Action_Thermostats
Add_AtomRandomPerturbation
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
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
stable
|
Last change
on this file since fd4e8c was 415ddd, checked in by Frederik Heber <heber@…>, 11 years ago |
|
ActionQueue now contains a run thread.
- otherwise the progress bar of the QtMainWindow cannot be seen as
waitForResults() takes up all of the executing thread.
- added mutex for operations modifying the queue.
- added ActionQueue::run() and ::stop(), used by friend stopQueue().
- insertAction() now makes use of a tempqueue that is added to true queue
during run() instead of calling the actions directly.
- new stopQueue() in cleanUp.hpp is used by module_exit in pyMoleCuilder and
in main() before saveAll().
- cleanup: printTiming() requires now list of action tokens and added new
stopAndPurgeQueue() to place waiting for Actions to end into extra function.
- added ActionQueue::wait() which allows for synchronization in python scripts,
is ignored in session python scripts. Otherwise we wait for ActionQueue's
queue to empty during execution of load-session which hangs.
- DOCU: added note to python documentation.
- added waitQueue() also to purgeStaticInstances().
- static UIFactory::isFactoryPresent() added that allows checking whether
we have a UI or are executed within a python script (i.e. pyMoleCuilder).
- DOCU: Extended docu on threads and who this affects python scripts.
- TESTFIX: changed regression tests on storing python sessions.
|
-
Property mode
set to
100644
|
|
File size:
912 bytes
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| Line | |
|---|
| 1 | import pyMoleCuilder
|
|---|
| 2 | # ========================== Stored Session BEGIN ==========================
|
|---|
| 3 | i=1
|
|---|
| 4 | print "wait1 begin"
|
|---|
| 5 | pyMoleCuilder.wait()
|
|---|
| 6 | i=2
|
|---|
| 7 | print "wait1 end"
|
|---|
| 8 | pyMoleCuilder.CommandVerbose(str(i))
|
|---|
| 9 | pyMoleCuilder.ParserSetOutputFormats("mpqc tremolo")
|
|---|
| 10 | print "wait2 begin"
|
|---|
| 11 | pyMoleCuilder.wait()
|
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| 12 | i=i+1
|
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| 13 | print "wait2 end"
|
|---|
| 14 | pyMoleCuilder.CommandSetRandomNumbersDistribution("uniform_int", "p=1;")
|
|---|
| 15 | pyMoleCuilder.WorldChangeBox("20,0,0,20,0,20")
|
|---|
| 16 | pyMoleCuilder.AtomAdd("1", "1,1,1")
|
|---|
| 17 | pyMoleCuilder.SelectionAtomById("0 0")
|
|---|
| 18 | print "wait3 begin"
|
|---|
| 19 | pyMoleCuilder.wait()
|
|---|
| 20 | i=i+1
|
|---|
| 21 | print "wait3 end"
|
|---|
| 22 | pyMoleCuilder.GraphSubgraphDissection()
|
|---|
| 23 | pyMoleCuilder.SelectionMoleculeOfAtom()
|
|---|
| 24 | pyMoleCuilder.FillRegularGrid("3 3 3", "0.5,0.5,0.5", "1", "0", "0", "0", "0")
|
|---|
| 25 | pyMoleCuilder.CommandVersion()
|
|---|
| 26 | print "wait4 begin"
|
|---|
| 27 | pyMoleCuilder.wait()
|
|---|
| 28 | i=i+1
|
|---|
| 29 | print "wait4 end"
|
|---|
| 30 | # =========================== Stored Session END ===========================
|
|---|
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