1 | ### change the element
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2 |
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3 | AT_SETUP([Atoms - Changing element])
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4 | AT_KEYWORDS([atoms,change-element])
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5 |
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6 | file=test.xyz
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7 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/pre/test.xyz $file], 0)
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8 | AT_CHECK([chmod u+w $file], 0)
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9 | AT_CHECK([../../molecuilder -i $file --select-atom-by-id 0 -E 6 ], 0, [ignore], [ignore])
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10 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/post/test.xyz], 0, [ignore], [ignore])
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11 |
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12 | AT_CLEANUP
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13 |
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14 |
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15 | AT_SETUP([Atoms - Changing element with Undo])
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16 | AT_KEYWORDS([atoms,change-element,undo])
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17 |
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18 | file=test.xyz
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19 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/pre/test.xyz $file], 0)
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20 | AT_CHECK([chmod u+w $file], 0)
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21 | AT_CHECK([../../molecuilder -i $file --select-atom-by-id 0 -E 6 --undo], 0, [ignore], [ignore])
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22 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/post/test-undo.xyz], 0, [ignore], [ignore])
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23 |
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24 | AT_CLEANUP
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25 |
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26 |
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27 | AT_SETUP([Atoms - Changing element with Redo])
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28 | AT_KEYWORDS([atoms,change-element,redo])
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29 |
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30 | file=test.xyz
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31 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/pre/test.xyz $file], 0)
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32 | AT_CHECK([chmod u+w $file], 0)
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33 | AT_CHECK([../../molecuilder -i $file --select-atom-by-id 0 -E 6 --undo --redo], 0, [ignore], [ignore])
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34 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/post/test.xyz], 0, [ignore], [ignore])
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35 |
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36 | AT_CLEANUP
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