| [512f85] | 1 | ### 5. (un)select atoms by element
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| 2 |
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| 3 | # select element by atomic number: 1, 4
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| 4 | AT_SETUP([Selection - All atoms with specific element by atomic number])
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| 5 | AT_KEYWORDS([selection,atom,element,atomic number])
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| [b9bfa6] | 6 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/pre/test.xyz test-H_missing.xyz], 0)
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| [512f85] | 7 | AT_CHECK([../../molecuilder -i test-H_missing.xyz -v 3 --select-atom-by-element 1 -r], 0, [stdout], [stderr])
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| [b9bfa6] | 8 | AT_CHECK([file=test-H_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/post/$file], 0, [ignore], [ignore])
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| 9 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/pre/test.xyz test-Be_missing.xyz], 0)
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| [512f85] | 10 | AT_CHECK([../../molecuilder -i test-Be_missing.xyz -v 3 --select-atom-by-element 4 -r], 0, [stdout], [stderr])
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| [b9bfa6] | 11 | AT_CHECK([file=test-Be_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/post/$file], 0, [ignore], [ignore])
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| [512f85] | 12 | AT_CLEANUP
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| 13 |
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| 14 | AT_SETUP([Selection - All atoms with specific element by symbol with Undo/Redo])
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| 15 | AT_KEYWORDS([element,symbol])
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| [b9bfa6] | 16 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/pre/test.xyz test.xyz], 0)
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| [512f85] | 17 | AT_CHECK([../../molecuilder -i test.xyz -v 3 --select-atom-by-element 1 --undo -r], 0, [stdout], [stderr])
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| [b9bfa6] | 18 | AT_CHECK([file=test.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/post/$file], 0, [ignore], [ignore])
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| 19 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/pre/test.xyz test.xyz], 0)
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| [512f85] | 20 | AT_CHECK([../../molecuilder -i test.xyz -v 3 --select-atom-by-element 4 --undo -r], 0, [stdout], [stderr])
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| [b9bfa6] | 21 | AT_CHECK([file=test.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/post/$file], 0, [ignore], [ignore])
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| 22 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/pre/test.xyz test-H_missing.xyz], 0)
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| [512f85] | 23 | AT_CHECK([../../molecuilder -i test-H_missing.xyz -v 3 --select-atom-by-element 1 --undo --redo -r], 0, [stdout], [stderr])
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| [b9bfa6] | 24 | AT_CHECK([file=test-H_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/post/$file], 0, [ignore], [ignore])
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| 25 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/pre/test.xyz test-Be_missing.xyz], 0)
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| [512f85] | 26 | AT_CHECK([../../molecuilder -i test-Be_missing.xyz -v 3 --select-atom-by-element 4 --undo --redo -r], 0, [stdout], [stderr])
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| [b9bfa6] | 27 | AT_CHECK([file=test-Be_missing.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomByElement/post/$file], 0, [ignore], [ignore])
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| [512f85] | 28 | AT_CLEANUP |
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