source: tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-unselect-atoms-by-element.at@ b4e3fe

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Last change on this file since b4e3fe was 7db9bd, checked in by Frederik Heber <heber@…>, 14 years ago

DISTCHECKFIX: Replaced AUTOTEST_PATH by real path (e.g. tests/regression).

  • this corrects VPATH problems with 'make distcheck'.
  • Property mode set to 100644
File size: 3.2 KB
RevLine 
[512f85]1### 5. (un)select atoms by element
2
[93eb00]3
4# select element by atomic number: 1, 4
5AT_SETUP([Unselection - All atoms with specific element by atomic number])
[718542]6AT_KEYWORDS([unselection,atom,element,unselect-atom-by-element])
[93eb00]7
8file=test-H_present.xyz
[7db9bd]9AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
[93eb00]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])
[7db9bd]12AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test-H_present.xyz], 0, [ignore], [ignore])
[93eb00]13
14file=test-Be_present.xyz
[7db9bd]15AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
[93eb00]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])
[7db9bd]18AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test-Be_present.xyz], 0, [ignore], [ignore])
[93eb00]19
20AT_CLEANUP
21
22
23AT_SETUP([Unselection - All atoms with specific element by symbol with Undo])
[718542]24AT_KEYWORDS([unselection,atom,element,unselect-atom-by-element,undo])
[93eb00]25
26file=test.xyz
[7db9bd]27AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
[93eb00]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])
[7db9bd]30AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/empty.xyz], 0, [ignore], [ignore])
[93eb00]31
32file=test.xyz
[7db9bd]33AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
[93eb00]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])
[7db9bd]36AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/empty.xyz], 0, [ignore], [ignore])
[93eb00]37
38AT_CLEANUP
39
40AT_SETUP([Unselection - All atoms with specific element by symbol with Redo])
[718542]41AT_KEYWORDS([unselection,atom,element,unselect-atom-by-element,redo])
[93eb00]42
43file=test-H_present.xyz
[7db9bd]44AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
[93eb00]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])
[7db9bd]47AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test-H_present.xyz], 0, [ignore], [ignore])
[93eb00]48
49file=test-Be_present.xyz
[7db9bd]50AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
[93eb00]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])
[7db9bd]53AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test-Be_present.xyz], 0, [ignore], [ignore])
[93eb00]54
[512f85]55AT_CLEANUP
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