1 | ### parsing xyz
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2 |
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3 | AT_SETUP([Parser - loading empty xyz file])
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4 | AT_KEYWORDS([parser,xyz,emptyfile])
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5 |
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6 | file=empty.xyz
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7 | AT_CHECK([/bin/cp ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/pre/empty.xyz $file], 0, [ignore], [ignore])
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8 | AT_CHECK([chmod u+w $file], 0)
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9 | AT_CHECK([../../molecuilder -i $file -o xyz], 0, [ignore], [ignore])
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10 |
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11 | AT_CLEANUP
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12 |
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13 |
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14 | AT_SETUP([Parser - loading xyz file])
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15 | AT_KEYWORDS([parser,xyz])
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16 |
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17 | file=test.xyz
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18 | AT_CHECK([../../molecuilder -i $file -o xyz -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/pre/test.xyz], 0, [ignore], [ignore])
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19 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/post/test.xyz], 0, [ignore], [ignore])
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20 |
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21 | AT_CLEANUP
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22 |
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23 |
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24 | AT_SETUP([Parser - loading xyz file with Undo])
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25 | AT_XFAIL_IF([/bin/true])
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26 | AT_KEYWORDS([parser,xyz])
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27 |
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28 | file=test.xyz
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29 | AT_CHECK([../../molecuilder -i $file -o xyz -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/pre/test.xyz --undo], 0, [ignore], [ignore])
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30 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/post/empty.xyz], 0, [ignore], [ignore])
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31 |
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32 | AT_CLEANUP
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33 |
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34 |
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35 | AT_SETUP([Parser - loading xyz file with Redo])
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36 | AT_XFAIL_IF([/bin/true])
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37 | AT_KEYWORDS([parser,xyz])
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38 |
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39 | file=test.xyz
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40 | AT_CHECK([../../molecuilder -i $file -o xyz -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/pre/test.xyz --undo --redo], 0, [ignore], [ignore])
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41 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/post/test.xyz], 0, [ignore], [ignore])
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42 |
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43 | AT_CLEANUP
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44 |
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45 |
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46 | AT_SETUP([Parser - saving xyz file])
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47 | AT_KEYWORDS([parser,xyz])
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48 |
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49 | AT_CHECK([../../molecuilder -i test.xyz -o xyz -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/pre/test.xyz --output store.xyz], 0, [ignore], [ignore])
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50 | AT_CHECK([diff -I '.*Created by molecuilder.*' store.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Xyz/post/test.xyz], 0, [ignore], [ignore])
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51 |
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52 | AT_CLEANUP
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