- Timestamp:
- Jun 13, 2012, 5:39:11 PM (13 years ago)
- 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:
- 301723
- Parents:
- cc32d0
- git-author:
- Frederik Heber <heber@…> (05/10/12 10:21:40)
- git-committer:
- Frederik Heber <heber@…> (06/13/12 17:39:11)
- File:
-
- 1 edited
Legend:
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- Added
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tests/regression/Domain/RepeatBox/testsuite-domain-repeat-box.at
rcc32d0 re1f414 7 7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0) 8 8 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 9 AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 1, 1"], 0, [stdout], [stderr])9 AT_CHECK([../../molecuilder -i $file -o xyz -d 1 1 1], 0, [stdout], [stderr]) 10 10 AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore]) 11 11 AT_CHECK([file=test.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore]) … … 16 16 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0) 17 17 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 18 AT_CHECK([../../molecuilder -i $file -o xyz -d "2, 1, 1"], 0, [stdout], [stderr])18 AT_CHECK([../../molecuilder -i $file -o xyz -d 2 1 1], 0, [stdout], [stderr]) 19 19 AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore]) 20 20 AT_CHECK([file=test-x.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore]) … … 25 25 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0) 26 26 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 27 AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 2, 1"], 0, [stdout], [stderr])27 AT_CHECK([../../molecuilder -i $file -o xyz -d 1 2 1], 0, [stdout], [stderr]) 28 28 AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore]) 29 29 AT_CHECK([file=test-y.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore]) … … 34 34 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0) 35 35 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 36 AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 1, 2"], 0, [stdout], [stderr])36 AT_CHECK([../../molecuilder -i $file -o xyz -d 1 1 2], 0, [stdout], [stderr]) 37 37 AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore]) 38 38 AT_CHECK([file=test-z.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore]) … … 43 43 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/ec.* .], 0) 44 44 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 45 AT_CHECK([../../molecuilder --parse-tremolo-potentials ec.potentials -i $file -o tremolo -d "2, 2, 2"], 0, [stdout], [stderr])45 AT_CHECK([../../molecuilder --parse-tremolo-potentials ec.potentials -i $file -o tremolo -d 2 2 2], 0, [stdout], [stderr]) 46 46 AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore]) 47 47 AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/$file], 0, [ignore], [ignore]) … … 56 56 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0) 57 57 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 58 AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 1, 1"--undo], 0, [stdout], [stderr])58 AT_CHECK([../../molecuilder -i $file -o xyz -d 1 1 1 --undo], 0, [stdout], [stderr]) 59 59 AT_CHECK([fgrep "Box domain restored to" stdout], 0, [ignore], [ignore]) 60 60 AT_CHECK([file=test.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore]) … … 65 65 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0) 66 66 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 67 AT_CHECK([../../molecuilder -i $file -o xyz -d "2, 1, 1"--undo], 0, [stdout], [stderr])67 AT_CHECK([../../molecuilder -i $file -o xyz -d 2 1 1 --undo], 0, [stdout], [stderr]) 68 68 AT_CHECK([fgrep "Box domain restored to" stdout], 0, [ignore], [ignore]) 69 69 AT_CHECK([file=test-x.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore]) … … 74 74 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0) 75 75 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 76 AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 2, 1"--undo], 0, [stdout], [stderr])76 AT_CHECK([../../molecuilder -i $file -o xyz -d 1 2 1 --undo], 0, [stdout], [stderr]) 77 77 AT_CHECK([fgrep "Box domain restored to" stdout], 0, [ignore], [ignore]) 78 78 AT_CHECK([file=test-y.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore]) … … 83 83 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0) 84 84 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 85 AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 1, 2"--undo], 0, [stdout], [stderr])85 AT_CHECK([../../molecuilder -i $file -o xyz -d 1 1 2 --undo], 0, [stdout], [stderr]) 86 86 AT_CHECK([fgrep "Box domain restored to" stdout], 0, [ignore], [ignore]) 87 87 AT_CHECK([file=test-z.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore]) … … 92 92 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/ec.* .], 0) 93 93 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 94 AT_CHECK([../../molecuilder --parse-tremolo-potentials ec.potentials -i $file -o tremolo -d "2, 2, 2"--undo], 0, [stdout], [stderr])94 AT_CHECK([../../molecuilder --parse-tremolo-potentials ec.potentials -i $file -o tremolo -d 2 2 2 --undo], 0, [stdout], [stderr]) 95 95 AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore]) 96 96 AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/$file], 0, [ignore], [ignore]) … … 105 105 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0) 106 106 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 107 AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 1, 1"--undo --redo], 0, [stdout], [stderr])107 AT_CHECK([../../molecuilder -i $file -o xyz -d 1 1 1 --undo --redo], 0, [stdout], [stderr]) 108 108 AT_CHECK([fgrep "Box domain is again" stdout], 0, [ignore], [ignore]) 109 109 AT_CHECK([file=test.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore]) … … 114 114 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0) 115 115 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 116 AT_CHECK([../../molecuilder -i $file -o xyz -d "2, 1, 1"--undo --redo], 0, [stdout], [stderr])116 AT_CHECK([../../molecuilder -i $file -o xyz -d 2 1 1 --undo --redo], 0, [stdout], [stderr]) 117 117 AT_CHECK([fgrep "Box domain is again" stdout], 0, [ignore], [ignore]) 118 118 AT_CHECK([file=test-x.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore]) … … 123 123 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0) 124 124 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 125 AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 2, 1"--undo --redo], 0, [stdout], [stderr])125 AT_CHECK([../../molecuilder -i $file -o xyz -d 1 2 1 --undo --redo], 0, [stdout], [stderr]) 126 126 AT_CHECK([fgrep "Box domain is again" stdout], 0, [ignore], [ignore]) 127 127 AT_CHECK([file=test-y.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore]) … … 132 132 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0) 133 133 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 134 AT_CHECK([../../molecuilder -i $file -o xyz -d "1, 1, 2"--undo --redo], 0, [stdout], [stderr])134 AT_CHECK([../../molecuilder -i $file -o xyz -d 1 1 2 --undo --redo], 0, [stdout], [stderr]) 135 135 AT_CHECK([fgrep "Box domain is again" stdout], 0, [ignore], [ignore]) 136 136 AT_CHECK([file=test-z.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore]) … … 141 141 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/ec.* .], 0) 142 142 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 143 AT_CHECK([../../molecuilder --parse-tremolo-potentials ec.potentials -i $file -o tremolo -d "2, 2, 2"--undo --redo], 0, [stdout], [stderr])143 AT_CHECK([../../molecuilder --parse-tremolo-potentials ec.potentials -i $file -o tremolo -d 2 2 2 --undo --redo], 0, [stdout], [stderr]) 144 144 AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore]) 145 145 AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/$file], 0, [ignore], [ignore])
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