source: tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-unselect-atoms-by-element.at@ 8d5fde3

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Last change on this file since 8d5fde3 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: 3.2 KB
Line 
1### 5. (un)select atoms by element
2
3
4# select element by atomic number: 1, 4
5AT_SETUP([Unselection - All atoms with specific element by atomic number])
6AT_KEYWORDS([unselection atom element unselect-atom-by-element])
7
8file=test-H_present.xyz
9AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
10AT_CHECK([chmod u+w $file], 0)
11AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-element 1 -r], 0, [stdout], [stderr])
12AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test-H_present.xyz], 0, [ignore], [ignore])
13
14file=test-Be_present.xyz
15AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
16AT_CHECK([chmod u+w $file], 0)
17AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-element 4 -r], 0, [stdout], [stderr])
18AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test-Be_present.xyz], 0, [ignore], [ignore])
19
20AT_CLEANUP
21
22
23AT_SETUP([Unselection - All atoms with specific element by symbol with Undo])
24AT_KEYWORDS([unselection atom element unselect-atom-by-element undo])
25
26file=test.xyz
27AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
28AT_CHECK([chmod u+w $file], 0)
29AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-element 1 --undo -r], 0, [stdout], [stderr])
30AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/empty.xyz], 0, [ignore], [ignore])
31
32file=test.xyz
33AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
34AT_CHECK([chmod u+w $file], 0)
35AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-element 4 --undo -r], 0, [stdout], [stderr])
36AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/empty.xyz], 0, [ignore], [ignore])
37
38AT_CLEANUP
39
40AT_SETUP([Unselection - All atoms with specific element by symbol with Redo])
41AT_KEYWORDS([unselection atom element unselect-atom-by-element redo])
42
43file=test-H_present.xyz
44AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
45AT_CHECK([chmod u+w $file], 0)
46AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-element 1 --undo --redo -r], 0, [stdout], [stderr])
47AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test-H_present.xyz], 0, [ignore], [ignore])
48
49file=test-Be_present.xyz
50AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
51AT_CHECK([chmod u+w $file], 0)
52AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-element 4 --undo --redo -r], 0, [stdout], [stderr])
53AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test-Be_present.xyz], 0, [ignore], [ignore])
54
55AT_CLEANUP
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