### MPQC basis

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

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

AT_CLEANUP


AT_SETUP([Parser - MPQC - set theory with Undo])
AT_KEYWORDS([options mpqc set-mpqc-parameters theory undo])

AT_CHECK([../../molecuilder -i test.in -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/SetParameters/Mpqc/pre/test.xyz -v 1 --set-parser-parameters "mpqc" --parser-parameters "theory=CLKS" --undo], 0, [stdout], [ignore])
AT_CHECK([fgrep "reference<CLHF>" test.in], 0, [ignore], [ignore])
AT_CHECK([fgrep "mole<MBPT2>" test.in], 0, [ignore], [ignore])

AT_CLEANUP


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

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

AT_CLEANUP