Changeset f7054c for tests/GuiChecks/Selection/Molecules

Timestamp:

Jul 28, 2015, 2:03:59 PM (9 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:

c66ae6

Parents:

80f678

git-author:

Frederik Heber <heber@…> (07/19/15 16:13:44)

git-committer:

Frederik Heber <heber@…> (07/28/15 14:03:59)

Message:

TESTFIX: selection molecule by name had escaped ticks.

• also changed GuiCheck tests.

Location:

tests/GuiChecks/Selection/Molecules/MoleculeByName

Files:

• testsuite-selection-select-molecules-by-name.at (modified) (3 diffs)
• testsuite-selection-unselect-molecules-by-name.at (modified) (3 diffs)

tests/GuiChecks/Selection/Molecules/MoleculeByName/testsuite-selection-select-molecules-by-name.at

@@ -26 +26 @@
 targetfile=water.xyz
 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
-AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecule-by-id 0 --select-molecules-by-name \"water\" -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-name.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 0 --change-molname "water" --unselect-molecule-by-id 0 --select-molecules-by-name "water" -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-name.py --session-type python], 0, [stdout], [stderr])
 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-name.py >session-selection-select-molecules-by-name_new.py], 0, [ignore], [ignore])
 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-name_new.py], 0, [stdout], [stderr])
@@ -42 +42 @@
 targetfile=empty.xyz
 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
-AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecule-by-id 0 --select-molecules-by-name \"water\" --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-name.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 0 --change-molname "water" --unselect-molecule-by-id 0 --select-molecules-by-name "water" --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-name.py --session-type python], 0, [stdout], [stderr])
 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-name.py >session-selection-select-molecules-by-name_new.py], 0, [ignore], [ignore])
 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-name_new.py], 0, [stdout], [stderr])
@@ -58 +58 @@
 targetfile=water.xyz
 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
-AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecule-by-id 0 --select-molecules-by-name \"water\" --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-name.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 0 --change-molname "water" --unselect-molecule-by-id 0 --select-molecules-by-name "water" --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-name.py --session-type python], 0, [stdout], [stderr])
 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-name.py >session-selection-select-molecules-by-name_new.py], 0, [ignore], [ignore])
 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-name_new.py], 0, [stdout], [stderr])

tests/GuiChecks/Selection/Molecules/MoleculeByName/testsuite-selection-unselect-molecules-by-name.at

@@ -27 +27 @@
 targetfile=empty.xyz
 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
-AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecules-by-name \"water\" -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-name.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 0 --change-molname "water" --unselect-molecules-by-name "water" -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-name.py --session-type python], 0, [stdout], [stderr])
 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-name.py >session-selection-unselect-molecules-by-name_new.py], 0, [ignore], [ignore])
 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-name_new.py], 0, [stdout], [stderr])
@@ -43 +43 @@
 targetfile=water.xyz
 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
-AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecules-by-name \"water\" --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-name.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 0 --change-molname "water" --unselect-molecules-by-name "water" --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-name.py --session-type python], 0, [stdout], [stderr])
 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-name.py >session-selection-unselect-molecules-by-name_new.py], 0, [ignore], [ignore])
 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-name_new.py], 0, [stdout], [stderr])
@@ -59 +59 @@
 targetfile=empty.xyz
 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
-AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecules-by-name \"water\" --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-name.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 0 --change-molname "water" --unselect-molecules-by-name "water" --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-name.py --session-type python], 0, [stdout], [stderr])
 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-name.py >session-selection-unselect-molecules-by-name_new.py], 0, [ignore], [ignore])
 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-name_new.py], 0, [stdout], [stderr])