Skip to content

Add initial support for anisotropic ADPs #152

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.

Sign up for GitHub

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

Merged
AndrewSazonov merged 14 commits into from
Apr 13, 2026

Add CIF loop tag consistency validation in serializer

0b0a59f
Select commit
Loading
Failed to load commit list.
Merged

Add initial support for anisotropic ADPs #152

Add CIF loop tag consistency validation in serializer
0b0a59f
Select commit
Loading
Failed to load commit list.
Codecov / codecov/project succeeded Apr 13, 2026 in 1s

88.83% (-0.34%) compared to 007004a

View this Pull Request on Codecov

88.83% (-0.34%) compared to 007004a

Details

Codecov Report

❌ Patch coverage is 87.34622% with 72 lines in your changes missing coverage. Please review.
✅ Project coverage is 88.83%. Comparing base (007004a) to head (0b0a59f).
⚠️ Report is 2 commits behind head on develop.

Files with missing lines Patch % Lines
src/easydiffraction/analysis/calculators/cryspy.py 78.68% 21 Missing and 5 partials ⚠️
...ablocks/structure/categories/atom_sites/default.py 85.90% 11 Missing and 10 partials ⚠️
...easydiffraction/crystallography/crystallography.py 83.67% 9 Missing and 7 partials ⚠️
...ks/structure/categories/atom_site_aniso/default.py 95.87% 2 Missing and 2 partials ⚠️
...atablocks/structure/categories/atom_sites/enums.py 84.61% 2 Missing ⚠️
src/easydiffraction/io/cif/serialize.py 94.87% 1 Missing and 1 partial ⚠️
.../easydiffraction/datablocks/structure/item/base.py 96.96% 1 Missing ⚠️
Additional details and impacted files 
@@             Coverage Diff             @@
##           develop     #152      +/-   ##
===========================================
- Coverage    89.17%   88.83%   -0.34%     
===========================================
  Files          134      145      +11     
  Lines         7716     8396     +680     
  Branches       725      853     +128     
===========================================
+ Hits          6881     7459     +578     
- Misses         605      668      +63     
- Partials       230      269      +39

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.
View more details on Codecov