FutureWarning in template_extractor.py

[acquaregia]

Dear Connor, I receive a warning message whne usign the template extactor, is it anything we should work on?

thanks a lot in advance, kind regards. marco

D:\development\PycharmProjects\crac\rdchiral\templates\template_extractor.py:491: FutureWarning: Possible nested set at position 4 atom_tags_in_reactant_fragments = re.findall('\:([[0-9]+)]', reactant_fragments)

[connorcoley]

Thanks for the heads up. It looks like I accidentally put in an extra open square bracket in that expression. It's being parsed in a slightly different way than intended but doesn't have an effect on the functionality in this context. The regular expression should be changed to what appears elsewhere in the file:

all_labels = re.findall('\:([0-9]+)\]', transform)

which explicitly escapes the close square bracket as the final character.

P.S. As-is, it that expression is parsed as [ [0-9 ]+ so that an open square bracket could be matched in the captured group. The final close square bracket is still parsed as a literal character as expected, but this behavior must be changing in new versions of Python's regex handler

[acquaregia]

Thanks Connor, for the replay and the explanation, I'll get any new version you will publish. Great work, by the way. Cheers, marco

Il giorno ven 6 dic 2019 alle ore 19:35 Connor Coley < notifications@github.com> ha scritto:

Thanks for the heads up. It looks like I accidentally put in an extra open square bracket in that expression. It's being parsed in a slightly different way than intended but doesn't have an effect on the functionality in this context. The regular expression should be changed to what appears elsewhere in the file:

all_labels = re.findall('\:([0-9]+)]', transform)

which explicitly escapes the close square bracket as the final character.

P.S. As-is, it that expression is parsed as [ [0-9 ]+ so that an open square bracket could be matched in the captured group. The final close square bracket is still parsed as a literal character as expected, but this behavior must be changing in new versions of Python's regex handler

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