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  • tests/Fragmentations/Fragmenting/2-methylcyclohexanone/testsuite-fragmenting-2-methylcyclohexanone-order3.at

    r878044 r99b0dc  
    1414AT_CHECK([chmod u+w $file], 0)
    1515
    16 AT_CHECK([../../molecuilder -i $file -I --select-molecule-by-id 0 -f $FILENAME --order 3 --distance $DISTANCE], 0, [stdout], [stderr])
    17 AT_CHECK([ls ${FRAGMENTPREFIX}*.conf | wc -l], 0, [stdout], [stderr])
    18 AT_CHECK([grep $FragNo stdout], 0, [stdout], [stderr])
     16AT_CHECK([../../molecuilder -i $file -I --select-molecule-by-id 0 -f $FILENAME --order 3 --distance $DISTANCE  --output-types "mpqc pcp xyz"], 0, [stdout], [stderr])
     17AT_CHECK([ls ${FILENAME}*.conf | wc -l | grep $FragNo], 0, [ignore], [ignore])
     18AT_CHECK([ls ${FILENAME}*.xyz | wc -l | grep $FragNo], 0, [ignore], [ignore])
     19AT_CHECK([ls ${FILENAME}*.in | wc -l | grep $FragNo], 0, [ignore], [ignore])
    1920
    2021AT_CLEANUP
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