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xia2 / screen19

Screening program for small-molecule single-crystal X-ray diffraction data
https://pypi.org/project/screen19/
BSD 3-Clause "New" or "Revised" License
2 stars 3 forks source link

Update calls to dials integration code following refactor #31

Closed jbeilstenedmands closed 4 years ago

Anthchirp commented 4 years ago

I suspect this would break screen19 installations on release versions (DIALS 3.*, but also 2.2.*)

ndevenish commented 4 years ago

I've made an attempt at abstracting over the differences in versions, as I don't know anything about the supported DIALS versions for screen19. This now works on master (3.1) and 3.0 in manual testing - the Travis build seems broken for other reasons.

I'm not entirely sure this is error handling properly yet, though - it caught SystemExit before, but it looks like Script.run didn't explicitly call it anyway - so it might not be catching all of the errors in integration (now, and before, but potentially a different subset now). I'm not sure I'm qualified to make a decision on that here.

Anthchirp commented 4 years ago

this might fix the tests... let's see

benjaminhwilliams commented 4 years ago

That seemed to do the trick, thanks.

benjaminhwilliams commented 4 years ago

Just adding a newsfragment...