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  • tests/regression/Fragmentation/FragmentMolecule-MaxOrder/testsuite-fragmentation-fragment-molecule-maxorder.at

    rc8b17b r99b0dc  
    88AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Fragmentation/FragmentMolecule-MaxOrder/pre/test.conf $file], 0)
    99AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
    10 AT_CHECK([../../molecuilder -i $file  -v 1 --select-molecule-by-id 0 -f ./BondFragment --distance 1.55 --order 2], 0, [ignore], [ignore])
    11 AT_CHECK([../../molecuilder -i $file  -v 1 --select-molecule-by-id 0 -f ./BondFragment --distance 1.55 --order 2], 2, [ignore], [ignore])
     10AT_CHECK([../../molecuilder -i $file  -v 1 --select-molecule-by-id 0 -f ./BondFragment --distance 1.55 --order 2 --output-types "pcp"], 0, [ignore], [ignore])
     11AT_CHECK([../../molecuilder -i $file  -v 1 --select-molecule-by-id 0 -f ./BondFragment --distance 1.55 --order 2 --output-types "pcp"], 2, [ignore], [ignore])
    1212
    1313AT_CLEANUP
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