source: tests/regression/Domain/RepeatBox/testsuite-domain-repeat-box.at@ 9758f7

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 Candidate_v1.7.0 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 9758f7 was c8b17b, checked in by Frederik Heber <heber@…>, 14 years ago

DISTCHECKFIX: Added missing chmod u+w were appropriate.

  • This is necessary as files are copied as read-only which prevents molecuilder from writing changes to file.
  • Property mode set to 100644
File size: 8.2 KB
RevLine 
[8a957e]1### duplicating box
2
3AT_SETUP([Domain - duplicating box])
[e611dc]4AT_KEYWORDS([domain repeat-box])
[23b0c2]5
6file=test.conf
[7db9bd]7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
[c8b17b]8AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
[23b0c2]9AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 1, 1"], 0, [stdout], [stderr])
[3bd460a]10AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
[8a957e]11AT_CHECK([file=test.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
[7db9bd]12AT_CHECK([file=test.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test.xyz | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
[8a957e]13AT_CHECK([file=test.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])
[23b0c2]14
15file=test-x.conf
[7db9bd]16AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
[c8b17b]17AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
[23b0c2]18AT_CHECK([../../molecuilder -i $file -o xyz -d "2, 1, 1"], 0, [stdout], [stderr])
[3bd460a]19AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
[8a957e]20AT_CHECK([file=test-x.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
[7db9bd]21AT_CHECK([file=test-x.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-x.xyz | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
[8a957e]22AT_CHECK([file=test-x.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])
[23b0c2]23
24file=test-y.conf
[7db9bd]25AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
[c8b17b]26AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
[23b0c2]27AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 2, 1"], 0, [stdout], [stderr])
[3bd460a]28AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
[8a957e]29AT_CHECK([file=test-y.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
[7db9bd]30AT_CHECK([file=test-y.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-y.xyz | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
[8a957e]31AT_CHECK([file=test-y.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])
[23b0c2]32
33file=test-z.conf
[7db9bd]34AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
[c8b17b]35AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
[23b0c2]36AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 1, 2"], 0, [stdout], [stderr])
[3bd460a]37AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
[8a957e]38AT_CHECK([file=test-z.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
[7db9bd]39AT_CHECK([file=test-z.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-z.xyz | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
[8a957e]40AT_CHECK([file=test-z.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])
[23b0c2]41
[8a957e]42AT_CLEANUP
[e69c87]43
44
45AT_SETUP([Domain - duplicating box with Undo])
46AT_XFAIL_IF([/bin/true])
[e611dc]47AT_KEYWORDS([domain repeat-box undo])
[e69c87]48
49file=test.conf
[7db9bd]50AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
[c8b17b]51AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
[e69c87]52AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 1, 1" --undo], 0, [stdout], [stderr])
53AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
54AT_CHECK([file=test.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
[7db9bd]55AT_CHECK([file=test.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test.xyz | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
[e69c87]56AT_CHECK([file=test.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])
57
58file=test-x.conf
[7db9bd]59AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
[c8b17b]60AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
[e69c87]61AT_CHECK([../../molecuilder -i $file -o xyz -d "2, 1, 1" --undo], 0, [stdout], [stderr])
62AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
63AT_CHECK([file=test-x.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
[7db9bd]64AT_CHECK([file=test-x.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-x.xyz | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
[e69c87]65AT_CHECK([file=test-x.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])
66
67file=test-y.conf
[7db9bd]68AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
[c8b17b]69AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
[e69c87]70AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 2, 1" --undo], 0, [stdout], [stderr])
71AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
72AT_CHECK([file=test-y.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
[7db9bd]73AT_CHECK([file=test-y.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-y.xyz | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
[e69c87]74AT_CHECK([file=test-y.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])
75
76file=test-z.conf
[7db9bd]77AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
[c8b17b]78AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
[e69c87]79AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 1, 2" --undo], 0, [stdout], [stderr])
80AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
81AT_CHECK([file=test-z.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
[7db9bd]82AT_CHECK([file=test-z.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-z.xyz | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
[e69c87]83AT_CHECK([file=test-z.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])
84
85AT_CLEANUP
86
87
88AT_SETUP([Domain - duplicating box with Redo])
89AT_XFAIL_IF([/bin/true])
[e611dc]90AT_KEYWORDS([domain repeat-box redo])
[e69c87]91
92file=test.conf
[7db9bd]93AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
[c8b17b]94AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
[e69c87]95AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 1, 1" --undo --redo], 0, [stdout], [stderr])
96AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
97AT_CHECK([file=test.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
[7db9bd]98AT_CHECK([file=test.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test.xyz | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
[e69c87]99AT_CHECK([file=test.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])
100
101file=test-x.conf
[7db9bd]102AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
[c8b17b]103AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
[e69c87]104AT_CHECK([../../molecuilder -i $file -o xyz -d "2, 1, 1" --undo --redo], 0, [stdout], [stderr])
105AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
106AT_CHECK([file=test-x.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
[7db9bd]107AT_CHECK([file=test-x.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-x.xyz | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
[e69c87]108AT_CHECK([file=test-x.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])
109
110file=test-y.conf
[7db9bd]111AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
[c8b17b]112AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
[e69c87]113AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 2, 1" --undo --redo], 0, [stdout], [stderr])
114AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
115AT_CHECK([file=test-y.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
[7db9bd]116AT_CHECK([file=test-y.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-y.xyz | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
[e69c87]117AT_CHECK([file=test-y.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])
118
119file=test-z.conf
[7db9bd]120AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
[c8b17b]121AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
[e69c87]122AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 1, 2" --undo --redo], 0, [stdout], [stderr])
123AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
124AT_CHECK([file=test-z.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
[7db9bd]125AT_CHECK([file=test-z.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-z.xyz | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
[e69c87]126AT_CHECK([file=test-z.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])
127
128AT_CLEANUP
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