#
# ChangeLog for tests/regression/testsuite-molecules.at
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# Generated by Trac 1.4.4
# Mar 30, 2025, 10:07:15 PM
Thu, 03 Feb 2011 09:51:18 GMT Frederik Heber <heber@…> [cb9de4]
* src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def (modified)
* tests/regression/testsuite-molecules.at (modified)
Parameter for rotate-around-self axis is now called 'axis' not ...
Fri, 17 Dec 2010 14:46:59 GMT Frederik Heber <heber@…> [e6f9c5]
* 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-tesselation.at (modified)
Removed all -e ${abs_top_srcdir} from regression tests.
- Now only ...
Thu, 16 Dec 2010 17:32:23 GMT Frederik Heber <heber@…> [c42e60]
* src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp (modified)
* src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def (modified)
* src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp (modified)
* src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def (modified)
* src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.cpp (modified)
* src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.def (modified)
* src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.cpp (modified)
* src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.def (modified)
* src/Descriptors/AtomOfMoleculeSelectionDescriptor.cpp (added)
* src/Descriptors/AtomOfMoleculeSelectionDescriptor.hpp (added)
* src/Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp (added)
* src/Descriptors/MoleculeOfAtomSelectionDescriptor.cpp (added)
* src/Descriptors/MoleculeOfAtomSelectionDescriptor.hpp (added)
* src/Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp (added)
* src/Makefile.am (modified)
* tests/regression/Selection/Atoms/testsuite-selection-atoms-of-molecule.at (modified)
* tests/regression/testsuite-molecules.at (modified)
Two new descriptors: AtomOfMoleculeSelection, ...
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 ...