Changeset bd81f9 for tests/Python/AllActions

Timestamp:

Jul 11, 2012, 1:02:17 PM (12 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:

8a4b88

Parents:

0174b62 (diff), 5ffa05 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

git-author:

Frederik Heber <heber@…> (07/11/12 10:53:51)

git-committer:

Frederik Heber <heber@…> (07/11/12 13:02:17)

Message:

Merge branch 'Candidate_v1.3.0' into stable

Conflicts:

src/Actions/unittests/stubs/DummyUI.hpp
src/UIElements/CommandLineUI/CommandLineDialog.cpp
src/UIElements/CommandLineUI/CommandLineDialog.hpp
src/UIElements/Dialog.cpp
src/UIElements/Dialog.hpp
src/UIElements/Makefile.am
src/UIElements/Qt4/QtDialog.cpp
src/UIElements/Qt4/QtDialog.hpp
src/UIElements/TextUI/TextDialog.cpp
src/UIElements/TextUI/TextDialog.hpp

• File_s_Query was not yet adapted to the new Parameter and Validator structure introduced in v1.2.5.
• new Action FragmentationAutomationAction lacked paramvalids.
• adapted FilesQuery for all UIs, especially FilesTextQuery.

File:

• tests/Python/AllActions/options.dat (modified) (2 diffs)

tests/Python/AllActions/options.dat

@@ -70 +70 @@
 fill-void       "water.data"
 fill-void       "water.xyz"
+fragment-executable     "mpqc"
+fragment-jobs   "Job00.in"
 fragment-molecule       "./"
+fragment-path   "test/"
 id-mapping      "1"
 input   "test.data"
@@ -161 +164 @@
 select-molecules-by-formula     "H2O"
 select-molecules-by-name        "water"
+server-address  "127.0.0.1"
+server-port     "1026"
 set-boundary-conditions "Wrap, Wrap, Wrap"
 set-parser-parameters   "basis = 4-31G"