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
Candidate_v1.7.0
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 55f299 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):
- FindNonConvexBorder(): status was always returned as false as all
CheckListOfBaselines() had been commented out.
|
-
Property mode
set to
100644
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|
File size:
340 bytes
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| Rev | Line | |
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| [e69c87] | 1 | 11
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| 2 | Created by molecuilder on Fri Aug 6 15:40:35 2010
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| 3 | H 9.78209 2.64589 2.64589
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| 4 | H 9.78209 2.64589 4.42589
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| 5 | H 10.672 3.90454 3.53589
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| 6 | H 8.53279 4.78789 2.64589
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| 7 | H 8.53279 4.78789 4.42589
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| 8 | H 6.39363 3.90454 3.53589
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| 9 | H 7.28359 2.64589 2.64589
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| 10 | H 7.28359 2.64589 4.42589
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| 11 | C 9.78209 3.27519 3.53589
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| 12 | C 8.53279 4.15859 3.53589
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| 13 | C 7.28359 3.27519 3.53589
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