source: tests/regression/Filling/FillVoidWithMolecule/testsuite-fill-void-with-tenside-molecule.at@ 693a80

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Last change on this file since 693a80 was e611dc, checked in by Frederik Heber <heber@…>, 13 years ago

FIX: AT_KEYWORDS requires _space_-separated list of keywords.
  • Property mode set to 100644
File size: 2.1 KB
Line 
1### filling box
2
3AT_SETUP([Filling - filling void space besides tenside micelle in box])
4AT_KEYWORDS([filling fill-void])
5
6file=tensid.data
7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/pre/tensid.data $file], 0)
8AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/pre/water.data .], 0)
9AT_CHECK([chmod u+w $file], 0)
10AT_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])
11AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/post/tensid.data], 0, [ignore], [ignore])
12
13AT_CLEANUP
14
15
16AT_SETUP([Filling - filling void space besides tenside micelle in box with Undo])
17AT_XFAIL_IF([/bin/true])
18AT_KEYWORDS([filling fill-void undo])
19
20file=tensid.data
21AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/pre/tensid.data $file], 0)
22AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/pre/water.data .], 0)
23AT_CHECK([chmod u+w $file], 0)
24AT_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])
25AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/post/tensid.data], 0, [ignore], [ignore])
26
27AT_CLEANUP
28
29
30AT_SETUP([Filling - filling void space besides tenside micelle in box with Redo])
31AT_XFAIL_IF([/bin/true])
32AT_KEYWORDS([filling fill-void redo])
33
34file=tensid.data
35AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/pre/tensid.data $file], 0)
36AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/pre/water.data .], 0)
37AT_CHECK([chmod u+w $file], 0)
38AT_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])
39AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Filling/FillVoidWithMolecule/post/tensid.data], 0, [ignore], [ignore])
40
41AT_CLEANUP
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