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Get CI working, increase test coverage (numba jit) #21

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merged 7 commits into from
Nov 9, 2021

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geoffwoollard
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Pick up where this PR left off #19

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Test failing with reading .cif in ioSPI.iotools.atomic_models.read_gemmi_model, so remove test for now. But this is a real bug I think and should be fixed. #22 . @fredericpoitevin can you have a look?

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codecov bot commented Nov 9, 2021

Codecov Report

❗ No coverage uploaded for pull request base (master@095e303). Click here to learn what that means.
The diff coverage is n/a.

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@@            Coverage Diff            @@
##             master      #21   +/-   ##
=========================================
  Coverage          ?   92.11%           
=========================================
  Files             ?        4           
  Lines             ?      190           
  Branches          ?        0           
=========================================
  Hits              ?      175           
  Misses            ?       15           
  Partials          ?        0           

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write_gemmi_model(path_output, model)
model = read_gemmi_model(path_output)
assert model.__class__ is gemmi.Model
# path_input = "2dhb.cif"
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Usually we would not leave left-over comments, but I'll merge anyway so that @fredericpoitevin can have a look.

Thanks!

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Yes officer Nina ;)

Hopefully Fred can quickly fix this with his gemmi skills and the comments will be gone in no time.

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Great, thanks!

@ninamiolane ninamiolane merged commit 8b47f4a into compSPI:master Nov 9, 2021
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2 participants