# # ChangeLog for tests/regression/Options/Session # # Generated by Trac 1.6 # Feb 5, 2026, 10:09:18 PM Fri, 19 Dec 2025 23:29:38 GMT Frederik Heber [d2be22] * src/Actions/AtomAction/BondifyAction.cpp (modified) * src/Actions/GraphAction/CreateAdjacencyAction.cpp (modified) * src/Actions/GraphAction/UpdateMoleculesAction.cpp (modified) * src/Actions/MoleculeAction/StretchBondAction.cpp (modified) * src/Graph/BondGraph.hpp (modified) * tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/testsuite-analysis-dipole-angular-correlation-periodic-boundaries.at (modified) * tests/regression/Analysis/DipoleAngularCorrelation/testsuite-analysis-dipole-angular-correlation.at (modified) * tests/regression/Analysis/DipoleCorrelation-DiscreteAngles/testsuite-analysis-dipole-correlation-discrete-angles.at (modified) * tests/regression/Analysis/SurfaceCorrelation/testsuite-analysis-surface-correlation.at (modified) * tests/regression/Atoms/Bondify/testsuite-atoms-bondify.at (modified) * tests/regression/Filling/SuspendInWater/testsuite-suspend-in-water.at (modified) * tests/regression/Fragmentation/FragmentMolecule-MaxOrder/testsuite-fragmentation-fragment-molecule-maxorder.at (modified) * tests/regression/Fragmentation/FragmentMolecule/testsuite-fragmentation-fragment-molecule.at (modified) * tests/regression/Fragmentation/StoreSaturatedFragment/testsuite-fragmentation-store-saturated-fragment.at (modified) * tests/regression/Graph/CreateAdjacency/testsuite-graph-create-adjacency.at (modified) * tests/regression/Graph/DepthFirstSearch/testsuite-graph-depth-first-search.at (modified) * tests/regression/Graph/SubgraphDissection-BoundaryConditions/testsuite-graph-subgraph-dissection_boundary-conditions.at (modified) * tests/regression/Graph/SubgraphDissection/testsuite-graph-subgraph-dissection.at (modified) * tests/regression/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at (modified) * tests/regression/Molecules/Remove/testsuite-molecules-remove.at (modified) * tests/regression/Molecules/SaveAdjacency/testsuite-molecules-save-adjacency.at (modified) * tests/regression/Molecules/SaveBonds/testsuite-molecules-save-bonds.at (modified) * tests/regression/Molecules/SaveSelectedMolecules/testsuite-molecules-save-selected-molecules.at (modified) * tests/regression/Molecules/StretchBond/testsuite-molecules-stretch-bond-cyclic_bond.at (modified) * tests/regression/Molecules/StretchBond/testsuite-molecules-stretch-bond.at (modified) * tests/regression/Options/Session/post/complextest.py (modified) * tests/regression/Options/Session/post/complextest.sh (modified) * tests/regression/Options/Session/pre/complextest.py (modified) * tests/regression/Options/Session/pre/complexwait.py (modified) * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) * tests/regression/Options/Session/testsuite-options-store-session-cli.at (modified) * tests/regression/Options/Session/testsuite-options-store-session-python.at (modified) * tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-select-all-atoms-of-molecule.at (modified) * tests/regression/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-unselect-all-atoms-of-molecule.at (modified) * tests/regression/Selection/Atoms/AtomsNeighbors/testsuite-selection-select-atoms-neighbors.at (modified) * tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-select-all-molecules.at (modified) * tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-unselect-all-molecules.at (modified) * tests/regression/Selection/Molecules/ClearMolecules/testsuite-selection-clear-molecules.at (modified) * tests/regression/Selection/Molecules/InvertMolecules/testsuite-selection-invert-molecules.at (modified) * tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-select-molecules-by-formula.at (modified) * tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-unselect-molecules-by-formula.at (modified) * tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-select-molecule-by-id.at (modified) * tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-unselect-molecule-by-id.at (modified) * tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-select-molecules-by-name.at (modified) * tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-unselect-molecules-by-name.at (modified) * tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-backward.at (modified) * tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-forward.at (modified) * tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-backward.at (modified) * tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-forward.at (modified) * tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-select-atoms-molecules.at (modified) * tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-unselect-atoms-molecules.at (modified) * tests/regression/Selection/Molecules/PopMoleculeSelection/testsuite-selection-pop-molecule-selection.at (modified) * tests/regression/Selection/Molecules/PushMoleculeSelection/testsuite-selection-push-molecule-selection.at (modified) Actions relying on BondGraph fail if not bond table is loaded. - ... Sat, 30 Aug 2025 14:41:40 GMT Frederik Heber [a93896] * src/Python/PythonScripting.cpp (modified) * src/Python/PythonScripting.hpp (modified) * tests/regression/Options/Session/pre/complexwait.py (modified) * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) Ignores pyMoleCuilder import in python script. - TEST: LoadSession ... Sun, 03 Mar 2024 10:13:48 GMT Frederik Heber [02f14d] * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) * tests/regression/Options/Session/testsuite-options-store-session-python.at (modified) Adapting python regression tests to python3. - AT_TESTED cannot ... Fri, 23 Apr 2021 20:31:24 GMT Frederik Heber [b0060a] * src/Python/PythonScripting.cpp (modified) * tests/regression/Options/Session/pre/complexwait.py (modified) Making test code python2&3 compatible. Wed, 11 Apr 2018 06:30:10 GMT Frederik Heber [cd91bd] * tests/Python/AllActions/moltest.py (modified) * tests/Python/AllActions/moltest_check.py (modified) * tests/Python/AllActions/options.dat (modified) * tests/Python/AllActions/testsuite-python-allactions.at (modified) * tests/Python/AllActions/testsuite-python-options_dat.at (modified) * tests/Python/BoxMaker/testsuite-python-boxmaker.at (modified) * tests/Python/ReturnValueActions/testsuite-python-returnvalueactions.at (modified) * tests/regression/Options/DryRun/post/session.py (modified) * tests/regression/Options/DryRun/testsuite-options-dryrun-storesession.at (modified) * tests/regression/Options/Session/post/complextest.py (modified) * tests/regression/Options/Session/post/test.py (modified) * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) * tests/regression/Options/Session/testsuite-options-store-session-python.at (modified) TESTFIX: Changes to test scripts because now keyword arguments are ... Wed, 11 Apr 2018 06:30:10 GMT Frederik Heber [e7ad08] * doc/userguide/userguide.xml (modified) * src/Actions/Action.hpp (modified) * src/Actions/Action_impl_pre.hpp (modified) * src/Actions/Action_impl_python.hpp (modified) * src/Actions/MakroAction_impl_pre.hpp (modified) * tests/Python/AllActions/testsuite-python-options_dat.at (modified) * tests/regression/Options/DryRun/testsuite-options-dryrun-storesession.at (modified) * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) * tests/regression/Options/Session/testsuite-options-store-session-python.at (modified) Python interface now converts dashes in tokens to underscores, store- ... Mon, 19 Jun 2017 08:24:16 GMT Frederik Heber [f79d65] * src/Actions/Values.cpp (modified) * src/Actions/Values.hpp (modified) * src/Parameters/unittests/Makefile.am (modified) * src/UIElements/CommandLineUI/CommandLineParser_validate.cpp (modified) * src/UIElements/CommandLineUI/Query/VectorCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/VectorsCommandLineQuery.cpp (modified) * src/UIElements/Dialog.cpp (modified) * src/UIElements/Dialog.hpp (modified) * src/UIElements/Qt4/Query/QtQuery.hpp (modified) * src/UIElements/Qt4/Query/QtQueryList.hpp (modified) * src/UIElements/Qt4/Query/VectorQtQuery.cpp (modified) * src/UIElements/TextUI/Query/VectorsTextQuery.cpp (modified) * tests/regression/Geometry/DistanceToVector/testsuite-geometry-distance-to-vector.at (modified) * tests/regression/Geometry/InputToVector/testsuite-geometry-input-to-vector.at (modified) * tests/regression/Geometry/PlaneToVector/testsuite-geometry-plane-to-vector.at (modified) * tests/regression/Geometry/PositionToVector/post/test.xyz (modified) * tests/regression/Geometry/PositionToVector/testsuite-geometry-position-to-vector.at (modified) * tests/regression/Options/DryRun/testsuite-options-dryrun-storesession.at (modified) * tests/regression/Options/Session/testsuite-options-store-session-python.at (modified) Vector(s) are now stored as strings in Querys intermediately. - ... Mon, 19 Jun 2017 08:24:16 GMT Frederik Heber [2eded3e] * src/Parameters/Makefile.am (modified) * src/Parameters/Parameter.hpp (modified) * src/Parameters/Specifics/Parameter_vector.cpp (added) * src/Parameters/Specifics/Parameter_vector.hpp (added) * src/Parameters/Specifics/Value_vector.cpp (added) * src/Parameters/Specifics/Value_vector.hpp (added) * src/Parameters/Value.hpp (modified) * src/Parameters/unittests/Makefile.am (modified) * tests/regression/Options/DryRun/testsuite-options-dryrun-storesession.at (modified) * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) Added specific Value and Parameter implemenations for Vector. - for ... Mon, 19 Jun 2017 08:24:16 GMT Frederik Heber [db1048] * src/Actions/Action_impl_pre.hpp (modified) * src/Actions/MakroAction_impl_pre.hpp (modified) * src/Parameters/Value_impl.hpp (modified) * tests/regression/Options/DryRun/testsuite-options-dryrun-storesession.at (modified) * tests/regression/Options/Session/post/complextest.py (modified) * tests/regression/Options/Session/pre/complextest.py (modified) * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) * tests/regression/Options/Session/testsuite-options-store-session-python.at (modified) Moved toPythonString() from Action::outputAsPython() to ... Tue, 03 Feb 2015 08:01:55 GMT Frederik Heber [c0db90] * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) * tests/regression/Options/Session/testsuite-options-store-session-python.at (modified) * tests/regression/Potential/FitParticleCharges/testsuite-potential-fit-particle-charges.at (modified) FIX: We must use --help directly instead of --actionname in checking ... Tue, 20 May 2014 09:14:56 GMT Frederik Heber [415ddd] * src/Actions/ActionQueue.cpp (modified) * src/Actions/ActionQueue.hpp (modified) * src/Python/Makefile.am (modified) * src/Python/PythonScripting_impl.hpp (modified) * src/Python/wait.cpp (added) * src/UIElements/UIFactory.hpp (modified) * src/builder.cpp (modified) * src/builder_init.hpp (modified) * src/cleanUp.cpp (modified) * src/cleanUp.hpp (modified) * src/documentation/Makefile.am (modified) * src/documentation/userinterfaces/python.dox (modified) * tests/regression/Options/Session/pre/complexwait.py (added) * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) * utils/Python/boxmaker.py.in (modified) ActionQueue now contains a run thread. - otherwise the progress bar ... Tue, 20 May 2014 08:47:03 GMT Frederik Heber [0d4168] * src/Actions/Action.cpp (modified) * src/Actions/ActionQueue.cpp (modified) * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * src/Parameters/Parameter_impl.hpp (modified) * src/Parameters/Value_impl.hpp (modified) * src/Parameters/unittests/ContinuousValueTest.cpp (modified) * src/Parameters/unittests/DiscreteValueTest.cpp (modified) * src/UIElements/Dialog.cpp (modified) * src/builder_init.cpp (modified) * tests/regression/Atoms/Add/testsuite-atoms-add.at (modified) * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) * tests/regression/Options/Session/testsuite-options-store-session-python.at (modified) Allow setting of invalid values in Value class, Action::performCall() ... Tue, 29 Apr 2014 12:42:44 GMT Frederik Heber [607245] * tests/regression/Options/Session/pre/complextest.py (added) * tests/regression/Options/Session/pre/test.py (added) * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) TESTFIX: regression test load-session uses python scripts in pre. - ... Tue, 29 Apr 2014 12:42:43 GMT Frederik Heber [f47e00b] * src/Actions/FragmentationAction/MolecularDynamicsAction.hpp (modified) * src/Actions/GraphAction/SubgraphDissectionAction.cpp (modified) * src/Actions/GraphAction/SubgraphDissectionAction.def (modified) * src/Actions/GraphAction/SubgraphDissectionAction.hpp (modified) * src/Actions/MakroAction_impl_pre.hpp (modified) * tests/regression/Options/Session/post/complextest.py (modified) * tests/regression/Options/Session/post/complextest.sh (modified) FIX: SubgraphDissectionAction is now a MakroAction, fixed store- ... Tue, 29 Apr 2014 12:42:22 GMT Frederik Heber [57388c9] * src/Python/PythonScripting.cpp (modified) * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) * tests/regression/Options/Session/testsuite-options-store-session-python.at (modified) FIX: Test on skipping load/store session from python script was wrong ... Mon, 21 Oct 2013 10:33:11 GMT Frederik Heber [5e1443] * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) * tests/regression/Options/Session/testsuite-options-store-session-python.at (modified) DISTFIX: regression tests Options Sessions do not check correctly for ... Thu, 17 Oct 2013 07:24:50 GMT Frederik Heber [92f978] * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) * tests/regression/Options/Session/testsuite-options-store-session-python.at (modified) FIX: store-.. and load-session regression tests were skipped on wrong ... Sat, 21 Sep 2013 08:58:26 GMT Frederik Heber [1f86ae] * tests/regression/Options/Session/testsuite-options-load-session-python.at (modified) * tests/regression/Options/Session/testsuite-options-store-session-python.at (modified) ENABLEFIX: load-session and store-session regression check for ... Thu, 19 Sep 2013 20:23:53 GMT Frederik Heber [12d946] * src/Actions/ActionQueue.cpp (modified) * src/Actions/CommandAction/LoadSessionAction.cpp (added) * src/Actions/CommandAction/LoadSessionAction.def (added) * src/Actions/CommandAction/LoadSessionAction.hpp (added) * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * tests/Python/AllActions/options.dat (modified) * tests/regression/Makefile.am (modified) * tests/regression/Options/Session/testsuite-options-load-session-python.at (added) * tests/regression/Options/testsuite-options.at (modified) Implemented LoadSessionAction. - this it also used in ... Thu, 19 Sep 2013 20:23:53 GMT Frederik Heber [9928395] * src/Actions/Action_impl_pre.hpp (modified) * src/Actions/Makefile.am (modified) * src/Actions/MakroAction.cpp (modified) * src/Actions/MakroAction_impl_pre.hpp (modified) * src/Actions/Reaction_impl_pre.hpp (modified) * src/Actions/toPythonString.cpp (added) * src/Actions/toPythonString.hpp (added) * tests/regression/Options/Session/post/complextest.py (added) * tests/regression/Options/Session/testsuite-options-store-session-python.at (modified) Added more complex python example to regression test of store ... Thu, 19 Sep 2013 20:23:53 GMT Frederik Heber [893426] * configure.ac (modified) * tests/regression/Makefile.am (modified) * tests/regression/Options/Session/post/complextest.sh (added) * tests/regression/Options/Session/testsuite-options-store-session-cli.at (added) * tests/regression/Options/Session/testsuite-options-store-session-python.at (moved) * tests/regression/Options/testsuite-options.at (modified) * tests/regression/runpython.in (added) Split regression test testsuite-options-store-session in two files. ... Thu, 19 Sep 2013 20:23:53 GMT Frederik Heber [9e4655] * src/Actions/ActionQueue.cpp (modified) * src/Actions/CommandAction/StoreSessionAction.cpp (modified) * src/Actions/CommandAction/StoreSessionAction.def (modified) * src/Parameters/Makefile.am (modified) * src/Parameters/Validators/Specific/SessionTypeValidator.cpp (added) * src/Parameters/Validators/Specific/SessionTypeValidator.hpp (added) * tests/Python/AllActions/options.dat (modified) * tests/regression/Options/Session/post/test.py (added) Added sessiontype option to StoreSessionAction. - added ... Thu, 19 Sep 2013 20:23:53 GMT Frederik Heber [f6ff216] * src/Actions/Action_impl_pre.hpp (modified) * src/Actions/MakroAction_impl_pre.hpp (modified) * src/Actions/Reaction_impl_pre.hpp (modified) * tests/regression/Options/Session/post/test.sh (modified) FIX: Removed " " around every printed parameter. Thu, 19 Sep 2013 20:23:52 GMT Frederik Heber [bad589] * src/Actions/ActionQueue.cpp (modified) * src/Actions/CommandAction/StoreSessionAction.cpp (added) * src/Actions/CommandAction/StoreSessionAction.def (added) * src/Actions/CommandAction/StoreSessionAction.hpp (added) * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * tests/Python/AllActions/options.dat (modified) * tests/regression/Makefile.am (modified) * tests/regression/Options/Session/post/test.sh (added) * tests/regression/Options/Session/testsuite-options-store-session.at (added) * tests/regression/Options/testsuite-options.at (modified) Added StoreSessionAction to store the current session to file.