[us-commits] [ehb54/ultrascan3] ede8e9: Report time and wavelength units in UV-Vis file he...

[emre brookes]

  Branch: refs/heads/ehb54-issue-991
  Home:   https://github.com/ehb54/ultrascan3
  Commit: ede8e9a28ff5ed7db03f418db4677eef0f860e60
      https://github.com/ehb54/ultrascan3/commit/ede8e9a28ff5ed7db03f418db4677eef0f860e60
  Author: ehb54 <brookes at uthscsa.edu>
  Date:   2026-08-07 (Fri, 07 Aug 2026)

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

  Log Message:
  -----------
  Report time and wavelength units in UV-Vis file headers

The UV-Vis module wrote its saved and viewed .dat headers with a
hardcoded SAXS abscissa: both save_file() and view() started from a
fixed " q units:1/A" and emitted q / I(q) column names for anything
with f_is_time false. A(t) curves at a fixed wavelength are in time
and A(lambda) curves at a fixed time are in nm, so neither was q, and
the headers contradicted the plot axes, which already labelled the
same curves Time [s] and lambda [nm].

Factor the duplicated blocks into header_units() and
header_column_names(), keyed on the same _UV-Vis_ plus f_is_time pair
update_enables() uses for its axis titles. Genuinely q-based curves in
this module (_Rt_q, _Ihasht_q, _UV_Vis_Istarq_t) keep the q header.

The same conflation of "not time" with "is q" corrupted data on load:
use_units carries the 1/nm to 1/Angstrom q conversion from the global
SAS option, and was applied to every non-time file, so reloading a
saved A(lambda) curve with that option enabled multiplied every
wavelength by 0.1. Force use_units to 1.0 for UV-Vis wavelength files,
alongside the two existing special cases, testing both the new header
token and the file name so files saved by earlier versions are covered.

Also omit zero-valued PSV, I0se and I0st on UV-Vis curves; they are set
unconditionally when A(lambda) curves are made and carry no meaning on
absorbance data.

Refs ehb54/ultrascan-tickets#991

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



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