Skip to content

✨ Add fractional coordinates and displacement parameter commands#6

Merged
Baharis merged 9 commits intomasterfrom
development
Jun 12, 2025
Merged

✨ Add fractional coordinates and displacement parameter commands#6
Baharis merged 9 commits intomasterfrom
development

Conversation

@Baharis
Copy link
Owner

@Baharis Baharis commented Jun 12, 2025

Add a simple functionality to write down fractional coordinates and displacement parameters from the cif file into a table. Transforming the displacement parameters currently does not correctly modify the values of displacement parameters.

@codecov
Copy link

codecov bot commented Jun 12, 2025

Codecov Report

Attention: Patch coverage is 95.12195% with 2 lines in your changes missing coverage. Please review.

Project coverage is 94.80%. Comparing base (e2c4db3) to head (e36f311).
Report is 10 commits behind head on master.

Files with missing lines Patch % Lines
picometer/atom.py 89.47% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master       #6      +/-   ##
==========================================
- Coverage   94.81%   94.80%   -0.01%     
==========================================
  Files          10       10              
  Lines         636      674      +38     
==========================================
+ Hits          603      639      +36     
- Misses         33       35       +2     

☔ 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.

@Baharis Baharis changed the title Add fractional coordinates and displacement parameter commands ✨ Add fractional coordinates and displacement parameter commands Jun 12, 2025
@Baharis Baharis merged commit 8b6d2a6 into master Jun 12, 2025
17 checks passed
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.

1 participant