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test-sphere.xyz-sorted@ db1048

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Action_Thermostats Add_AtomRandomPerturbation Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChangeBugEmailaddress ChemicalSpaceEvaluator EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_oldresults ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps

Last change on this file since db1048 was e69c87, checked in by Frederik Heber <heber@…>, 14 years ago

Splitted off Undo and Redo parts into own tests (3-step rule).

this way tests are cleaner as there are no old files left.
added lots of Undos/Redos.

Corrected all failing regression tests (of these new Undos/Redos):

new ActionExceptions, specifically ActionFailureException.
Action::call() throws ActionFailureException when returned state_ptr equals failure.
ActionHistory::undoLast(), ::redoLast() also throw when returning state_ptr equals failure.
doUI() checks for thrownActionFailureException and sets World's ExitFlag to 5.
the following Actions have canUndo/shouldUndo now true (although Undo/Redo return Action::failure):
the following Action's regression tests have been corrected when Undo/Redo capability was already present (e.g. empty.conf created for Undo case):
- MoleculeRotateAroundOrigin
- MoleculeRotateAroundSelf
- MoleculeRotateToPrincipalAxisSystem
- MoleculeTranslation (also for periodic)
- MpqcParser
- PcpParser
- PdbParser
- TremoloParser
- XyzParser
FindNonConvexBorder(): status was always returned as false as all CheckListOfBaselines() had been commented out.

Property mode set to 100644

File size: 3.3 KB

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	2	C 8.53279 4.15859 3.53589
	3	C 9.78209 3.27519 3.53589
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	16	H 12.1872 2.85714 0
	17	H 12.1872 2.85714 1.00857
	18	H 12.1872 2.85714 5.71429
	19	H 12.1872 2.85714 6.72285
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[1cc87e]	35	H 3.61574 2.85714 3.86571
[35b698]	36	H 3.61574 2.85714 5.71429
[1cc87e]	37	H 3.61574 2.85714 6.72285
[35b698]	38	H 3.61574 2.85714 8.57143
	39	H 3.61574 5.71429 0
[1cc87e]	40	H 3.61574 5.71429 1.00857
[35b698]	41	H 3.61574 5.71429 2.85714
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[35b698]	43	H 3.61574 5.71429 5.71429
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[35b698]	45	H 3.61574 5.71429 8.57143
	46	H 3.61574 8.57143 1.00857
	47	H 3.61574 8.57143 2.85714
[1cc87e]	48	H 3.61574 8.57143 3.86571
[35b698]	49	H 3.61574 8.57143 5.71429
[1cc87e]	50	H 6.39363 3.90454 3.53589
[35b698]	51	H 6.47289 0 0
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[1cc87e]	54	H 6.47289 0 3.86571
[35b698]	55	H 6.47289 0 5.71429
[1cc87e]	56	H 6.47289 0 6.72285
[35b698]	57	H 6.47289 0 8.57143
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[35b698]	59	H 6.47289 2.85714 0
	60	H 6.47289 2.85714 6.72285
	61	H 6.47289 2.85714 8.57143
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[1cc87e]	66	H 6.47289 5.71429 6.72285
[35b698]	67	H 6.47289 5.71429 8.57143
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[1cc87e]	70	H 6.47289 8.57143 1.00857
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[35b698]	73	H 6.47289 8.57143 5.71429
[1cc87e]	74	H 6.47289 8.57143 6.72285
	75	H 7.28359 2.64589 2.64589
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	86	H 9.33003 2.85714 0
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[1cc87e]	89	H 9.33003 2.85714 9.58
[35b698]	90	H 9.33003 5.71429 0
	91	H 9.33003 5.71429 6.72285
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[35b698]	98	H 9.33003 8.57143 5.71429
[1cc87e]	99	H 9.33003 8.57143 6.72285
	100	H 9.78209 2.64589 2.64589
	101	H 9.78209 2.64589 4.42589
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	106	O 11.4286 2.85714 6.21857
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	108	O 11.4286 5.71429 0.504284
	109	O 11.4286 5.71429 6.21857
	110	O 11.4286 8.57143 3.36143
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	117	O 2.85714 5.71429 0.504284
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	120	O 2.85714 8.57143 3.36143
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	130	O 5.71429 5.71429 9.07571
	131	O 5.71429 8.57143 0.504284
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	143	O 8.57143 8.57143 3.36143
	144	O 8.57143 8.57143 6.21857

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