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
| Line | |
|---|
| 1 | ### fragment the molecule and check the number of configs
|
|---|
| 2 |
|
|---|
| 3 | AT_SETUP([Fragmentation - Automation: Getting results])
|
|---|
| 4 | AT_KEYWORDS([fragmentation automation server resultgetter])
|
|---|
| 5 |
|
|---|
| 6 | # check that ports are unique over all tests such that they may run in parallel
|
|---|
| 7 | WORKERPORT=1045
|
|---|
| 8 | CONTROLLERPORT=1046
|
|---|
| 9 |
|
|---|
| 10 | # start service in background
|
|---|
| 11 | ${AUTOTEST_PATH}/Fragmentation/Automation/Server $WORKERPORT $CONTROLLERPORT &
|
|---|
| 12 | server_pid=$!
|
|---|
| 13 | AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid])
|
|---|
| 14 |
|
|---|
| 15 | # directly obtain 0 results
|
|---|
| 16 | AT_CHECK([${AUTOTEST_PATH}/Fragmentation/Automation/ResultGetter 127.0.0.1 $CONTROLLERPORT], 0, [stdout], [ignore], [kill $server_pid])
|
|---|
| 17 | AT_CHECK([fgrep "RESULT" stdout], 1, [stdout], [ignore], [kill $server_pid])
|
|---|
| 18 |
|
|---|
| 19 | # shutdown
|
|---|
| 20 | AT_CHECK([${AUTOTEST_PATH}/Fragmentation/Automation/Shutdowner 127.0.0.1 $CONTROLLERPORT], 0, [ignore], [ignore], [kill $server_pid])
|
|---|
| 21 |
|
|---|
| 22 | # check that server is truely down
|
|---|
| 23 | AT_CHECK([sleep 1], 0, [ignore], [ignore], [kill $server_pid])
|
|---|
| 24 | AT_CHECK([kill $server_pid], 1, [ignore], [ignore])
|
|---|
| 25 |
|
|---|
| 26 | AT_CLEANUP
|
|---|
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