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testsuite-fill-void-with-tenside-molecule.at@ e44956

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Last change on this file since e44956 was ccb487, checked in by Frederik Heber <heber@…>, 13 years ago

TremoloParser now always writes current domain as "# Box ..." into file.

This is important, as format tremolo is essentially also a domain preserving type (i.e. tremolo reads Box from .data file).
TESTFIX: The following regression tests have a "' Box ..." line added to their .data files: Domain/RepeatBox, Filling/FillVoidWithMolecule, Molecules/Copy, Molecules/CreateMicelle, Parser/Tremolo-SetAtomdata.
FIX: Forgot to add testsuite-fill-void-with-tenside-molecule.at to Makefile.am

Property mode set to 100644

File size: 2.1 KB

Rev	Line
[e69c87]	1	### filling box
	2
	3	AT_SETUP([Filling - filling void space besides tenside micelle in box])
[e611dc]	4	AT_KEYWORDS([filling fill-void])
[e69c87]	5
	6	file=tensid.data
[7db9bd]	7	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/pre/tensid.data $file], 0)
	8	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/pre/water.data .], 0)
[e69c87]	9	AT_CHECK([chmod u+w $file], 0)
	10	AT_CHECK([../../molecuilder -i $file -B "30,0,30,0,0,30" --fill-void water.data --distances "3.1, 3.1, 3.1" --distance-to-molecule "2.1" --DoRotate 0], 0, [stdout], [stderr])
[7db9bd]	11	AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/post/tensid.data], 0, [ignore], [ignore])
[e69c87]	12
	13	AT_CLEANUP
	14
	15
	16	AT_SETUP([Filling - filling void space besides tenside micelle in box with Undo])
[e611dc]	17	AT_KEYWORDS([filling fill-void undo])
[e69c87]	18
	19	file=tensid.data
[7db9bd]	20	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/pre/tensid.data $file], 0)
	21	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/pre/water.data .], 0)
[e69c87]	22	AT_CHECK([chmod u+w $file], 0)
	23	AT_CHECK([../../molecuilder -i $file -B "30,0,30,0,0,30" --fill-void water.data --distances "3.1, 3.1, 3.1" --distance-to-molecule "2.1" --DoRotate 0 --undo], 0, [stdout], [stderr])
[ccb487]	24	AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/pre/tensid.data], 0, [ignore], [ignore])
[e69c87]	25
	26	AT_CLEANUP
	27
	28
	29	AT_SETUP([Filling - filling void space besides tenside micelle in box with Redo])
	30	AT_XFAIL_IF([/bin/true])
[e611dc]	31	AT_KEYWORDS([filling fill-void redo])
[e69c87]	32
	33	file=tensid.data
[7db9bd]	34	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/pre/tensid.data $file], 0)
	35	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/pre/water.data .], 0)
[e69c87]	36	AT_CHECK([chmod u+w $file], 0)
	37	AT_CHECK([../../molecuilder -i $file -B "30,0,30,0,0,30" --fill-void water.data --distances "3.1, 3.1, 3.1" --distance-to-molecule "2.1" --DoRotate 0 --undo --redo], 0, [stdout], [stderr])
[7db9bd]	38	AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/post/tensid.data], 0, [ignore], [ignore])
[e69c87]	39
	40	AT_CLEANUP

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