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[ESSDIFFRACTION] Implement more PDF functions#617

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[ESSDIFFRACTION] Implement more PDF functions#617
jl-wynen wants to merge 4 commits into
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more-pdf-functions

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@jl-wynen jl-wynen commented Jun 1, 2026

Fixes #468

Draft because error propagation is missing. But can you take a look anyway because I am unsure about the approach of requiring the user to call a chain of these functions instead of, e.g., always computing the final result from S(r).

I moved the existing implementation to ess.diffraction because it is not directly related to powder.

Does this need more tests? The functions are quite simple and tricky to test.

@jl-wynen jl-wynen requested a review from jokasimr June 1, 2026 18:57
@jl-wynen jl-wynen added the essdiffraction Issues for essdiffraction. label Jun 1, 2026
@jl-wynen jl-wynen marked this pull request as draft June 1, 2026 18:58
@github-actions github-actions Bot changed the title Implement more PDF functions [ESSDIFFRACTION] Implement more PDF functions Jun 1, 2026
This only showed up now because the `peaks` module was not included in the docs.
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[Requirement] PDF : support other expression of output functions

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