-
Notifications
You must be signed in to change notification settings - Fork 696
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
Preserve Full Trajectory Information in AnalysisBase #4892
base: develop
Are you sure you want to change the base?
Conversation
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## develop #4892 +/- ##
===========================================
- Coverage 93.42% 93.41% -0.01%
===========================================
Files 177 189 +12
Lines 21859 22955 +1096
Branches 3078 3079 +1
===========================================
+ Hits 20422 21444 +1022
- Misses 986 1060 +74
Partials 451 451 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
|
Hello @yuxuanzhuang! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found: There are currently no PEP 8 issues detected in this Pull Request. Cheers! 🍻 Comment last updated at 2025-01-14 18:49:12 UTC |
I’m not certain that |
I will work on the documentation if the current implementation seems more logical to you :) |
Fixes #4891
Changes made in this Pull Request:
Addself._run_slicer
to retrieve global details such as the total number of frames.Addself._run_frame_index
for_single_frame
to track the frame index for each frame for the full sliced trajectory that is being analyzedRunConfig
to preserve information of run parametersRunState
to track information for the whole trajectory slice that is being analyzed.PR Checklist
Developers certificate of origin
📚 Documentation preview 📚: https://mdanalysis--4892.org.readthedocs.build/en/4892/