Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
Candidate_v1.7.0
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
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
JobMarket_unresolvable_hostname_fix
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Last change
on this file since fbf005 was f3db60, checked in by Frederik Heber <heber@…>, 10 years ago |
|
Added DryRun and NoDryRun actions.
- actions (un)set a flag inside ActionQueue to which only those permitted by an
advocate pattern have access.
- added testsuite tests for both dry-run, no-dry-run, and storing sessions.
- explained use of action in userguide.
|
-
Property mode
set to
100644
|
|
File size:
390 bytes
|
| Line | |
|---|
| 1 | import pyMoleCuilder
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|---|
| 2 | # ========================== Stored Session BEGIN ==========================
|
|---|
| 3 | pyMoleCuilder.CommandDryRun()
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|---|
| 4 | pyMoleCuilder.WorldInput("hydrogen.xyz")
|
|---|
| 5 | pyMoleCuilder.AtomAdd("1", "0,0,0")
|
|---|
| 6 | pyMoleCuilder.SelectionAllAtoms()
|
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| 7 | pyMoleCuilder.AtomTranslate("0,0,0", "0")
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|---|
| 8 | pyMoleCuilder.CommandNoDryRun()
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|---|
| 9 | # =========================== Stored Session END ===========================
|
|---|
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