source: tests/regression/Selection/Atoms/AtomById/testsuite-selection-atom-by-id.at@ 7c958e

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
Last change on this file since 7c958e was e69c87, checked in by Frederik Heber <heber@…>, 14 years ago

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):
  • Property mode set to 100644
File size: 3.7 KB
RevLine 
[512f85]1### 6. (un)select atom by id
2
3AT_SETUP([Selection - atom with specific id])
4AT_KEYWORDS([selection,id,atom])
5# go through all possible ids (0-7) and removed
6i=0
7while test $i -lt 8; do
8 file=id${i}_missing.xyz
9 # normal
[b9bfa6]10 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/pre/test.xyz $file])
[23b0c2]11 AT_CHECK([chmod u+w $file], 0)
[512f85]12 AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id ${i} -r], [], [ignore], [ignore])
[caeeb8]13 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/post/id${i}_missing.xyz])
[e69c87]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
[b9bfa6]26 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/pre/test.xyz $file])
[23b0c2]27 AT_CHECK([chmod u+w $file], 0)
[512f85]28 AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id ${i} --undo -r], [], [ignore], [ignore])
[caeeb8]29 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/post/test-undo.xyz])
[e69c87]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
[512f85]41 # redo
[b9bfa6]42 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/pre/test.xyz $file])
[23b0c2]43 AT_CHECK([chmod u+w $file], 0)
[512f85]44 AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id ${i} --undo --redo -r], [], [ignore], [ignore])
[caeeb8]45 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/post/id${i}_missing.xyz])
[512f85]46 ((i+=1))
47done
48AT_CLEANUP
49
[e69c87]50
[512f85]51AT_SETUP([Unselection - atom with specific id])
52AT_KEYWORDS([selection,id,atom])
53# go through all possible ids (0-7) and remove others
54i=0
55while test $i -lt 8; do
56 file=id${i}_present.xyz
57 # normal
[b9bfa6]58 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/pre/test.xyz $file])
[23b0c2]59 AT_CHECK([chmod u+w $file], 0)
[512f85]60 AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-id ${i} -r], [], [ignore], [ignore])
[caeeb8]61 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/post/id${i}_present.xyz])
[e69c87]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
[b9bfa6]74 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/pre/test.xyz $file])
[23b0c2]75 AT_CHECK([chmod u+w $file], 0)
[512f85]76 AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-id ${i} --undo -r], [], [ignore], [ignore])
[b9bfa6]77 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/post/empty.xyz])
[e69c87]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
[512f85]89 # redo
[b9bfa6]90 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/pre/test.xyz $file])
[23b0c2]91 AT_CHECK([chmod u+w $file], 0)
[512f85]92 AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-id ${i} --undo --redo -r], [], [ignore], [ignore])
[caeeb8]93 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomById/post/id${i}_present.xyz])
[512f85]94 ((i+=1))
95done
96AT_CLEANUP
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