feat: run pdb2pqr in python (no CLI) #410
Merged
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Closes #405
Usage:
Changes:
run_pdb2pqr
intests/common.py
function for tests. To make the naming consistent and not confusing, I changed it torun_pdb2pqr_for_tests
just like another function in the module calledrun_propka_for_tests
.main_driver()
doesn't includeio.setup_logger()
call anymore. It's moved tomain()
instead for maximum flexibility.