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Reformulate to new Gufe Structure #69

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RiesBen opened this issue Aug 28, 2024 · 1 comment
Open

Reformulate to new Gufe Structure #69

RiesBen opened this issue Aug 28, 2024 · 1 comment
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Konnektor refactor Good Infrastrucutre / Refactoring

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@RiesBen
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RiesBen commented Aug 28, 2024

check base classes and refactor them to new gufe!
General idea is, that current type annotations in Konnektor, are suboptimal. The type annotations are limiting Konnektor to RBFE-Calculations, but the implementations could in theory be used much more general! This should be indicated by using more general type anotations, as proposed currently in gufe.

This is the konnektor side issue, which is the consequence of OpenFreeEnergy/gufe#346.

@RiesBen RiesBen added refactor Good Infrastrucutre / Refactoring Konnektor labels Sep 11, 2024
@atravitz
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atravitz commented Oct 25, 2024

@RiesBen let's discuss what this entails in our meeting on Monday. Also, any details you provide here beforehand would be great!

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Labels
Konnektor refactor Good Infrastrucutre / Refactoring
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