Closed jthorton closed 3 years ago
This PR adds a simple FormalChargeFilter which can filter molecules by net formal charges. The molecules are kept or removed based on the list of allowed_charges or filtered_charges.
FormalChargeFilter
allowed_charges
filtered_charges
Merging #151 (fc3c115) into master (23b959e) will decrease coverage by 0.00%. The diff coverage is 93.33%.
0.00%
93.33%
Description
This PR adds a simple
FormalChargeFilter
which can filter molecules by net formal charges. The molecules are kept or removed based on the list ofallowed_charges
orfiltered_charges
.Status