[us-commits] [ehb54/ultrascan3] ae748b: extrap_c0: decouple absolute mode into reference-s...

[emre brookes]

  Branch: refs/heads/ehb54-issue-920
  Home:   https://github.com/ehb54/ultrascan3
  Commit: ae748bc38c7f852ed6a7a937110a66c5439dacfc
      https://github.com/ehb54/ultrascan3/commit/ae748bc38c7f852ed6a7a937110a66c5439dacfc
  Author: ehb54 <brookes at uthscsa.edu>
  Date:   2026-07-13 (Mon, 13 Jul 2026)

  Changed paths:
    M us_somo/develop/include/us_hydrodyn_saxs_iqq_extrap_c0_conc.h
    M us_somo/develop/src/us_hydrodyn_saxs_iqq_extrap_c0.cpp
    M us_somo/develop/src/us_hydrodyn_saxs_iqq_extrap_c0_conc.cpp

  Log Message:
  -----------
  extrap_c0: decouple absolute mode into reference-scale + merge checkboxes

Replace the monolithic "Absolute-scale mode" with two orthogonal output
conventions, so any concentration model (additive / reciprocal / 2nd-order
virial) can drive either. The fit is now always the normalized concentration-
model fit; the reference (max-conc) curve is used only as a post-pass:

  - "Output on reference (absolute) scale": multiply the normalized fit by
    c_ref, tag with the reference concentration (else Conc:1).
  - "Splice reference curve at high q (almerge switchover)": above the
    auto-located merge point, copy the reference curve verbatim with its
    error bars (the "SDs from maximum" behavior, intrinsic to the splice).

This removes the separate reference-path fitter (scale*I fit + its own GCV):
absolute-below-merge is exactly normalized x c_ref, so it is computed by
scaling the normalized fit. Full-grid output index tracked (out_qidx) so the
merge splice covers q the fit skipped. All four checkbox combinations x three
fit forms are now valid; in particular the reference/absolute output finally
gets the unbiased reciprocal/virial MW (previously forced additive).

Regression viewer shows the normalized fit axis (c/I for reciprocal). Curve
tagging/naming and the editor summary describe the chosen fit + conventions.

Co-Authored-By: Claude Fable 5 <noreply at anthropic.com>



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