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

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Last change on this file since b4e3fe was 7db9bd, checked in by Frederik Heber <heber@…>, 13 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: 3.0 KB
RevLine 
[f2872a]1### 5. (un)select atoms by element
2
3# select element by atomic number: 1, 4
4AT_SETUP([Selection - All atoms with specific element by atomic number])
[718542]5AT_KEYWORDS([selection,atom,element,select-atom-by-element])
[f2872a]6
7file=test-H_missing.xyz
[7db9bd]8AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
[f2872a]9AT_CHECK([chmod u+w $file], 0)
10AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-element 1 -r], 0, [stdout], [stderr])
[7db9bd]11AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test-H_missing.xyz], 0, [ignore], [ignore])
[f2872a]12
13file=test-Be_missing.xyz
[7db9bd]14AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
[f2872a]15AT_CHECK([chmod u+w $file], 0)
16AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-element 4 -r], 0, [stdout], [stderr])
[7db9bd]17AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test-Be_missing.xyz], 0, [ignore], [ignore])
[f2872a]18
19AT_CLEANUP
20
21
22AT_SETUP([Selection - All atoms with specific element by symbol with Undo])
[718542]23AT_KEYWORDS([selection,atom,element,select-atom-by-element,undo])
[f2872a]24
25file=test.xyz
[7db9bd]26AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
[f2872a]27AT_CHECK([chmod u+w $file], 0)
28AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-element 1 --undo -r], 0, [stdout], [stderr])
[7db9bd]29AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test.xyz], 0, [ignore], [ignore])
[f2872a]30
31file=test.xyz
[7db9bd]32AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
[f2872a]33AT_CHECK([chmod u+w $file], 0)
34AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-element 4 --undo -r], 0, [stdout], [stderr])
[7db9bd]35AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test.xyz], 0, [ignore], [ignore])
[f2872a]36
37AT_CLEANUP
38
39AT_SETUP([Selection - All atoms with specific element by symbol with Redo])
[718542]40AT_KEYWORDS([selection,atom,element,select-atom-by-element,redo])
[f2872a]41
42file=test-H_missing.xyz
[7db9bd]43AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
[f2872a]44AT_CHECK([chmod u+w $file], 0)
45AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-element 1 --undo --redo -r], 0, [stdout], [stderr])
[7db9bd]46AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test-H_missing.xyz], 0, [ignore], [ignore])
[f2872a]47
48file=test-Be_missing.xyz
[7db9bd]49AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/pre/test.xyz $file], 0)
[f2872a]50AT_CHECK([chmod u+w $file], 0)
51AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-element 4 --undo --redo -r], 0, [stdout], [stderr])
[7db9bd]52AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByElement/post/test-Be_missing.xyz], 0, [ignore], [ignore])
[f2872a]53
54AT_CLEANUP
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