source: tests/regression/Selection/Atoms/testsuite-selection-atoms-by-element.at@ febef3

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Last change on this file since febef3 was 512f85, checked in by Frederik Heber <heber@…>, 14 years ago

Added regression test for each SelectionAction on atoms.

  • Moved testsuite-selection.at to subfolder Selection.
  • testsuite-selection.at just contains includes for each Action.
  • Therein subfolder Atoms contains:
    • testsuite-selection-....at: one for each Action.
    • all folders with pre and post files.
  • all tests include Undo/Redo and select/unselect
  • each regression file has been tested thoroughly, especially for cuboid and sphere selection.
  • Property mode set to 100644
File size: 2.6 KB
RevLine 
[512f85]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])
5AT_KEYWORDS([selection,atom,element,atomic number])
6AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/pre/test.xyz test-H_missing.xyz], 0)
7AT_CHECK([../../molecuilder -i test-H_missing.xyz -v 3 --select-atom-by-element 1 -r], 0, [stdout], [stderr])
8AT_CHECK([file=test-H_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/post/$file], 0, [ignore], [ignore])
9AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/pre/test.xyz test-Be_missing.xyz], 0)
10AT_CHECK([../../molecuilder -i test-Be_missing.xyz -v 3 --select-atom-by-element 4 -r], 0, [stdout], [stderr])
11AT_CHECK([file=test-Be_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/post/$file], 0, [ignore], [ignore])
12AT_CLEANUP
13
14AT_SETUP([Selection - All atoms with specific element by symbol with Undo/Redo])
15AT_KEYWORDS([element,symbol])
16AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/pre/test.xyz test.xyz], 0)
17AT_CHECK([../../molecuilder -i test.xyz -v 3 --select-atom-by-element 1 --undo -r], 0, [stdout], [stderr])
18AT_CHECK([file=test.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/post/$file], 0, [ignore], [ignore])
19AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/pre/test.xyz test.xyz], 0)
20AT_CHECK([../../molecuilder -i test.xyz -v 3 --select-atom-by-element 4 --undo -r], 0, [stdout], [stderr])
21AT_CHECK([file=test.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/post/$file], 0, [ignore], [ignore])
22AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/pre/test.xyz test-H_missing.xyz], 0)
23AT_CHECK([../../molecuilder -i test-H_missing.xyz -v 3 --select-atom-by-element 1 --undo --redo -r], 0, [stdout], [stderr])
24AT_CHECK([file=test-H_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/post/$file], 0, [ignore], [ignore])
25AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/pre/test.xyz test-Be_missing.xyz], 0)
26AT_CHECK([../../molecuilder -i test-Be_missing.xyz -v 3 --select-atom-by-element 4 --undo --redo -r], 0, [stdout], [stderr])
27AT_CHECK([file=test-Be_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/5/post/$file], 0, [ignore], [ignore])
28AT_CLEANUP
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