### MPQC basis

AT_SETUP([Parser - MPQC - set theory])
AT_KEYWORDS([options])

AT_CHECK([../../molecuilder -i test.conf -o mpqc -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc-SetParameters/pre/test.xyz -v 1 --set-mpqc-parameters "theory=CLKS"], 0, [stdout], [ignore])
AT_CHECK([fgrep "<CLKS>" test.in], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Parser - MPQC - set theory with Undo])
AT_XFAIL_IF([/bin/true])
AT_KEYWORDS([options])

AT_CHECK([../../molecuilder -i test.conf -o mpqc -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc-SetParameters/pre/test.xyz -v 1 --set-mpqc-parameters "theory=CLKS" --undo], 0, [stdout], [ignore])
AT_CHECK([fgrep "<CLKS>" test.in], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Parser - MPQC - set theory with Redo])
AT_KEYWORDS([options])

AT_CHECK([../../molecuilder -i test.conf -o mpqc -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc-SetParameters/pre/test.xyz -v 1 --set-mpqc-parameters "theory=CLKS" --undo --redo], 0, [stdout], [ignore])
AT_CHECK([fgrep "<CLKS>" test.in], 0, [ignore], [ignore])

AT_CLEANUP