source: tests/regression/Parser/Xyz/testsuite-parser-xyz-load.at@ f08ae7

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 f08ae7 was 78d5b2, checked in by Frederik Heber <heber@…>, 13 years ago

Added Undo/Redo capability to LoadAction.

  • Added cloning of FormatParser_Parameters before the file is loaded such that FormatParser (here only MpqcParser) is returned to original state.
  • Additionally, we just store molecule's id and the file's prefix and suffix in the undo state.
  • TESTCHANGE: Removed XFAIL's from all Parser load's Undo/Redo tests.
  • Property mode set to 100644
File size: 1.1 KB
RevLine 
[f2230e]1### parsing xyz
2
3AT_SETUP([Parser - loading xyz file])
[e611dc]4AT_KEYWORDS([parser load xyz])
[23b0c2]5
6file=test.xyz
[7db9bd]7AT_CHECK([../../molecuilder -i $file -o xyz -l ${abs_top_srcdir}/tests/regression/Parser/Xyz/pre/test.xyz], 0, [ignore], [ignore])
8AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Xyz/post/test.xyz], 0, [ignore], [ignore])
[23b0c2]9
10AT_CLEANUP
11
12
[e69c87]13AT_SETUP([Parser - loading xyz file with Undo])
[e611dc]14AT_KEYWORDS([parser load xyz undo])
[23b0c2]15
[e69c87]16file=test.xyz
[7db9bd]17AT_CHECK([../../molecuilder -i $file -o xyz -l ${abs_top_srcdir}/tests/regression/Parser/Xyz/pre/test.xyz --undo], 0, [ignore], [ignore])
[aa8cc2]18AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Xyz/post/empty.xyz], 0, [ignore], [ignore])
[e69c87]19
20AT_CLEANUP
21
22
23AT_SETUP([Parser - loading xyz file with Redo])
[e611dc]24AT_KEYWORDS([parser load xyz redo])
[e69c87]25
26file=test.xyz
[7db9bd]27AT_CHECK([../../molecuilder -i $file -o xyz -l ${abs_top_srcdir}/tests/regression/Parser/Xyz/pre/test.xyz --undo --redo], 0, [ignore], [ignore])
28AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Xyz/post/test.xyz], 0, [ignore], [ignore])
[23b0c2]29
[f2230e]30AT_CLEANUP
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