Replace recursion with stack (fix #115) #116
Merged
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Changed
_derive_smiles_from_fragment
to use a stack rather than recursion as #115 is triggered by hitting the stack limit.Test suite passed and to verify further I compared the encodings AND decodings of every smile in the test set csv's with and without this change (there were no differences).
Closes #115.
Edit: test suite passed up to the linting errors, which do not seem to be new.