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rs-station / reciprocalspaceship

Tools for exploring reciprocal space
https://rs-station.github.io/reciprocalspaceship/
MIT License
28 stars 11 forks source link

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

Closed LuisA92 closed 10 months ago

LuisA92 commented 1 year ago

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

codecov-commenter commented 10 months ago

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%) :arrow_down:

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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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