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tests/regression/testsuite-fragmentation.at
r0de7e8 r0bcd11 12 12 AT_SETUP([Fragmentation - Fragmentation]) 13 13 AT_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 1.552], 0, [ignore], [ignore])14 AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 1 -f 0 --distance 1.55 --order 2], 0, [ignore], [ignore]) 15 15 AT_CHECK([ls -l BondFragment*.conf | wc -l], 0, [5 16 16 ], [ignore]) … … 18 18 19 19 # 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. 21 AT_SETUP([Fragmentation - BROKEN: Fragmentation is at MaxOrder]) 22 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Fragmentation/3/pre/test.conf .], 0) 23 AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 1 -f 0 --distance 1.55 --order 2], 0, [ignore], [ignore]) 24 AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 1 -f 0 --distance 1.55 --order 2], [ignore], [ignore], [ignore]) 24 25 AT_CLEANUP
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