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 718542 was 718542, checked in by Frederik Heber <heber@…>, 13 years ago |
Filled action's token as keyword in each test.
- also all keywords are now lower case.
- undo and redo are listed as keywords as well if applicable.
- FIX: Removed check for present molecules from SelectionActions. When none can
be selected, this must not yield in failure of the Action but is perfectly
acceptable.
|
-
Property mode
set to
100644
|
File size:
814 bytes
|
Line | |
---|
1 | ### fast trajectory parsing
|
---|
2 |
|
---|
3 | AT_SETUP([Standard Options - fast trajectories])
|
---|
4 | AT_KEYWORDS([options,fastparsing])
|
---|
5 |
|
---|
6 | AT_CHECK([../../molecuilder -i test.conf -n 1], 0, [stdout], [stderr])
|
---|
7 | AT_CHECK([fgrep "I won't parse trajectories" stdout], 0, [ignore], [ignore])
|
---|
8 |
|
---|
9 | AT_CLEANUP
|
---|
10 |
|
---|
11 | AT_SETUP([Standard Options - fast trajectories with Undo])
|
---|
12 | AT_KEYWORDS([options,fastparsing,undo])
|
---|
13 |
|
---|
14 | AT_CHECK([../../molecuilder -i test.conf -n 1 --undo], 0, [stdout], [stderr])
|
---|
15 | AT_CHECK([fgrep "I will parse trajectories." stdout], 0, [ignore], [ignore])
|
---|
16 |
|
---|
17 | AT_CLEANUP
|
---|
18 |
|
---|
19 |
|
---|
20 | AT_SETUP([Standard Options - fast trajectories with Redo])
|
---|
21 | AT_KEYWORDS([options,fastparsing,redo])
|
---|
22 |
|
---|
23 | AT_CHECK([../../molecuilder -i test.conf -n 1 --undo --redo], 0, [stdout], [stderr])
|
---|
24 | AT_CHECK([grep -c "I won't parse trajectories" stdout], 0, 2
|
---|
25 | , [ignore])
|
---|
26 |
|
---|
27 | AT_CLEANUP
|
---|
Note:
See
TracBrowser
for help on using the repository browser.