MDAnalysis / GridDataFormats

GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.
https://mdanalysis.org/GridDataFormats
GNU Lesser General Public License v3.0
29 stars 18 forks source link

removed CCP4 module #110

Closed orbeckst closed 2 years ago

orbeckst commented 2 years ago
codecov[bot] commented 2 years ago

Codecov Report

Merging #110 (cc78b52) into master (6fcf00e) will decrease coverage by 0.51%. The diff coverage is 100.00%.

@@            Coverage Diff             @@
##           master     #110      +/-   ##
==========================================
- Coverage   88.08%   87.56%   -0.52%     
==========================================
  Files           6        5       -1     
  Lines         856      748     -108     
  Branches      146      133      -13     
==========================================
- Hits          754      655      -99     
+ Misses         60       56       -4     
+ Partials       42       37       -5     
Impacted Files Coverage Δ
gridData/OpenDX.py 82.27% <ø> (-0.93%) :arrow_down:
gridData/gOpenMol.py 86.11% <ø> (-0.38%) :arrow_down:
gridData/mrc.py 96.77% <ø> (-0.20%) :arrow_down:
gridData/__init__.py 100.00% <100.00%> (ø)
gridData/core.py 94.18% <100.00%> (-0.22%) :arrow_down:

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IAlibay commented 2 years ago

Ah didn't see you had requested a review for this too, I'll get to it tomorrow UK time

orbeckst commented 2 years ago

I don't think that a mrcfile release with the fixed https://github.com/ccpem/mrcfile/issues/35 is already out (the last one is 1.3.0 from Feb 2021 on https://pypi.org/project/mrcfile/) so we should not require a minimum version number (even though I think technically that would be the correct thing to do in order to claim having fixed #50 ).

orbeckst commented 2 years ago

@IAlibay @richardjgowers I am looking for a rubberstamp here ;-)

IAlibay commented 2 years ago

Thanks for the reminder, I'll get on it during lunch, I have a partial review which apparently I never submitted 😅

orbeckst commented 2 years ago

Thanks Irfan!