#
# ChangeLog for src/Python/PythonScripting_impl.hpp
#
# Generated by Trac 1.6
# Oct 26, 2025, 11:49:56 PM

Wed, 24 Jan 2024 16:53:03 GMT Frederik Heber <frederik.heber@…> [5a479d]
	* src/Graph/Graph6Writer.cpp (modified)
	* src/Graph/Graph6Writer.hpp (modified)
	* src/Python/PythonScripting_impl.hpp (modified)
	* src/Python/getGraph6String.cpp (modified)
	* src/Python/modules.hpp (modified)

	Added python actions to generate all graph6 strings.

	- graph6 ...


Wed, 19 May 2021 19:06:29 GMT Frederik Heber <frederik.heber@…> [ecc050]
	* doc/userguide/userguide.xml (modified)
	* src/Python/PythonScripting_impl.hpp (modified)
	* src/Python/modules.hpp (modified)
	* src/Python/wait.cpp (modified)
	* src/cleanUp.cpp (modified)
	* src/cleanUp.hpp (modified)

	pyMoleCuilder's wait() has return value.

	- tells whether actions ...


Wed, 19 May 2021 19:06:29 GMT Frederik Heber <frederik.heber@…> [7b1824]
	* src/Python/Makefile.am (modified)
	* src/Python/PythonScripting_impl.hpp (modified)
	* src/Python/export_numpy.cpp (added)

	Exporting numpy getter/setter for positions, velocities, forces.


Fri, 23 Apr 2021 21:02:12 GMT Frederik Heber <frederik.heber@…> [7df863]
	* src/Python/PythonScripting_impl.hpp (modified)

	Added __repr__ to all boost python vector instances.


Fri, 23 Apr 2021 21:01:20 GMT Frederik Heber <frederik.heber@…> [5061d9]
	* doc/userguide/userguide.xml (modified)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/GraphAction/PrintSelectedAtomsAsGraphStringAction.cpp (added)
	* src/Actions/GraphAction/PrintSelectedAtomsAsGraphStringAction.def (added)
	* src/Actions/GraphAction/PrintSelectedAtomsAsGraphStringAction.hpp (added)
	* src/Actions/Makefile.am (modified)
	* src/Graph/Graph6Writer.cpp (added)
	* src/Graph/Graph6Writer.hpp (added)
	* src/Graph/Makefile.am (modified)
	* src/Python/Makefile.am (modified)
	* src/Python/PythonScripting_impl.hpp (modified)
	* src/Python/getGraph6String.cpp (added)
	* src/Python/modules.hpp (modified)
	* tests/regression/Graph/ChemicalSpaceEvaluator/testsuite-graph-chemical-space-evaluator.at (moved)
	* tests/regression/Graph/PrintSelectedAtomsAsGraphString/pre/test.data (added)
	* tests/regression/Graph/PrintSelectedAtomsAsGraphString/testsuite-graph-print-selected-atoms-as-graphstring.at (added)
	* tests/regression/Graph/testsuite-graph.at (modified)
	* tests/regression/Makefile.am (modified)

	Added action to print selected atoms as graph6 string.

	- added ...


Fri, 23 Apr 2021 20:51:43 GMT Frederik Heber <frederik.heber@…> [e70818]
	* src/Python/Makefile.am (modified)
	* src/Python/PythonScripting_impl.hpp (modified)
	* src/Python/getSelectedAtomElements.cpp (modified)
	* src/Python/getSelectedAtomIds.cpp (modified)
	* src/Python/getSelectedAtomPositions.cpp (added)
	* src/Python/modules.hpp (modified)

	Added getSelectedAtomPositions() python function.


Fri, 23 Apr 2021 20:43:45 GMT Frederik Heber <frederik.heber@…> [ea30e6]
	* src/Python/Makefile.am (modified)
	* src/Python/PythonScripting_impl.hpp (modified)
	* src/Python/getSelectedAtomElements.cpp (added)
	* src/Python/getSelectedAtomIds.cpp (added)
	* src/Python/modules.hpp (modified)

	Added python getters for selected atom ids and elements.


Sun, 17 May 2015 07:41:44 GMT Frederik Heber <heber@…> [06993e]
	* src/Python/PythonScripting_impl.hpp (modified)

	FIX: double inclusion protection used already used name.

	- ...


Tue, 20 May 2014 09:14:56 GMT Frederik Heber <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 09:11:52 GMT Frederik Heber <heber@…> [975b83]
	* src/Actions/Action.cpp (modified)
	* src/Actions/Action.hpp (modified)
	* src/Actions/ActionQueue.cpp (modified)
	* src/Actions/ActionQueue.hpp (modified)
	* src/Actions/Action_impl_header.hpp (modified)
	* src/Actions/Action_impl_pre.hpp (modified)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/MakroAction_impl_header.hpp (modified)
	* src/Actions/MakroAction_impl_pre.hpp (modified)
	* src/Python/PythonScripting_impl.hpp (modified)
	* tests/Python/AllActions/moltest.py (modified)

	Added ActionQueue::insertAction().

	- this is preparatory for ...


Tue, 20 May 2014 08:47:10 GMT Frederik Heber <heber@…> [cc6e5c]
	* src/Actions/AnalysisAction/CalculateBoundingBoxAction.def (deleted)
	* src/Actions/AnalysisAction/CalculateBoundingBoxAction.hpp (deleted)
	* src/Actions/AnalysisAction/CalculateCellVolumeAction.def (deleted)
	* src/Actions/AnalysisAction/CalculateCellVolumeAction.hpp (deleted)
	* src/Actions/AnalysisAction/CalculateMolarMassAction.def (deleted)
	* src/Actions/AnalysisAction/CalculateMolarMassAction.hpp (deleted)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/Reaction.hpp (deleted)
	* src/Actions/Reaction_impl.hpp (deleted)
	* src/Actions/Reaction_impl_header.hpp (deleted)
	* src/Actions/Reaction_impl_pre.hpp (deleted)
	* src/Actions/pyMoleCuilder.cpp (deleted)
	* src/Makefile.am (modified)
	* src/Python/Makefile.am (modified)
	* src/Python/PythonScripting_impl.hpp (modified)
	* src/Python/exit.cpp (added)
	* src/Python/getBoundingBox.cpp (moved)
	* src/Python/getDomainVolume.cpp (moved)
	* src/Python/getSelectedMolarMass.cpp (moved)
	* src/Python/modules.hpp (added)
	* src/Python/reinit.cpp (added)
	* tests/Python/ReturnValueActions/testsuite-python-returnvalueactions.at (modified)
	* tests/regression/Analysis/CalculateBoundingBox/testsuite-analysis-calculate-bounding-box.at (deleted)
	* tests/regression/Analysis/CalculateCellVolume/testsuite-analysis-calculate-cell-volume.at (deleted)
	* tests/regression/Analysis/CalculateMolarMass/pre/argon.xyz (deleted)
	* tests/regression/Analysis/CalculateMolarMass/pre/water.xyz (deleted)
	* tests/regression/Analysis/CalculateMolarMass/testsuite-analysis-calculate-molar-mass.at (deleted)
	* tests/regression/Analysis/testsuite-analysis.at (modified)
	* tests/regression/Makefile.am (modified)
	* utils/Python/boxmaker.py.in (modified)

	Replaced Reactions by simple function exported to pyMoleCuilder.

	- ...


Thu, 19 Sep 2013 20:23:53 GMT Frederik Heber <heber@…> [7e3f11a]
	* src/Makefile.am (modified)
	* src/Python/Makefile.am (added)
	* src/Python/PythonScripting.cpp (added)
	* src/Python/PythonScripting.hpp (added)
	* src/Python/PythonScripting_impl.hpp (moved)
	* src/UIElements/Makefile.am (modified)
	* src/builder_init.cpp (modified)

	Moved PythonScripting into own folder and created convenience ...