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 7db9bd was e69c87, checked in by Frederik Heber <heber@…>, 13 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
|
|
File size:
1.5 KB
|
| Line | |
|---|
| 1 | AT_BANNER([MoleCuilder - Molecules])
|
|---|
| 2 |
|
|---|
| 3 | # Save selected
|
|---|
| 4 | m4_include([Molecules/SaveSelectedMolecules/testsuite-molecules-save-selected-molecules.at])
|
|---|
| 5 |
|
|---|
| 6 | # Bonds from tremolo dbond file
|
|---|
| 7 | m4_include([Molecules/BondFile/testsuite-molecules-tremolo-dbond-file.at])
|
|---|
| 8 |
|
|---|
| 9 | # Bonds from fragmentation bond file
|
|---|
| 10 | m4_include([Molecules/BondFile/testsuite-molecules-fragmentation-bond-file.at])
|
|---|
| 11 |
|
|---|
| 12 | # Storing adjacency info
|
|---|
| 13 | m4_include([Molecules/SaveAdjacency/testsuite-molecules-save-adjacency.at])
|
|---|
| 14 |
|
|---|
| 15 | # Storing bond info
|
|---|
| 16 | m4_include([Molecules/SaveBonds/testsuite-molecules-save-bonds.at])
|
|---|
| 17 |
|
|---|
| 18 | # Storing temperature
|
|---|
| 19 | m4_include([Molecules/SaveTemperature/testsuite-molecules-save-temperature.at])
|
|---|
| 20 |
|
|---|
| 21 | # linear interpolation
|
|---|
| 22 | m4_include([Molecules/LinearInterpolationofTrajectories/testsuite-molecules-linear-interpolation-of-trajectories.at])
|
|---|
| 23 |
|
|---|
| 24 | # Verlet force integration
|
|---|
| 25 | m4_include([Molecules/VerletIntegration/testsuite-molecules-verlet-integration.at])
|
|---|
| 26 |
|
|---|
| 27 | # Translation
|
|---|
| 28 | m4_include([Molecules/Translation/testsuite-molecules-translation.at])
|
|---|
| 29 |
|
|---|
| 30 | # Translation - Periodic
|
|---|
| 31 | m4_include([Molecules/Translation-Periodic/testsuite-molecules-translation-periodic.at])
|
|---|
| 32 |
|
|---|
| 33 | # Rotate to Principal Axis System
|
|---|
| 34 | m4_include([Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at])
|
|---|
| 35 |
|
|---|
| 36 | # Rotate around origin
|
|---|
| 37 | m4_include([Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at])
|
|---|
| 38 |
|
|---|
| 39 | # Rotate around self
|
|---|
| 40 | m4_include([Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at])
|
|---|
| 41 |
|
|---|
| 42 | # copy molecule
|
|---|
| 43 | m4_include([Molecules/Copy/testsuite-molecules-copy-molecule.at])
|
|---|
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