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Add DeNovoGUI compatibility APIs to Utilities#74

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BioGeek:DeNovoGUI-support
Open

Add DeNovoGUI compatibility APIs to Utilities#74
BioGeek wants to merge 12 commits into
CompOmics:masterfrom
BioGeek:DeNovoGUI-support

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@BioGeek

@BioGeek BioGeek commented Jun 22, 2026

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Purpose

This PR adds a narrow compatibility layer needed by the DeNovoGUI InstaNovo port after moving DeNovoGUI onto the newer Utilities line.

DeNovoGUI still uses several older Utilities API shapes, especially string-based spectrum keys and legacy PSM iteration helpers. This PR restores those compatibility entry points on top of the current Utilities implementation instead of copying local Utilities classes into DeNovoGUI.

Changes

  • Adds legacy spectrum-key helpers:
    • Spectrum.getSpectrumKey
    • Spectrum.getSpectrumFile
    • Spectrum.getSpectrumTitle
  • Adds PsmIterator as a small facade over the current spectrum-match iterator.
  • Adds compatibility methods used by DeNovoGUI result tables, QC plots, and text exports.
  • Adds older convenience accessors for peptides, modifications, precursors, annotation settings, search settings, and tool parameters.
  • Keeps the implementation as wrappers around current Utilities APIs where possible.

Tests

Ran:

mvn -DskipTests -Dmaven.javadoc.skip=true package

The main downstream verification is compiling and smoke-testing the DeNovoGUI branch against this Utilities branch.

Merge Order

  1. Add InstaNovo and InstaNovo+ import support #73
  2. Add SearchGUI support for InstaNovo and InstaNovo+ searchgui#387
  3. Add PeptideShaker import UI support for InstaNovo result files peptide-shaker#570
  4. This PR
  5. Add InstaNovo support to DeNovoGUI denovogui#53
  6. Update SearchGUI recipe to 4.3.17 bioconda/bioconda-recipes#66604
  7. Update PeptideShaker recipe to 3.0.13 bioconda/bioconda-recipes#66603
  8. Expose InstaNovo workflows in online input form barsnes-group/peptide-shaker-online#30
  9. Bump PeptideShaker wrappers for InstaNovo support galaxyproteomics/tools-galaxyp#828

BioGeek added 11 commits June 22, 2026 12:42
On recent JDKs the Nimbus look and feel can throw a benign ClassCastException (ColorUIResource cannot be cast to Boolean in NimbusStyle.isOpaque) while building chart popup menus. The exception is still logged but no longer shown to the user, as it does not affect functionality.
ThermoRawFileParser writes mzML files with the canonical .mzML extension. Declaring the format ending as .mzML lets consumers find the converted file on case-sensitive file systems.
log4j-core was bumped to 2.25.4 while log4j-api stayed at 2.23.1, causing a NoSuchFieldError at runtime. Bump log4j-api to 2.25.4 to match.
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