Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Relocate PCD .cif files that have no atomic site/label while preprocessing each .cif file #75

Merged
merged 4 commits into from
Jan 24, 2025

Conversation

bobleesj
Copy link
Owner

@bobleesj bobleesj commented Jan 24, 2025

  • feat: run preprocess step while moving files based on errors to move cif files without site/label
  • feat: Relocate PCD .cif files that have no atomic site/label while preprocesing each .cif file
  • relocate PCD files when no labels/sites are found

Closes #74

@bobleesj bobleesj merged commit 1c11a56 into main Jan 24, 2025
4 checks passed
@bobleesj bobleesj deleted the format-unpack branch January 24, 2025 15:36
Copy link

codecov bot commented Jan 24, 2025

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 97.29%. Comparing base (e5fd787) to head (fb0a4d9).
Report is 5 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main      #75   +/-   ##
=======================================
  Coverage   97.29%   97.29%           
=======================================
  Files          36       36           
  Lines        1406     1406           
=======================================
  Hits         1368     1368           
  Misses         38       38           
Files with missing lines Coverage Δ
tests/core/models/test_cif.py 89.61% <100.00%> (ø)

@bobleesj bobleesj restored the format-unpack branch January 24, 2025 15:37
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

Error while determining minimum distances
1 participant