search

rs-station / reciprocalspaceship

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

Add features to the add_rfree function #164

Closed minhuanli closed 2 years ago

minhuanli commented 2 years ago
  1. Support ccp4 convention now: 0 is the test set and key is FreeR_flag
  2. Update related test codes
  3. Fix the previous bugs about updating more than the free flag column. Add some test codes to prevent such issues in the future.
minhuanli commented 2 years ago

154

codecov-commenter commented 2 years ago

Codecov Report

Merging #164 (2d279de) into main (84b41b7) will decrease coverage by 0.00%. The diff coverage is 100.00%.

@@            Coverage Diff             @@
##             main     #164      +/-   ##
==========================================
- Coverage   98.41%   98.41%   -0.01%     
==========================================
  Files          44       44              
  Lines        1708     1704       -4     
==========================================
- Hits         1681     1677       -4     
  Misses         27       27
Flag Coverage Δ
unittests 98.41% <100.00%> (-0.01%) :arrow_down:

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

Impacted Files Coverage Δ
reciprocalspaceship/utils/rfree.py 100.00% <100.00%> (ø)

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update 84b41b7...2d279de. Read the comment docs.

minhuanli commented 2 years ago

After my discussion with Kevin, looks like the resolution bin related setting could be problematic. So we decide to only assign binary values to the free flags. I will update this PR with new codes soon

minhuanli commented 2 years ago

Made the change according to Jack's comments