Post #452008
2026-02-19 14:27 UTC
Ahh, the joy of writing the documentation which summarizes all of the new features, then realizing that I forgot to implement two functions. Added functions. Added tests.
Then to update the documentation for a command-line "--help" and learn that "--help" doesn't work. Turns out I forgot to define a metavar that click needs. Added tests.
Now to figure out why the SEC fingerprints changed in the latest RDKit version.
Happy, happy, joy, joy.
Replies (1)
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@dalke@toots.nu 2026-02-20 07:24
Now my test suite says there's a file handle I forgot to close. It generates a warning to stderr. Some of my tests check stderr to ensure it's empty. I've been staring at the code, and as far as I can tell it's in a context manager which should always close it. Annoying. And the relevant code hasn't changed in months, which means it's a garbage collection timing thing where new tests changed when gc is run. I don't think I'm being happy enough. ;)