    rcaeeb8 re69c87  
    88AT_CHECK([chmod u+w $file], 0)
    99AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-sphere 10 --position "10,10,10" -r], 0, [stdout], [stderr])
    10 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/allatomsoutsidesphere.xyz], 0, [ignore], [ignore])
    11 
    12 file=allatomsoutsidesphere.xyz
    13 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
    14 AT_CHECK([chmod u+w $file], 0)
    15 AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-sphere 10 --position "10,10,10" --undo -r], 0, [stdout], [stderr])
    16 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz], 0, [ignore], [ignore])
    17 
    18 file=allatomsoutsidesphere.xyz
    19 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
    20 AT_CHECK([chmod u+w $file], 0)
    21 AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-sphere 10 --position "10,10,10" --undo --redo -r], 0, [stdout], [stderr])
    2210AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/allatomsoutsidesphere.xyz], 0, [ignore], [ignore])
    2311
    … …  
    3422
    3523
     24AT_SETUP([Selection - All atoms inside sphere with Undo])
     25AT_KEYWORDS([selection,sphere])
     26
     27file=allatomsoutsidesphere.xyz
     28AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
     29AT_CHECK([chmod u+w $file], 0)
     30AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-sphere 10 --position "10,10,10" --undo -r], 0, [stdout], [stderr])
     31AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz], 0, [ignore], [ignore])
     32
     33AT_CLEANUP
     34
     35
     36AT_SETUP([Selection - All atoms inside sphere with Redo])
     37AT_KEYWORDS([selection,sphere])
     38
     39file=allatomsoutsidesphere.xyz
     40AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
     41AT_CHECK([chmod u+w $file], 0)
     42AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-sphere 10 --position "10,10,10" --undo --redo -r], 0, [stdout], [stderr])
     43AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/allatomsoutsidesphere.xyz], 0, [ignore], [ignore])
     44
     45AT_CLEANUP
     46
     47
    3648
    3749AT_SETUP([Unselection - All atoms inside sphere])
    … …  
    4254AT_CHECK([chmod u+w $file], 0)
    4355AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 10 --position "10,10,10" -r], 0, [stdout], [stderr])
    44 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/allatomsinsidesphere.xyz], 0, [ignore], [ignore])
    45 
    46 file=allatomsinsidesphere.xyz
    47 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
    48 AT_CHECK([chmod u+w $file], 0)
    49 AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 10 --position "10,10,10" --undo -r], 0, [stdout], [stderr])
    50 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/empty.xyz], 0, [ignore], [ignore])
    51 
    52 file=allatomsinsidesphere.xyz
    53 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
    54 AT_CHECK([chmod u+w $file], 0)
    55 AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 10 --position "10,10,10" --undo --redo -r], 0, [stdout], [stderr])
    5656AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/allatomsinsidesphere.xyz], 0, [ignore], [ignore])
    5757
    … …  
    6767AT_CLEANUP
    6868
     69
     70AT_SETUP([Unselection - All atoms inside sphere with Undo])
     71AT_KEYWORDS([selection,sphere])
     72
     73file=allatomsinsidesphere.xyz
     74AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
     75AT_CHECK([chmod u+w $file], 0)
     76AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 10 --position "10,10,10" --undo -r], 0, [stdout], [stderr])
     77AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/empty.xyz], 0, [ignore], [ignore])
     78
     79AT_CLEANUP
     80
     81
     82AT_SETUP([Unselection - All atoms inside sphere with Redo])
     83AT_KEYWORDS([selection,sphere])
     84
     85file=allatomsinsidesphere.xyz
     86AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
     87AT_CHECK([chmod u+w $file], 0)
     88AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 10 --position "10,10,10" --undo --redo -r], 0, [stdout], [stderr])
     89AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/allatomsinsidesphere.xyz], 0, [ignore], [ignore])
     90
     91AT_CLEANUP

  • tests/regression/Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at

    rcaeeb8 re69c87  
    1010AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/ClearAtoms/pre/box.xyz], 0, [ignore], [ignore])
    1111
     12AT_CLEANUP
     13
     14
     15AT_SETUP([Unselection - clear atom selection with Undo])
     16AT_KEYWORDS([selection,clear])
     17
    1218file=id0_missing.xyz
    1319AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/ClearAtoms/pre/box.xyz $file], 0)
    … …  
    1521AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id 0 --unselect-all-atoms --undo -r], 0, [stdout], [stderr])
    1622AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/ClearAtoms/post/id0_missing.xyz], 0, [ignore], [ignore])
     23
     24AT_CLEANUP
     25
     26
     27AT_SETUP([Unselection - clear atom selection with Redo])
     28AT_KEYWORDS([selection,clear])
    1729
    1830file=box.xyz
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