[us-commits] [ehb54/ultrascan3] faf147: somo: silence the per-atom debug dump at the end o...

[emre brookes]

  Branch: refs/heads/ehb54-issue-984
  Home:   https://github.com/ehb54/ultrascan3
  Commit: faf147fa301e7485b3f1f68bb4c54fceee7f4c70
      https://github.com/ehb54/ultrascan3/commit/faf147fa301e7485b3f1f68bb4c54fceee7f4c70
  Author: ehb54 <brookes at uthscsa.edu>
  Date:   2026-08-07 (Fri, 07 Aug 2026)

  Changed paths:
    M us_somo/develop/src/us_hydrodyn_load.cpp

  Log Message:
  -----------
  somo: silence the per-atom debug dump at the end of calc_mw()

It printed "end of calc_mw()" and then one CSV row per atom on every PDB load
-- thousands of lines for a large structure -- which slows a debug cycle when
stdout is a terminal or an editor shell.

Commented rather than deleted: it is diagnostic, not dead, and is the thing to
re-enable when ionization or net-charge numbers look wrong. Left with a note
of the caveat that made it misleading anyway -- its pH is hardwired to 7 rather
than read from the form, so it does not describe the pH actually in use; the
already-commented call immediately above is the variant that does.

Matches the several other commented-out info_* diagnostics around it.

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



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