Changeset f2872a for tests/regression


Ignore:
Timestamp:
Sep 22, 2011, 12:50:36 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:
43a0ae
Parents:
d70fff
git-author:
Frederik Heber <heber@…> (04/27/11 17:31:05)
git-committer:
Frederik Heber <heber@…> (09/22/11 12:50:36)
Message:

Split off Unselections from selections in Selection/Atoms.

  • each testsuite*.at file now just has a single test (including undo/redo).
  • renamed testsuite*.at files: added missing "select-" such that full action name is contained in filename.
Location:
tests/regression
Files:
8 added
1 deleted
2 edited
5 moved

Legend:

Unmodified
Added
Removed

  • tests/regression/Makefile.am

    rd70fff rf2872a  
    113113        $(srcdir)/Selection/testsuite-selection.at \
    114114        $(srcdir)/Selection/Atoms/testsuite-selection-atoms.at \
    115         $(srcdir)/Selection/Atoms/AllAtoms/testsuite-selection-all-atoms.at \
    116         $(srcdir)/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-all-atoms-of-molecule.at \
    117         $(srcdir)/Selection/Atoms/AtomByElement/testsuite-selection-atoms-by-element.at \
    118         $(srcdir)/Selection/Atoms/AtomById/testsuite-selection-atom-by-id.at \
    119         $(srcdir)/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-atoms-inside-cuboid.at \
    120         $(srcdir)/Selection/Atoms/AtomsInsideSphere/testsuite-selection-atoms-inside-sphere.at \
     115        $(srcdir)/Selection/Atoms/AllAtoms/testsuite-selection-select-all-atoms.at \
     116        $(srcdir)/Selection/Atoms/AllAtoms/testsuite-selection-unselect-all-atoms.at \
     117        $(srcdir)/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-select-all-atoms-of-molecule.at \
     118        $(srcdir)/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-unselect-all-atoms-of-molecule.at \
     119        $(srcdir)/Selection/Atoms/AtomByElement/testsuite-selection-select-atoms-by-element.at \
     120        $(srcdir)/Selection/Atoms/AtomByElement/testsuite-selection-unselect-atoms-by-element.at \
     121        $(srcdir)/Selection/Atoms/AtomById/testsuite-selection-select-atom-by-id.at \
     122        $(srcdir)/Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id.at \
     123        $(srcdir)/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid.at \
     124        $(srcdir)/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid-with-defaults.at \
     125        $(srcdir)/Selection/Atoms/AtomsInsideCuboid/testsuite-selection-unselect-atoms-inside-cuboid.at \
     126        $(srcdir)/Selection/Atoms/AtomsInsideSphere/testsuite-selection-select-atoms-inside-sphere.at \
     127        $(srcdir)/Selection/Atoms/AtomsInsideSphere/testsuite-selection-unselect-atoms-inside-sphere.at \
    121128        $(srcdir)/Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at \
    122129        $(srcdir)/Selection/Molecules/testsuite-selection-molecules.at \

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

    rd70fff rf2872a  
    11### 1. (un)select all atoms
    2 
    3 AT_SETUP([Selection - All Atoms])
    4 AT_KEYWORDS([selection])
    5 
    6 file=allatoms.xyz
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtoms/pre/box.xyz $file], 0)
    8 AT_CHECK([chmod u+w $file], 0)
    9 AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms -r], 0, [stdout], [stderr])
    10 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtoms/post/allatoms.xyz], 0, [ignore], [ignore])
    11 
    12 AT_CLEANUP
    13 
    14 
    15 AT_SETUP([Selection - All Atoms with Undo])
    16 AT_KEYWORDS([selection])
    17 
    18 file=allatoms.xyz
    19 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtoms/pre/box.xyz $file], 0)
    20 AT_CHECK([chmod u+w $file], 0)
    21 AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --undo -r], 0, [stdout], [stderr])
    22 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtoms/post/box.xyz], 0, [ignore], [ignore])
    23 
    24 AT_CLEANUP
    25 
    26 
    27 AT_SETUP([Selection - All Atoms with Redo])
    28 AT_KEYWORDS([selection])
    29 
    30 file=allatoms.xyz
    31 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtoms/pre/box.xyz $file], 0)
    32 AT_CHECK([chmod u+w $file], 0)
    33 AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --undo --redo -r], 0, [stdout], [stderr])
    34 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtoms/post/allatoms.xyz], 0, [ignore], [ignore])
    35 
    36 AT_CLEANUP
    372
    383

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

    rd70fff rf2872a  
    11### 4. (un)select all atoms of molecule
    2 
    3 AT_SETUP([Selection - All atoms of selected molecules])
    4 AT_KEYWORDS([selection])
    5 
    6 file=molecule0.xyz
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
    8 AT_CHECK([chmod u+w $file], 0)
    9 AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 1 --select-molecules-atoms -r], 0, [stdout], [stderr])
    10 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz], 0, [ignore], [ignore])
    11 
    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 -r], 0, [stdout], [stderr])
    16 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])
    17 
    18 AT_CLEANUP
    19 
    20 
    21 AT_SETUP([Selection - All atoms of selected molecules with Undo])
    22 AT_KEYWORDS([selection])
    23 
    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 --undo -r], 0, [stdout], [stderr])
    28 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/test.xyz], 0, [ignore], [ignore])
    29 
    30 file=molecule1.xyz
    31 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
    32 AT_CHECK([chmod u+w $file], 0)
    33 AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 0 --select-molecules-atoms --undo -r], 0, [stdout], [stderr])
    34 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/test.xyz], 0, [ignore], [ignore])
    35 
    36 AT_CLEANUP
    37 
    38 
    39 AT_SETUP([Selection - All atoms of selected molecules with Redo])
    40 AT_KEYWORDS([selection])
    41 
    42 file=molecule0.xyz
    43 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
    44 AT_CHECK([chmod u+w $file], 0)
    45 AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 1 --select-molecules-atoms --undo --redo -r], 0, [stdout], [stderr])
    46 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz], 0, [ignore], [ignore])
    47 
    48 file=molecule1.xyz
    49 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
    50 AT_CHECK([chmod u+w $file], 0)
    51 AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 0 --select-molecules-atoms --undo --redo -r], 0, [stdout], [stderr])
    52 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])
    53 
    54 AT_CLEANUP
    552
    563

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

    rd70fff rf2872a  
    11### 5. (un)select atoms by element
    2 
    3 # select element by atomic number: 1, 4
    4 AT_SETUP([Selection - All atoms with specific element by atomic number])
    5 AT_KEYWORDS([selection,atom,element,atomic number])
    6 
    7 file=test-H_missing.xyz
    8 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
    9 AT_CHECK([chmod u+w $file], 0)
    10 AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-element 1 -r], 0, [stdout], [stderr])
    11 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/post/test-H_missing.xyz], 0, [ignore], [ignore])
    12 
    13 file=test-Be_missing.xyz
    14 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
    15 AT_CHECK([chmod u+w $file], 0)
    16 AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-element 4 -r], 0, [stdout], [stderr])
    17 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/post/test-Be_missing.xyz], 0, [ignore], [ignore])
    18 
    19 AT_CLEANUP
    20 
    21 
    22 AT_SETUP([Selection - All atoms with specific element by symbol with Undo])
    23 AT_KEYWORDS([element,symbol])
    24 
    25 file=test.xyz
    26 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
    27 AT_CHECK([chmod u+w $file], 0)
    28 AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-element 1 --undo -r], 0, [stdout], [stderr])
    29 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/post/test.xyz], 0, [ignore], [ignore])
    30 
    31 file=test.xyz
    32 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
    33 AT_CHECK([chmod u+w $file], 0)
    34 AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-element 4 --undo -r], 0, [stdout], [stderr])
    35 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/post/test.xyz], 0, [ignore], [ignore])
    36 
    37 AT_CLEANUP
    38 
    39 AT_SETUP([Selection - All atoms with specific element by symbol with Redo])
    40 AT_KEYWORDS([element,symbol])
    41 
    42 file=test-H_missing.xyz
    43 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
    44 AT_CHECK([chmod u+w $file], 0)
    45 AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-element 1 --undo --redo -r], 0, [stdout], [stderr])
    46 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/post/test-H_missing.xyz], 0, [ignore], [ignore])
    47 
    48 file=test-Be_missing.xyz
    49 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
    50 AT_CHECK([chmod u+w $file], 0)
    51 AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-element 4 --undo --redo -r], 0, [stdout], [stderr])
    52 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/post/test-Be_missing.xyz], 0, [ignore], [ignore])
    53 
    54 AT_CLEANUP
    552
    563

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

    rd70fff rf2872a  
    11### 6. (un)select atom by id
    2 
    3 AT_SETUP([Selection - atom with specific id])
    4 AT_KEYWORDS([selection,id,atom])
    5 # go through all possible ids (0-7) and removed
    6 i=0
    7 while test $i -lt 8; do
    8   file=id${i}_missing.xyz
    9   # normal
    10   AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/pre/test.xyz $file])
    11   AT_CHECK([chmod u+w $file], 0)
    12   AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id ${i} -r], [], [ignore], [ignore])
    13   AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/post/id${i}_missing.xyz])
    14   ((i+=1))
    15 done
    16 AT_CLEANUP
    17 
    18 
    19 AT_SETUP([Selection - atom with specific id with Undo])
    20 AT_KEYWORDS([selection,id,atom])
    21 # go through all possible ids (0-7) and removed
    22 i=0
    23 while test $i -lt 8; do
    24   file=id${i}_missing.xyz
    25   # undo
    26   AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/pre/test.xyz $file])
    27   AT_CHECK([chmod u+w $file], 0)
    28   AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id ${i} --undo -r], [], [ignore], [ignore])
    29   AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/post/test-undo.xyz])
    30   ((i+=1))
    31 done
    32 AT_CLEANUP
    33 
    34 
    35 AT_SETUP([Selection - atom with specific id with Redo])
    36 AT_KEYWORDS([selection,id,atom])
    37 # go through all possible ids (0-7) and removed
    38 i=0
    39 while test $i -lt 8; do
    40   file=id${i}_missing.xyz
    41   # redo
    42   AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/pre/test.xyz $file])
    43   AT_CHECK([chmod u+w $file], 0)
    44   AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id ${i} --undo --redo -r], [], [ignore], [ignore])
    45   AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/post/id${i}_missing.xyz])
    46   ((i+=1))
    47 done
    48 AT_CLEANUP
    492
    503

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

    rd70fff rf2872a  
    11### 3. (un)select all atoms inside sphere
    2 
    3 AT_SETUP([Selection - All atoms inside sphere])
    4 AT_KEYWORDS([selection,sphere])
    5 
    6 file=allatomsoutsidesphere.xyz
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
    8 AT_CHECK([chmod u+w $file], 0)
    9 AT_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 # check size of sphere
    13 AT_SKIP_IF([! awk '' < /dev/null])  # check whether awk is there
    14 AT_SKIP_IF([! cat >/dev/null < /dev/null])  # check whether cat is there
    15 AT_SKIP_IF([! wc -l /dev/null])  # check whether wc is there
    16 AT_CHECK([cat < $file | awk -F" " '{ if (($2-10)*($2-10)+($3-10)*($3-10)+($4-10)*($4-10) > 100) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore])
    17 AT_CHECK([fgrep "507" stdout], 0, [ignore], [ignore])
    18 AT_CHECK([cat < $file | awk -F" " '{ if (($2-10)*($2-10)+($3-10)*($3-10)+($4-10)*($4-10) < 100) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore])
    19 AT_CHECK([fgrep "0" stdout], 0, [ignore], [ignore])
    20 
    21 AT_CLEANUP
    22 
    23 
    24 AT_SETUP([Selection - All atoms inside sphere with Undo])
    25 AT_KEYWORDS([selection,sphere])
    26 
    27 file=allatomsoutsidesphere.xyz
    28 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
    29 AT_CHECK([chmod u+w $file], 0)
    30 AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-sphere 10 --position "10,10,10" --undo -r], 0, [stdout], [stderr])
    31 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz], 0, [ignore], [ignore])
    32 
    33 AT_CLEANUP
    34 
    35 
    36 AT_SETUP([Selection - All atoms inside sphere with Redo])
    37 AT_KEYWORDS([selection,sphere])
    38 
    39 file=allatomsoutsidesphere.xyz
    40 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
    41 AT_CHECK([chmod u+w $file], 0)
    42 AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-sphere 10 --position "10,10,10" --undo --redo -r], 0, [stdout], [stderr])
    43 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideSphere/post/allatomsoutsidesphere.xyz], 0, [ignore], [ignore])
    44 
    45 AT_CLEANUP
    46 
    472
    483

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

    rd70fff rf2872a  
    44
    55# (un)select all atoms
    6 m4_include(Selection/Atoms/AllAtoms/testsuite-selection-all-atoms.at)
     6m4_include(Selection/Atoms/AllAtoms/testsuite-selection-select-all-atoms.at)
     7m4_include(Selection/Atoms/AllAtoms/testsuite-selection-unselect-all-atoms.at)
    78
    89# (un)select all atoms of molecule
    9 m4_include(Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-all-atoms-of-molecule.at)
     10m4_include(Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-select-all-atoms-of-molecule.at)
     11m4_include(Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-unselect-all-atoms-of-molecule.at)
    1012
    1113# (un)select atoms by element
    12 m4_include(Selection/Atoms/AtomByElement/testsuite-selection-atoms-by-element.at)
     14m4_include(Selection/Atoms/AtomByElement/testsuite-selection-select-atoms-by-element.at)
     15m4_include(Selection/Atoms/AtomByElement/testsuite-selection-unselect-atoms-by-element.at)
    1316
    1417# (un)select atom by id
    15 m4_include(Selection/Atoms/AtomById/testsuite-selection-atom-by-id.at)
     18m4_include(Selection/Atoms/AtomById/testsuite-selection-select-atom-by-id.at)
     19m4_include(Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id.at)
    1620
    1721# (un)select atoms inside cuboid
    18 m4_include(Selection/Atoms/AtomsInsideCuboid/testsuite-selection-atoms-inside-cuboid.at)
     22m4_include(Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid.at)
     23m4_include(Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid-with-defaults.at)
     24m4_include(Selection/Atoms/AtomsInsideCuboid/testsuite-selection-unselect-atoms-inside-cuboid.at)
    1925
    2026# (un)select atoms inside sphere
    21 m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-atoms-inside-sphere.at)
     27m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-select-atoms-inside-sphere.at)
     28m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-unselect-atoms-inside-sphere.at)
    2229
    2330# clear atom selection
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