JP-4241: Add trace model to tso3

[melanieclarke]

Toward JP-4241

Follow up to #10264 to add the trace model step to the tso3 pipeline for spectral TSO processing. This will be necessary for supporting the trace model in pixel_replace for TSO spectra.

This also necessitated some clean up in the tso3 processing:

• fixes for intermediate file names to include the ASN ID for pixel_replace and ATM outputs
• add a utility to set a summary status for the intermediate step status in the compiled x1dints product

Tasks

• If you have a specific reviewer in mind, tag them.
• add a build milestone, i.e. Build 12.0 (use the latest build if not sure)
• Does this PR change user-facing code / API? (if not, label with no-changelog-entry-needed)
  • write news fragment(s) in changes/: echo "changed something" > changes/<PR#>.<changetype>.rst (see changelog readme for instructions)
    • if your change breaks step-level or public API (as defined in the docs), also add a changes/<PR#>.breaking.rst news fragment
  • update or add relevant tests
  • update relevant docstrings and / or docs/ page
  • start a regression test and include a link to the running job (click here for instructions)
    • Do truth files need to be updated ("okified")?
      • after the reviewer has approved these changes, run okify_regtests to update the truth files
• if a JIRA ticket exists, make sure it is resolved properly

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 86.59%. Comparing base (2ae9a53) to head (cbfb583).

Additional details and impacted files

@@           Coverage Diff           @@
##             main   #10596   +/-   ##
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  Coverage   86.58%   86.59%           
=======================================
  Files         374      374           
  Lines       40455    40471   +16     
=======================================
+ Hits        35029    35045   +16     
  Misses       5426     5426           

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[melanieclarke]

Regtests:
https://github.com/spacetelescope/RegressionTests/actions/runs/26969740324

Diffs for tso3 are as expected: there is a new cal_step status keyword, set to SKIPPED. Truth files are up-to-date for the new test, including the fix for intermediate file names.

There are also some unrelated diffs for MIRI WFSS in spec2, for a new background reference file. When those are okified, I'll run again.

[tapastro]

Changes look clean and clear, with one slight exception being that handling of adding the asn_id moving around a bit - presumably to handle cases where the input isn't a ModelContainer? Seems fine to merge if tests are behaving as they are.

[melanieclarke]

Changes look clean and clear, with one slight exception being that handling of adding the asn_id moving around a bit - presumably to handle cases where the input isn't a ModelContainer? Seems fine to merge if tests are behaving as they are.

Yes, that was specifically for tso3 accommodation. In that case, the steps are not run on a ModelContainer, but the ASN ID is available from the parent asn_id attribute. The add_asn_id_to_output_name handles that case, and has no effect for the stage 2 pipelines when neither parent.asn_id nor asn_table["asn_id"] are present.

[melanieclarke]

Regtests for okifying here:
https://github.com/spacetelescope/RegressionTests/actions/runs/26974084194