### PSI3 basis

AT_SETUP([Parser - PSI3 - set wavefunction])
AT_KEYWORDS([options psi3 set-psi3-parameters wavefunction])

AT_CHECK([../../molecuilder -i test.psi -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/SetParameters/Psi3/pre/test.xyz -v 1 --set-parser-parameters "psi3" --parser-parameters "wfn=mp2"], 0, [stdout], [ignore])
AT_CHECK([grep "wfn.*mp2" test.psi], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Parser - PSI3 - set wavefunction with Undo])
AT_KEYWORDS([options psi3 set-psi3-parameters wavefunction undo])

AT_CHECK([../../molecuilder -i test.psi -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/SetParameters/Psi3/pre/test.xyz -v 1 --set-parser-parameters "psi3" --parser-parameters "wfn=mp2" --undo], 0, [stdout], [ignore])
AT_CHECK([grep "wfn.*scf" test.psi], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Parser - PSI3 - set wavefunction with Redo])
AT_KEYWORDS([options psi3 set-psi3-parameters theory redo])

AT_CHECK([../../molecuilder -i test.psi -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/SetParameters/Psi3/pre/test.xyz -v 1 --set-parser-parameters "psi3" --parser-parameters "wfn=mp2" --undo --redo], 0, [stdout], [ignore])
AT_CHECK([grep "wfn.*mp2" test.psi], 0, [ignore], [ignore])

AT_CLEANUP