-
Notifications
You must be signed in to change notification settings - Fork 12
Open
Description
- find a case for test_rxn_input_extractor and handle_rxn_obj that contains ice
- Check that solvents csv is well formed
- Test all 4 options for handling unresolvable names (TFF, FTF, FFT, FFF): set_unresolved_names_to_none_if_mapped_rxn_str_exists_else_del_rxn, remove_rxn_with_unresolved_names, set_unresolved_names_to_none
- is_mapped function in cleaning
- Check that there are no solvents outside solvents label, unless it has a mapped atom (and is thus a reactant).
Reactions are currently unavailable
Metadata
Metadata
Assignees
Labels
No labels