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Added .read_cif() function and test file test_cif.py #217

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merged 7 commits into from
Sep 3, 2023

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LuisA92
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@LuisA92 LuisA92 commented Jul 3, 2023

The function .read_cif() currently works for single-dataset .cif files with merged structure factors.

@kmdalton kmdalton requested a review from JBGreisman July 3, 2023 16:14
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This all looks reasonable, but the tests need to be updated to pass before we can merge this in.

tests/io/test_cif.py Outdated Show resolved Hide resolved
@JBGreisman JBGreisman added the API Interface Decisions label Jul 11, 2023
Updated description of read_cif
added `assert dataset.merged` to `test_read_merged`
LuisA92 and others added 4 commits September 2, 2023 16:01
Condensed to 10K reflections
Updated to reflect gemmi version 0.6.2
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codecov-commenter commented Sep 2, 2023

Codecov Report

Merging #217 (01542d2) into main (c4be407) will decrease coverage by 6.00%.
Report is 21 commits behind head on main.
The diff coverage is 100.00%.

@@            Coverage Diff             @@
##             main     #217      +/-   ##
==========================================
- Coverage   98.39%   92.39%   -6.00%     
==========================================
  Files          45       37       -8     
  Lines        1803     2434     +631     
==========================================
+ Hits         1774     2249     +475     
- Misses         29      185     +156     
Flag Coverage Δ
unittests 92.39% <100.00%> (-6.00%) ⬇️

Flags with carried forward coverage won't be shown. Click here to find out more.

Files Changed Coverage Δ
reciprocalspaceship/__init__.py 100.00% <ø> (ø)
reciprocalspaceship/io/__init__.py 100.00% <100.00%> (ø)
reciprocalspaceship/io/mtz.py 100.00% <100.00%> (ø)

... and 18 files with indirect coverage changes

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Looks good to me -- thanks!

@JBGreisman JBGreisman merged commit 01bb36b into rs-station:main Sep 3, 2023
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3 participants