source: tests/regression/Options/DryRun/post/session.py@ b5bdb9

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 b5bdb9 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 
1import pyMoleCuilder
2# ========================== Stored Session BEGIN ==========================
3pyMoleCuilder.CommandDryRun()
4pyMoleCuilder.WorldInput("hydrogen.xyz")
5pyMoleCuilder.AtomAdd("1", "0,0,0")
6pyMoleCuilder.SelectionAllAtoms()
7pyMoleCuilder.AtomTranslate("0,0,0", "0")
8pyMoleCuilder.CommandNoDryRun()
9# =========================== Stored Session END ===========================
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