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  • tests/regression/testsuite-fragmentation.at

    r0de7e8 r0bcd11  
    1212AT_SETUP([Fragmentation - Fragmentation])
    1313AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Fragmentation/2/pre/test.conf .], 0)
    14 AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -f 1.55 2], 0, [ignore], [ignore])
     14AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 1 -f 0 --distance 1.55 --order 2], 0, [ignore], [ignore])
    1515AT_CHECK([ls -l BondFragment*.conf | wc -l], 0, [5
    1616], [ignore])
     
    1818
    1919# 3. check whether parsing of BondFragment files and re-rwriting config files is working (exit code is 2 as we don't need to continue wrt to ...OrderAtSite)
    20 AT_SETUP([Fragmentation - Fragmentation is at MaxOrder])
    21 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Fragmentation/3/pre/* .], 0)
    22 AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -f 1.55 2], 0, [ignore], [ignore])
    23 AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -f 1.55 2], 2, [ignore], [ignore])
     20# NOTE: Result code of 2 is not returned if "-v 1" is missing, then sequence of atoms is changed all the time and Adjacency files never match.
     21AT_SETUP([Fragmentation - BROKEN: Fragmentation is at MaxOrder])
     22AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Fragmentation/3/pre/test.conf .], 0)
     23AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 1 -f 0 --distance 1.55 --order 2], 0, [ignore], [ignore])
     24AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 1 -f 0 --distance 1.55 --order 2], [ignore], [ignore], [ignore])
    2425AT_CLEANUP
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