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Get connected subgraphs in an AlchemicalNetwork #383

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jthorton opened this issue Nov 4, 2024 · 1 comment · Fixed by #409
Closed

Get connected subgraphs in an AlchemicalNetwork #383

jthorton opened this issue Nov 4, 2024 · 1 comment · Fixed by #409
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@jthorton @atravitz
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Release 1.2

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jthorton commented Nov 4, 2024

From Irfan

This is a perfectly fine strategy. In the future we should see if we can extend the .graph method of AlchemicalNetwork objects to offer this kind of convenience. I.e. "get me all the connected subgraphs".
@jthorton jthorton mentioned this issue Nov 4, 2024
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@dotsdl dotsdl added this to the Release 1.2 milestone Nov 12, 2024
@dotsdl dotsdl moved this to Sprint - Available in gufe : advancement sprints Nov 12, 2024
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dotsdl commented Nov 12, 2024

This subgraphs method on an AlchemicalNetwork could return the subgraphs as AlchemicalNetworks themselves.

@dotsdl dotsdl assigned jthorton and atravitz and unassigned atravitz and jthorton Nov 12, 2024
@atravitz atravitz linked a pull request Nov 14, 2024 that will close this issue
383 get connected subgraphs in an alchemicalnetwork #409
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@atravitz atravitz mentioned this issue Nov 14, 2024
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@github-project-automation github-project-automation bot moved this from Sprint - Available to Done in gufe : advancement sprints Nov 19, 2024
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383 get connected subgraphs in an alchemicalnetwork OpenFreeEnergy/gufe
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