Changeset 893426 for tests/regression/Options

Timestamp:

Sep 19, 2013, 8:23:53 PM (11 years ago)

Author:

Frederik Heber <heber@…>

Branches:

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

Children:

992839

Parents:

9e4655

git-author:

Frederik Heber <heber@…> (08/26/13 14:41:24)

git-committer:

Frederik Heber <heber@…> (09/19/13 20:23:53)

Message:

Split regression test testsuite-options-store-session in two files.

• added more complex regression test for CLI.

Location:

tests/regression/Options

Files:

• Session/post/complextest.sh (added)
• Session/testsuite-options-store-session-cli.at (added)
• Session/testsuite-options-store-session-python.at (moved) (moved from tests/regression/Options/Session/testsuite-options-store-session.at ) (2 diffs)
• testsuite-options.at (modified) (1 diff)

tests/regression/Options/Session/testsuite-options-store-session-python.at

@@ -1 +1 @@
 #
 #    MoleCuilder - creates and alters molecular systems
-#    Copyright (C) 2008-2012 University of Bonn
+#    Copyright (C) 2013 Frederik Heber
 #
 #    This program is free software: you can redistribute it and/or modify
@@ -18 +18 @@
 ### store session
 
-AT_SETUP([Standard Options - store session])
+AT_SETUP([Standard Options - store session as Python])
 AT_KEYWORDS([options store-session])
-#AT_TESTED([bash diff])
+AT_TESTED([python diff])
 
 # check that session is stored and can be executed when correctly prefixed
-file=test.sh
-AT_DATA([$file], [../../molecuilder \ 
-])
-AT_CHECK([../../molecuilder --verbose 2 --version --store-session $file], 0, [ignore], [ignore])
+file=test.py
+AT_CHECK([../../molecuilder --verbose 2 --version --store-session $file --session-type "python"], 0, [ignore], [ignore])
 AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Options/Session/post/$file], 0, [ignore], [ignore]) 
-AT_CHECK([bash ./$file], 0, [ignore], [ignore])
+AT_CHECK([../../runpython ./$file], 0, [ignore], [ignore])
 
 AT_CLEANUP

tests/regression/Options/testsuite-options.at

@@ -50 +50 @@
 
 # test store sessions
-m4_include([Options/Session/testsuite-options-store-session.at])
+m4_include([Options/Session/testsuite-options-store-session-cli.at])
+m4_include([Options/Session/testsuite-options-store-session-python.at])