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Add explicit NonTransformation support throughout codebase #110

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dotsdl opened this issue Mar 31, 2023 · 0 comments · Fixed by #270
Closed

Add explicit NonTransformation support throughout codebase #110

dotsdl opened this issue Mar 31, 2023 · 0 comments · Fixed by #270

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@dotsdl
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dotsdl commented Mar 31, 2023

We currently operate on Transformations throughout alchemiscale, but AlchemicalNetworks may also feature NonTransformations, which are self-loops on a node (the same node is on both ends of the edge). The way the state store and other components are written, currently NonTransformations are not fully supported. It may be possible to submit AlchemicalNetworks featuring NonTransformations, but creating Tasks on them will likely not work.

We should add in explicit support for NonTransformations in every component applicable, especially the state store.

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