I think migrating to `dataclasses` could help with bookkeeping, especially in `DAT_restraint` and `fe_calc`. - https://docs.python.org/3/library/dataclasses.html - https://www.youtube.com/watch?v=T-TwcmT6Rcw
I think migrating to
dataclassescould help with bookkeeping, especially inDAT_restraintandfe_calc.