383 get connected subgraphs in an alchemicalnetwork

[atravitz]

addresses #383

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 98.65%. Comparing base (d15ea96) to head (ba85863).
Report is 10 commits behind head on main.

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #409   +/-   ##
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  Coverage   98.65%   98.65%           
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  Files          36       36           
  Lines        2075     2087   +12     
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+ Hits         2047     2059   +12     
  Misses         28       28           

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[atravitz]

I'm not convinced that connected_subgraphs is the clearest language here. Most technically accurate would be connected_components, but given that components has a different meaning in openfe-world than in network theory world, I don't like that either.

Maybe subgraphs really is the best option?

[IAlibay]

Couple of small things, otherwise lgtm.

[IAlibay]

could you add a brief test that checks that this works for fully connected graph? i.e. it just returns itself

[atravitz]

yes good idea. I rearranged the fixtures a bit so we can access either one or both of the ligand and complex star networks for the benzene test case. I think this is the clearest way to do this without duplicating too much code.