### parsing mpqc

AT_SETUP([Parser - loading mpqc file])
AT_KEYWORDS([parser,mpqc])
AT_XFAIL_IF([/bin/true])
AT_CHECK([../../molecuilder -i test.in  -o mpqc -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/pre/test.in], 0, [ignore], [ignore])
AT_CHECK([file=test.in; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/post/$file], 0, [ignore], [ignore])
AT_CLEANUP

AT_SETUP([Parser - storing mpqc from loaded xyz file])
AT_KEYWORDS([parser,mpqc,xyz])
AT_CHECK([../../molecuilder -i test.xyz  -o mpqc -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/pre/test.xyz], 0, [ignore], [ignore])
AT_CHECK([file=test.in; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/post/$file], 0, [ignore], [ignore])
AT_CLEANUP

AT_SETUP([Parser - saving mpqc (from parsed xyz) file])
AT_KEYWORDS([parser,mpqc,xyz])
AT_CHECK([../../molecuilder -i test.xyz  -o mpqc -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/pre/test.xyz --output store.in], 0, [ignore], [ignore])
AT_CHECK([diff store.in ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/post/test.in], 0, [ignore], [ignore])
AT_CLEANUP