I have been exploring how to get line data out of PyExoCross, and I may have found a slight bug. The broadening parameters seem to only be matched w.r.t the J" quantum number, not any of the other quantum numbers defined in the QN-set of each "*.broad" file. I came across this while trying to read a line list out in HITRAN format, but get broadening parameters for not just "self" and "air".
Details
Looking in the file ".../PyExoCross/src/pyexocross/database/load_exomol.py", the two functions read_broad(...) and extract_broad(...) seem to be the only places where data from the "*.broad" files are handled, but the dataframes produced by read_broad(...) only have a "Jpp" column and no other quantum numbers. And extract_broad(...) only operates on the "Jpp" quantum number column instead of matching all the QNs in a set.
I have been exploring how to get line data out of PyExoCross, and I may have found a slight bug. The broadening parameters seem to only be matched w.r.t the J" quantum number, not any of the other quantum numbers defined in the QN-set of each "*.broad" file. I came across this while trying to read a line list out in HITRAN format, but get broadening parameters for not just "self" and "air".
Details
Looking in the file ".../PyExoCross/src/pyexocross/database/load_exomol.py", the two functions
read_broad(...)andextract_broad(...)seem to be the only places where data from the "*.broad" files are handled, but the dataframes produced byread_broad(...)only have a "Jpp" column and no other quantum numbers. Andextract_broad(...)only operates on the "Jpp" quantum number column instead of matching all the QNs in a set.