[us-commits] [ehb54/ultrascan3] 6dd62b: extrap_c0: allow a manual q for the high-q splice ...

[emre brookes]

  Branch: refs/heads/ehb54-issue-920
  Home:   https://github.com/ehb54/ultrascan3
  Commit: 6dd62b87829b1b3e7212ac0d40698595a2b50e6f
      https://github.com/ehb54/ultrascan3/commit/6dd62b87829b1b3e7212ac0d40698595a2b50e6f
  Author: ehb54 <brookes at uthscsa.edu>
  Date:   2026-07-22 (Wed, 22 Jul 2026)

  Changed paths:
    M us_somo/develop/include/us_hydrodyn_saxs.h
    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
    M us_somo/develop/src/us_hydrodyn_saxs_iqq_extrap_c0_script.cpp

  Log Message:
  -----------
  extrap_c0: allow a manual q for the high-q splice switchover

Requested by Mattia: to test these data he needs to impose the merge/switchover q
rather than accept the automatic placement. The automatic point is the first q where
the extrapolation agrees with the reference within its errors; that can land where the
regularization has distorted the curve, and there is currently no way to move it.

Adds a manual switchover:
- concentration dialog: a "switchover q (blank = auto)" field next to the splice
  checkbox, enabled only when the splice is on;
- scripted driver: a `merge_q <value>` directive (requires merge_ref 1).

Blank / 0 / non-positive means automatic (unchanged behaviour). A positive value pins
the merge to the nearest output grid point and is reported in the log as a manual
switchover. The value flows into the existing _merge_q<q> name token, so pinned runs
already get distinct, self-describing names.

Verified: pinned 0.10 -> q 0.0999 idx 207, pinned 0.25 -> q 0.250 idx 536, auto ->
q 0.465 idx 995 (unchanged); merge_q given without merge_ref is correctly ignored. All
9 regression baselines byte-identical, so nothing changes unless a q is pinned. GUI
field compiles and links but has not been exercised in a live session.

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



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