refactor: use a more flexible interface to utilize diffpy.srfit - #31
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ycexiao wants to merge 8 commits into
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refactor: use a more flexible interface to utilize diffpy.srfit#31ycexiao wants to merge 8 commits into
diffpy.srfit#31ycexiao wants to merge 8 commits into
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ycexiao
commented
Aug 5, 2026
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| def test_refinement_session(): |
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@sbillinge Could you please review the function signatures we have now? If there aren't any issues, I'll continue working on making the tests pass.
sbillinge
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Aug 6, 2026
sbillinge
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this seems like a good start. It is a bit hard to know what else we will need until we start using it (or the agent does)
ycexiao
commented
Aug 15, 2026
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| def test_refine_sine(): | ||
| # C1: Refinement session without additional calculator or functions | ||
| session = RefinementSession() |
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@sbillinge Please see this new interaction logic with ParametricModel.
I thought it couldn't be more straightforward and simpler. But if it could, could you please add some pseudo-code here so I can implement it?
ycexiao
commented
Aug 15, 2026
| ni_model.parameters["ni_model.s"].value = 1.0 | ||
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| session = RefinementSession() | ||
| session.solve( |
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constraints have not been implemented, so value check is not added.
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What problem does this PR address?
Use a more flexible interface to utilize
diffpy.srfitWhat should the reviewer(s) do?