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[ESSSANS] docs: compute reference curve instead of reading it from file - #694

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compute-polygauss
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[ESSSANS] docs: compute reference curve instead of reading it from file#694
jokasimr wants to merge 3 commits into
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compute-polygauss

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@jokasimr

@jokasimrjokasimr commented Aug 6, 2026

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Fixes#679

I saw that Judith would provide code for this, but I thought it was a bit fun to let codex have a stab at it.

Max absolute difference between curve in file and computed curve is about 1e-8, with max relative difference being about 2e-10.

@github-actionsgithub-actionsBot added the esssans Issues for esssans. label Aug 6, 2026
@github-actionsgithub-actionsBot changed the title docs: compute reference curve instead of reading it from file[ESSSANS] docs: compute reference curve instead of reading it from fileAug 6, 2026
Comment on lines +172 to +174
The model is the SasView ``poly_gauss_coil`` model with an intensity at zero
Q of 50, a radius of gyration of 60 angstrom, a polydispersity of 1.02, and
a background of 0.2.

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I think the function would be more useful if all the parameters would be values we can tune?
You can still give them the default values you list here, but it would make it useful in case we want a new intensity at Q=0, different Q range, etc..

@SimonHeybrockSimonHeybrockAug 7, 2026

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Yes, the goal of the issue was to make the computation part of a production code (not just a tutorial helper function), i.e., a graph node computing the model. I don't know if the params should all be workflow params, check with Judidth.

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[ESSSANS] Add code for computing PolyGauss instead of using a file

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@jokasimr@SimonHeybrock@nvaytet