Skip to content

Conversation

@atravitz
Copy link
Contributor

@atravitz atravitz commented May 28, 2025

ahead of the konnektor integration PR (#927), I'm going through our existing network generation tests to make sure that 1) I understand the intended behavior well and 2) the tests effectively enforce the expected behavior.

Checklist

  • Added a news entry

Developers certificate of origin

@atravitz atravitz marked this pull request as ready for review May 28, 2025 23:25
@atravitz atravitz changed the title [WIP] make network planning tests more thorough make network planning tests more thorough May 28, 2025
@atravitz
Copy link
Contributor Author

status in case anyone wants to take a look: I took a good pass through test_network_planning.py, I will take a look at other tests affected by network planning test_relative_alchemical_network_planner.py and the cli planner(s) tomorrow.

@atravitz atravitz force-pushed the stricter_network_planner_tests branch from e60d392 to 665e8d6 Compare May 29, 2025 15:13
@codecov
Copy link

codecov bot commented May 29, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 92.65%. Comparing base (9533f95) to head (8614001).
⚠️ Report is 253 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1307      +/-   ##
==========================================
- Coverage   94.66%   92.65%   -2.02%     
==========================================
  Files         143      143              
  Lines       10957    10994      +37     
==========================================
- Hits        10372    10186     -186     
- Misses        585      808     +223     
Flag Coverage Δ
fast-tests 92.65% <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.

@atravitz atravitz force-pushed the stricter_network_planner_tests branch from 027ac83 to e8f5755 Compare May 29, 2025 21:35
@atravitz atravitz requested a review from IAlibay May 29, 2025 23:12
Copy link
Member

@IAlibay IAlibay left a comment

Choose a reason for hiding this comment

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

I didn't look through test_network_planning thoroughly, but overall it seems to make sense to me.

def generate_minimal_spanning_network(
ligands: Iterable[SmallMoleculeComponent],
mappers: Union[AtomMapper, Iterable[AtomMapper]],
# TODO: scorer is currently required, but not actually necessary.
Copy link
Member

Choose a reason for hiding this comment

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

Worth raising a separate issue?

Copy link
Contributor Author

Choose a reason for hiding this comment

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

atravitz and others added 2 commits May 30, 2025 11:21
@github-actions
Copy link

No API break detected ✅

@atravitz atravitz merged commit a7d7c72 into main May 30, 2025
10 of 12 checks passed
@atravitz atravitz deleted the stricter_network_planner_tests branch May 30, 2025 18:34
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.

3 participants