Changeset 599b32 for tests/GuiChecks/Filling/FillVolume
- Timestamp:
- Jul 23, 2015, 10:34:39 PM (10 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:
- d12d818
- Parents:
- a4dee7
- git-author:
- Frederik Heber <heber@…> (06/18/15 01:53:44)
- git-committer:
- Frederik Heber <heber@…> (07/23/15 22:34:39)
- Location:
- tests/GuiChecks/Filling/FillVolume
- Files:
-
- 5 edited
-
testsuite-fill-volume-cube.at (modified) (1 diff)
-
testsuite-fill-volume-cylinder.at (modified) (3 diffs)
-
testsuite-fill-volume-everywhere.at (modified) (1 diff)
-
testsuite-fill-volume-nowhere.at (modified) (1 diff)
-
testsuite-fill-volume-sphere.at (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
-
tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-cube.at
ra4dee7 r599b32 26 26 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 27 27 AT_CHECK([ 28 ../../molecuilder \ 29 -i $file \ 30 -o xyz \ 31 -l water.xyz \ 32 --select-all-molecules \ 33 --create-shape \ 34 --shape-name "cube" \ 35 --shape-type cube \ 36 --translation 5,5,5 \ 37 --stretch 3,3,3 \ 38 --select-shape-by-name "cube" \ 39 --fill-volume \ 40 --count 12], 0, [stdout], [stderr]) 28 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "cube" --shape-type cube --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "cube" --fill-volume --count 12], 0, [stdout], [stderr]) 41 29 #AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) 42 30 -
tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-cylinder.at
ra4dee7 r599b32 24 24 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 25 25 AT_CHECK([ 26 ../../molecuilder \ 27 -i $file \ 28 -o xyz \ 29 -l water.xyz \ 30 --select-all-molecules \ 31 --create-shape \ 32 --shape-name "cylinder" \ 33 --shape-type cylinder \ 34 --translation 5,5,5 \ 35 --stretch 3,3,3 \ 36 --select-shape-by-name "cylinder" \ 37 --fill-volume \ 38 --count 12], 0, [stdout], [stderr]) 26 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "cylinder" --shape-type cylinder --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "cylinder" --fill-volume --count 12], 0, [stdout], [stderr]) 39 27 AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) 40 28 … … 48 36 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 49 37 AT_CHECK([ 50 ../../molecuilder \ 51 -i $file \ 52 -o xyz \ 53 -l water.xyz \ 54 --select-all-molecules \ 55 --create-shape \ 56 --shape-name "cylinder" \ 57 --shape-type cylinder \ 58 --translation 5,5,5 \ 59 --stretch 3,3,3 \ 60 --select-shape-by-name "cylinder" \ 61 --fill-volume \ 62 --count 12 \ 63 --undo], 0, [stdout], [stderr]) 38 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "cylinder" --shape-type cylinder --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "cylinder" --fill-volume --count 12 --undo], 0, [stdout], [stderr]) 64 39 AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/water_undo.xyz], 0, [ignore], [ignore]) 65 40 … … 73 48 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 74 49 AT_CHECK([ 75 ../../molecuilder \ 76 -i $file \ 77 -o xyz \ 78 -l water.xyz \ 79 --select-all-molecules \ 80 --create-shape \ 81 --shape-name "cylinder" \ 82 --shape-type cylinder \ 83 --translation 5,5,5 \ 84 --stretch 3,3,3 \ 85 --select-shape-by-name "cylinder" \ 86 --fill-volume \ 87 --count 12 \ 88 --undo \ 89 --redo], 0, [stdout], [stderr]) 50 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "cylinder" --shape-type cylinder --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "cylinder" --fill-volume --count 12 --undo --redo], 0, [stdout], [stderr]) 90 51 AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) 91 52 -
tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-everywhere.at
ra4dee7 r599b32 25 25 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 26 26 AT_CHECK([ 27 ../../molecuilder \ 28 -i $file \ 29 -o xyz \ 30 -l water.xyz \ 31 --select-all-molecules \ 32 --create-shape \ 33 --shape-name "everywhere" \ 34 --shape-type everywhere \ 35 --translation 5,5,5 \ 36 --stretch 3,3,3 \ 37 --select-shape-by-name "everywhere" \ 38 --fill-volume \ 39 --count 12], 5, [stdout], [stderr]) 27 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "everywhere" --shape-type everywhere --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "everywhere" --fill-volume --count 12], 5, [stdout], [stderr]) 40 28 #AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) 41 29 -
tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-nowhere.at
ra4dee7 r599b32 25 25 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 26 26 AT_CHECK([ 27 ../../molecuilder \ 28 -i $file \ 29 -o xyz \ 30 -l water.xyz \ 31 --select-all-molecules \ 32 --create-shape \ 33 --shape-name "nowhere" \ 34 --shape-type nowhere \ 35 --translation 5,5,5 \ 36 --stretch 3,3,3 \ 37 --select-shape-by-name "nowhere" \ 38 --fill-volume \ 39 --count 12], 5, [stdout], [stderr]) 27 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "nowhere" --shape-type nowhere --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "nowhere" --fill-volume --count 12], 5, [stdout], [stderr]) 40 28 #AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) 41 29 -
tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-sphere.at
ra4dee7 r599b32 26 26 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 27 27 AT_CHECK([ 28 ../../molecuilder \ 29 -i $file \ 30 -o xyz \ 31 -l water.xyz \ 32 --select-all-molecules \ 33 --create-shape \ 34 --shape-name "sphere" \ 35 --shape-type sphere \ 36 --translation 5,5,5 \ 37 --stretch 3,3,3 \ 38 --select-shape-by-name "sphere" \ 39 --fill-volume \ 40 --count 12], 0, [stdout], [stderr]) 28 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "sphere" --shape-type sphere --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "sphere" --fill-volume --count 12], 0, [stdout], [stderr]) 41 29 #AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) 42 30
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