Fix breaking tests from gufe updates

[atravitz]

gufe PRS OpenFreeEnergy/gufe#468 and OpenFreeEnergy/gufe#467 cause tests to break on the openfe side.

@jthorton - could you confirm that this change to the tyk2 output is what you expect?

possible breaking gufe commits:

• switch user-set partial charges warning to log.info gufe#468 (17fb08)
• Sort ligand network edges by SMC inchikey gufe#467 (2fe774)
• Enforce protocol settings at instantiation gufe#461 (3c6d5)
• Update partial charge check gufe#478 (f1779a)

Developers certificate of origin

• I certify that this contribution is covered by the MIT License here and the Developer Certificate of Origin at https://developercertificate.org/.

[jthorton]

@atravitz thanks for taking this, and yes I expect different edges for the tyk2 network now, let hope this is the last time we have to fix this for a while!

[github-actions]

No API break detected ✅

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 91.89%. Comparing base (c72085a) to head (1463b38).
Report is 98 commits behind head on main.

Additional details and impacted files

@@            Coverage Diff             @@
##             main    #1107      +/-   ##
==========================================
- Coverage   93.52%   91.89%   -1.64%     
==========================================
  Files         142      142              
  Lines       10628    10636       +8     
==========================================
- Hits         9940     9774     -166     
- Misses        688      862     +174     

Flag	Coverage Δ
fast-tests	91.89% <100.00%> (?)
slow-tests	?

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[jthorton]

LGTM!