Conversation
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It seems one of your commits failed a test (unknown KS domain subtype when generating random clusters) - could you check if it is the test that needs updating or your code? |
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I believe you added KS domain subtypes only to trans_at.py, but not to domain_types.py - that might have caused the issue. |
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Thank you so much for noticing! The test failing rn is stemming from me defining the stereospecifity of the BETA_D_OME subsubtype to actually incorporate the correct subtype of the KR to include the D-confirmation. I will change it in the asserted structure in the test. |
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Great, thank you for adding these! One last check that would be good to do is to run ~1000 random trans-AT systems (and also hybrid systems with cis-AT and NRPS) and make sure nothing breaks - when that's been done I'm happy to merge! |
Added a lot of trans AT KS subsubtypes (mostly non-elongating versions of already existing subtypes), as well as a functionality to enable water quenching in terpene cyclization