[f2230e] | 1 | ### parsing xyz
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| 2 |
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[7a1dd0] | 3 | AT_SETUP([Parser - loading empty xyz file])
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| 4 | AT_KEYWORDS([parser,xyz,emptyfile])
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[23b0c2] | 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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[e69c87] | 10 |
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[7a1dd0] | 11 | AT_CLEANUP
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| 12 |
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[e69c87] | 13 |
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[f2230e] | 14 | AT_SETUP([Parser - loading xyz file])
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| 15 | AT_KEYWORDS([parser,xyz])
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[23b0c2] | 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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[e69c87] | 24 | AT_SETUP([Parser - loading xyz file with Undo])
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| 25 | AT_XFAIL_IF([/bin/true])
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[23b0c2] | 26 | AT_KEYWORDS([parser,xyz])
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| 27 |
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[e69c87] | 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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[23b0c2] | 42 |
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[f2230e] | 43 | AT_CLEANUP
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| 44 |
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[23b0c2] | 45 |
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[f2230e] | 46 | AT_SETUP([Parser - saving xyz file])
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| 47 | AT_KEYWORDS([parser,xyz])
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[23b0c2] | 48 |
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[f2230e] | 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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[23b0c2] | 51 |
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[f2230e] | 52 | AT_CLEANUP
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