#
# ChangeLog for tests/regression/testsuite-molecules.at
#
# Generated by Trac 1.4.4
# Jan 6, 2025, 11:29:28 AM

Sun, 05 Dec 2010 00:20:07 GMT Frederik Heber <heber@…> [cabb46]
	* src/Actions/Makefile.am (modified)
	* src/Actions/MoleculeAction/LoadAction.cpp (added)
	* src/Actions/MoleculeAction/LoadAction.def (moved)
	* src/Actions/MoleculeAction/LoadAction.hpp (moved)
	* src/Actions/MoleculeAction/SaveAction.cpp (moved)
	* src/Actions/MoleculeAction/SaveAction.def (moved)
	* src/Actions/MoleculeAction/SaveAction.hpp (moved)
	* src/Actions/ParserAction/LoadXyzAction.cpp (deleted)
	* src/Actions/WorldAction/InputAction.cpp (modified)
	* src/Actions/WorldAction/ScaleBoxAction.def (modified)
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParserStorage.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/unittests/ParserCommonUnitTest.cpp (modified)
	* tests/regression/Simple_configuration/2/post/test.conf (modified)
	* tests/regression/Simple_configuration/2/post/test.pdb (modified)
	* tests/regression/Simple_configuration/2/pre/test.conf (added)
	* tests/regression/Simple_configuration/2/pre/test.pdb (added)
	* tests/regression/Simple_configuration/2/pre/test.xyz (modified)
	* tests/regression/testsuite-domain.at (modified)
	* tests/regression/testsuite-molecules.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	Extended LoadXyz and SaveXyz to any format.

	- renamed ...


Sat, 28 Aug 2010 00:58:44 GMT Frederik Heber <heber@…> [1a7fd2]
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/CopyAction.cpp (added)
	* src/Actions/MoleculeAction/CopyAction.def (added)
	* src/Actions/MoleculeAction/CopyAction.hpp (added)
	* tests/regression/Molecules/11/post/test-copy.xyz (added)
	* tests/regression/Molecules/11/pre/test.xyz (added)
	* tests/regression/testsuite-molecules.at (modified)

	New Action MoleculeAction/CopyAction.


Mon, 09 Aug 2010 15:03:05 GMT Frederik Heber <heber@…> [22c44bf]
	* src/Actions/AtomAction/RotateAroundOriginByAngleAction.cpp (added)
	* src/Actions/AtomAction/RotateAroundOriginByAngleAction.hpp (moved)
	* src/Actions/AtomAction/TranslateAction.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/RotateAroundOriginByAngleAction.cpp (deleted)
	* tests/regression/testsuite-molecules.at (modified)

	Changed RotateAroundOriginByAngleAction from acting on molecules to ...


Mon, 09 Aug 2010 14:13:27 GMT Frederik Heber <heber@…> [34c338]
	* src/Actions/AtomAction/TranslateAction.cpp (added)
	* src/Actions/AtomAction/TranslateAction.hpp (moved)
	* src/Actions/Makefile.am (modified)
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.cpp (deleted)
	* tests/regression/testsuite-molecules.at (modified)

	Changed TranslateAction from acting on molecules to acting on ...


Fri, 06 Aug 2010 16:56:59 GMT Frederik Heber <heber@…> [327364]
	* tests/regression/Molecules/8/post/test-rotated-xYz20.xyz (added)
	* tests/regression/Molecules/8/post/test-rotated-z180.xyz (added)
	* tests/regression/Molecules/8/post/test-rotated-z360.xyz (added)
	* tests/regression/Molecules/8/post/test-rotated-z90.xyz (added)
	* tests/regression/Molecules/8/pre/test-rotated-xYz20.xyz (added)
	* tests/regression/Molecules/8/pre/test-rotated-z180.xyz (added)
	* tests/regression/Molecules/8/pre/test-rotated-z360.xyz (added)
	* tests/regression/Molecules/8/pre/test-rotated-z90.xyz (added)
	* tests/regression/Molecules/8/pre/test.conf (deleted)
	* tests/regression/testsuite-molecules.at (modified)

	Rotate to PAS is fixed.

	- was marked BROKEN before in test case, is ...


Fri, 06 Aug 2010 16:49:14 GMT Frederik Heber <heber@…> [31db5b]
	* tests/regression/Molecules/10/post/test-rotated-xYz20.xyz (added)
	* tests/regression/Molecules/10/post/test-rotated-z180.xyz (added)
	* tests/regression/Molecules/10/post/test-rotated-z360.xyz (added)
	* tests/regression/Molecules/10/post/test-rotated-z90.xyz (added)
	* tests/regression/Molecules/10/pre/test.xyz (added)
	* tests/regression/Molecules/9/post/test-rotated-xYz20.xyz (added)
	* tests/regression/Molecules/9/post/test-rotated-z180.xyz (added)
	* tests/regression/Molecules/9/post/test-rotated-z360.xyz (added)
	* tests/regression/Molecules/9/post/test-rotated-z90.xyz (added)
	* tests/regression/Molecules/9/pre/test.xyz (added)
	* tests/regression/testsuite-molecules.at (modified)

	Added test cases for Actions rotate-origin and rotate-self.


Fri, 06 Aug 2010 13:32:00 GMT Frederik Heber <heber@…> [6e5084]
	* src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified)
	* src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp (modified)
	* src/Makefile.am (modified)
	* src/boundary.cpp (modified)
	* src/molecule.hpp (modified)
	* src/molecule_geometry.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Fixed PrincipalAxisSystemAction.

	- ...


Sun, 25 Jul 2010 19:29:18 GMT Frederik Heber <heber@…> [5b5c4d]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/SaveBondsAction.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	TESTFIX: Molecules/* all needed replacement of option --molecule-by- ...


Wed, 07 Jul 2010 08:35:30 GMT Frederik Heber <heber@…> [192f6e]
	* src/CommandLineParser.cpp (modified)
	* tests/regression/testsuite-analysis.at (modified)
	* tests/regression/testsuite-domain.at (modified)
	* tests/regression/testsuite-filling.at (modified)
	* tests/regression/testsuite-fragmentation.at (modified)
	* tests/regression/testsuite-graph.at (modified)
	* tests/regression/testsuite-molecules.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)
	* tests/regression/testsuite-specifics.at (modified)
	* tests/regression/testsuite-standard_options.at (modified)
	* tests/regression/testsuite-tesselation.at (modified)

	FIX: Removed positional action "input".

	- BUG: This caused that ...


Tue, 06 Jul 2010 15:50:04 GMT Frederik Heber <heber@…> [b540f3]
	* src/Actions/MapOfActions.cpp (modified)
	* tests/regression/testsuite-analysis.at (modified)
	* tests/regression/testsuite-domain.at (modified)
	* tests/regression/testsuite-filling.at (modified)
	* tests/regression/testsuite-molecules.at (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)

	changed validate() for VectorValue, parsing not 10. 10. 10. but "10., ...


Tue, 29 Jun 2010 15:37:58 GMT Frederik Heber <heber@…> [8e0c63]
	* src/parser.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	MEMFIX: MatrixContainer::MatrixContainer() made some initial ...


Sun, 27 Jun 2010 00:52:31 GMT Frederik Heber <heber@…> [b2531f]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MapOfActions.hpp (modified)
	* src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified)
	* src/UIElements/QT4/QTMainWindow.cpp (modified)
	* src/UIElements/QT4/QTMainWindow.hpp (modified)
	* src/UIElements/TextUI/TextWindow.cpp (modified)
	* tests/regression/testsuite-filling.at (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Introduced a MenuBar and Menus to the QT interface.

	- new map ...


Fri, 11 Jun 2010 15:52:44 GMT Frederik Heber <heber@…> [a307af]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Case 'S' is now handled by CommandLineUI.


Fri, 11 Jun 2010 15:48:32 GMT Frederik Heber <heber@…> [a02462]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Case 'L' is now handled by CommandLineUI.


Fri, 11 Jun 2010 15:27:20 GMT Frederik Heber <heber@…> [aacce8]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Case 'P' is now handled by CommandLineUI.

	- TESTFIX: ...


Fri, 11 Jun 2010 15:21:51 GMT Frederik Heber <heber@…> [77b2d7]
	* src/Actions/MapOfActions.cpp (modified)
	* src/Actions/MoleculeAction/TranslateAction.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Cases 't' and 'T' are now handled by CommandLineUI.

	- TESTFIX: both ...


Fri, 11 Jun 2010 14:38:34 GMT Frederik Heber <heber@…> [f4bd01]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Case 'A' is now handled by CommandLineUI.

	- TESTFIX: ...


Fri, 11 Jun 2010 14:20:11 GMT Frederik Heber <heber@…> [77de81]
	* src/Actions/MapOfActions.cpp (modified)
	* src/builder.cpp (modified)
	* tests/regression/testsuite-molecules.at (modified)

	Cases 'J' and 'j' are now handled by CommandLineUI.

	- TESTFIX: ...


Sun, 30 May 2010 20:55:12 GMT Frederik Heber <heber@…> [8c574b]
	* tests/regression/testsuite (added)
	* tests/regression/testsuite-analysis.at (added)
	* tests/regression/testsuite-domain.at (added)
	* tests/regression/testsuite-filling.at (added)
	* tests/regression/testsuite-fragmentation.at (added)
	* tests/regression/testsuite-graph.at (added)
	* tests/regression/testsuite-molecules.at (added)
	* tests/regression/testsuite-simple_configuration.at (added)
	* tests/regression/testsuite-specifics.at (added)
	* tests/regression/testsuite-standard_options.at (added)
	* tests/regression/testsuite-tesselation.at (added)
	* tests/regression/testsuite.at (modified)

	Split up testsuite into several at-scripts.

	- the testsuite has ...