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testsuite-molecules-rotate-to-principal-axis-system.at@ 43a0ae

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Last change on this file since 43a0ae was e69c87, checked in by Frederik Heber <heber@…>, 13 years ago

Splitted off Undo and Redo parts into own tests (3-step rule).

this way tests are cleaner as there are no old files left.
added lots of Undos/Redos.

Corrected all failing regression tests (of these new Undos/Redos):

new ActionExceptions, specifically ActionFailureException.
Action::call() throws ActionFailureException when returned state_ptr equals failure.
ActionHistory::undoLast(), ::redoLast() also throw when returning state_ptr equals failure.
doUI() checks for thrownActionFailureException and sets World's ExitFlag to 5.
the following Actions have canUndo/shouldUndo now true (although Undo/Redo return Action::failure):
the following Action's regression tests have been corrected when Undo/Redo capability was already present (e.g. empty.conf created for Undo case):
- MoleculeRotateAroundOrigin
- MoleculeRotateAroundSelf
- MoleculeRotateToPrincipalAxisSystem
- MoleculeTranslation (also for periodic)
- MpqcParser
- PcpParser
- PdbParser
- TremoloParser
- XyzParser
FindNonConvexBorder(): status was always returned as false as all CheckListOfBaselines() had been commented out.

Property mode set to 100644

File size: 5.9 KB

Rev	Line
[967b3c]	1	### Rotate to Principal Axis System
	2
	3	AT_SETUP([Molecules - Rotate to PAS])
	4	AT_KEYWORDS([Molecules])
[23b0c2]	5
	6	file=test-rotated-z90.xyz
	7	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz $file], 0)
	8	AT_CHECK([chmod u+w $file], 0)
	9	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1"], 0, [stdout], [stderr])
	10	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
	11
	12	file=test-rotated-z180.xyz
	13	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz $file], 0)
	14	AT_CHECK([chmod u+w $file], 0)
	15	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1"], 0, [stdout], [stderr])
	16	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
	17
	18	file=test-rotated-z360.xyz
	19	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz $file], 0)
	20	AT_CHECK([chmod u+w $file], 0)
	21	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1"], 0, [stdout], [stderr])
	22	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
	23
	24	file=test-rotated-xYz20.xyz
	25	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz $file], 0)
	26	AT_CHECK([chmod u+w $file], 0)
	27	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1"], 0, [stdout], [stderr])
	28	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
	29
[967b3c]	30	AT_CLEANUP
[e69c87]	31
	32
	33	AT_SETUP([Molecules - Rotate to PAS with Undo])
	34	AT_XFAIL_IF([/bin/true])
	35	AT_KEYWORDS([Molecules])
	36
	37	file=test-rotated-z90.xyz
	38	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz $file], 0)
	39	AT_CHECK([chmod u+w $file], 0)
	40	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo], 0, [stdout], [stderr])
	41	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz], 0, [ignore], [ignore])
	42
	43	file=test-rotated-z180.xyz
	44	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz $file], 0)
	45	AT_CHECK([chmod u+w $file], 0)
	46	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo], 0, [stdout], [stderr])
	47	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz], 0, [ignore], [ignore])
	48
	49	file=test-rotated-z360.xyz
	50	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz $file], 0)
	51	AT_CHECK([chmod u+w $file], 0)
	52	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo], 0, [stdout], [stderr])
	53	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz], 0, [ignore], [ignore])
	54
	55	file=test-rotated-xYz20.xyz
	56	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz $file], 0)
	57	AT_CHECK([chmod u+w $file], 0)
	58	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo], 0, [stdout], [stderr])
	59	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
	60
	61	AT_CLEANUP
	62
	63
	64	AT_SETUP([Molecules - Rotate to PAS with Redo])
	65	AT_XFAIL_IF([/bin/true])
	66	AT_KEYWORDS([Molecules])
	67
	68	file=test-rotated-z90.xyz
	69	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz $file], 0)
	70	AT_CHECK([chmod u+w $file], 0)
	71	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo --redo], 0, [stdout], [stderr])
	72	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
	73
	74	file=test-rotated-z180.xyz
	75	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz $file], 0)
	76	AT_CHECK([chmod u+w $file], 0)
	77	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo --redo], 0, [stdout], [stderr])
	78	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
	79
	80	file=test-rotated-z360.xyz
	81	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz $file], 0)
	82	AT_CHECK([chmod u+w $file], 0)
	83	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo --redo], 0, [stdout], [stderr])
	84	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
	85
	86	file=test-rotated-xYz20.xyz
	87	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz $file], 0)
	88	AT_CHECK([chmod u+w $file], 0)
	89	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo --redo], 0, [stdout], [stderr])
	90	AT_CHECK([diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
	91
	92	AT_CLEANUP

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