Remove return_gufe kwarg from AlchemiscaleClient.query_networks
#206
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ianmkenney
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return_gufe kwarg from AlchemiscaleClient.query_networksreturn_gufe kwarg from AlchemiscaleClient.query_networks
Codecov ReportAttention:
Additional details and impacted files@@ Coverage Diff @@
## main #206 +/- ##
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+ Coverage 82.25% 82.36% +0.10%
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Files 22 22
Lines 2739 2727 -12
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- Hits 2253 2246 -7
+ Misses 486 481 -5 ☔ View full report in Codecov by Sentry. |
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Looks great @ianmkenney! Just a couple notes. I may also add to this PR removal of return_gufe handling for query_networks in the user-facing API that the AlchemiscaleClient talks to (in interface/api.py) before merging.
alchemiscale/interface/client.py
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| @@ -136,7 +136,6 @@ def query_networks( | |||
| self, | |||
| name: Optional[str] = None, | |||
| scope: Optional[Scope] = None, | |||
| return_gufe=False, | |||
| ) -> Union[List[ScopedKey], Dict[ScopedKey, AlchemicalNetwork]]: | |||
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We also want to update the return type to reflect simplification here.
alchemiscale/interface/client.py
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| else: | ||
| networks.extend(self._query_resource("/networks", params=params)) | ||
| params = dict(name=name, **scope.dict()) | ||
| networks.extend(self._query_resource("/networks", params=params)) |
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I think we can just return the list returned by this method; unclear to me now why I chose to extend/update an empty list/dict here, since it will be freshly created by the underlying method anyway.
Fixes #142
This PR removes the
return_gufekwarg from theAlchemiscaleClient.query_networksmethod.As it was not a tested feature before, not tests needed to be changed.
Edit: it also doesn't appear to be mentioned in the current docs.