Skip to content

Conversation

@jthorton
Copy link
Collaborator

@jthorton jthorton commented Dec 12, 2024

Extend the CLI network tests with cofactors to explicitly check that they are included in the transformations.
Checklist

  • Added a news entry

Developers certificate of origin

@github-actions
Copy link

🚨 API breaking changes detected! 🚨

@codecov
Copy link

codecov bot commented Dec 12, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 92.74%. Comparing base (66476fd) to head (653a752).
Report is 147 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1048      +/-   ##
==========================================
- Coverage   94.46%   92.74%   -1.72%     
==========================================
  Files         135      135              
  Lines       10077    10093      +16     
==========================================
- Hits         9519     9361     -158     
- Misses        558      732     +174     
Flag Coverage Δ
fast-tests 92.74% <100.00%> (?)
slow-tests ?

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

☔ 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.

@jthorton
Copy link
Collaborator Author

Python 3.11/12 tests are failing as the name of the cofactor component is not what we expect, see here.

AssertionError: assert 'cofactor1' in {'RFEComponentLabels.COFACTOR1': SmallMoleculeComponent(name=3L9H), 'ligand': SmallMoleculeComponent(name=lig_CHEMBL1078691), 'protein': ProteinComponent(name=), 'solvent': SolventComponent(name=O, Na+, Cl-)}

@github-actions
Copy link

🚨 API breaking changes detected! 🚨

@jthorton jthorton self-assigned this Dec 12, 2024
@jthorton jthorton linked an issue Dec 12, 2024 that may be closed by this pull request
@jthorton jthorton requested review from IAlibay and atravitz December 12, 2024 16:44
@github-actions
Copy link

🚨 API breaking changes detected! 🚨

Copy link
Contributor

@atravitz atravitz left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Just one change to make the enum handling cleaner.

@jthorton jthorton requested a review from atravitz January 7, 2025 10:16
@github-actions
Copy link

github-actions bot commented Jan 7, 2025

No API break detected ✅

@atravitz atravitz merged commit a69f129 into main Jan 7, 2025
12 checks passed
@atravitz atravitz deleted the cofactor_tests branch January 7, 2025 16:07
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.

add tests for cofactor support

3 participants