sybila / eBCSgen

eBCSgen - BioChemical Space Language support tool.
https://ebcsgen.readthedocs.io/
MIT License
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`insert_atomic_to_complex` and `insert_struct_to_complex` do not check if the replaced agent is unspecified (i.e. atomic has `'_'` feature and structure has no atomics specified) #72

Closed xtrojak closed 9 months ago

xtrojak commented 1 year ago

If we are trying to replace atomic/structure but there is no available candidate, we should rise an exception an notify the user.

xtrojak commented 1 year ago

insert_atomic_to_struct is also not checking any corner cases.