#
# ChangeLog for src/Python/modules.hpp
#
# Generated by Trac 1.6
# Jan 7, 2026, 9:54:40 AM

Sun, 21 Dec 2025 21:50:22 GMT Frederik Heber <frederik.heber@…> [e4b9d5]
	* src/Python/Makefile.am (modified)
	* src/Python/PythonScripting_impl.hpp (modified)
	* src/Python/export_numpy.cpp (modified)
	* src/Python/getSelectedAtomCount.cpp (added)
	* src/Python/modules.hpp (modified)

	Adds python command getSelectedAtomCount().

	- this avoids needing ...


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 ...


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.


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.

	- ...