### parsing psi3

AT_SETUP([Parser - saving psi3 from loaded xyz file])
AT_KEYWORDS([parser output psi3 xyz])

file=test.psi
AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/test.xyz --output $file], 0, [ignore], [ignore])
AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/post/$file], 0, [ignore], [ignore])

AT_CLEANUP