Open sobolevnrm opened 4 years ago
Excellent idea.
Some of this already works. We use run.single()
https://github.com/jensengroup/propka-3.1/blob/0cb470fbdbc9e57c4487e421b9110975d21799ce/propka/run.py#L28 with a StreamIO in propkatraj namely https://github.com/Becksteinlab/propkatraj/blob/2abd91fca33a5e980a2b8d8c6e18a2d192fda2c3/propkatraj/propkatraj.py#L73-L96
Excellent; thank you!
As @IAlibay found out and noted in #83: StringIO does not work any longer so my https://github.com/jensengroup/propka/issues/57#issuecomment-646302417 is not true anymore.
With #83 and #82 fixed, StreamIO (EDIT: for a single input PDB) should be working again (with a cleaner API, too, mainly thanks to @speleo3 's suggestions in PR #84 ).