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flat protein/molecule list for a Skyline document#1208

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ankurjuneja wants to merge 24 commits into
release26.3-SNAPSHOTfrom
26.3_fb_Item1045
Open

flat protein/molecule list for a Skyline document#1208
ankurjuneja wants to merge 24 commits into
release26.3-SNAPSHOTfrom
26.3_fb_Item1045

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@ankurjuneja
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@ankurjuneja ankurjuneja commented May 12, 2026

Rationale

https://github.com/LabKey/internal-issues/issues/1045

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Changes

  • Add ProteinCount, redefine PeptideGroupCount (peptide-bearing groups only), and add MoleculeGroupCount to targetedms.Runs; populate during import and via upgrade script targetedms-26.006-26.007.sql
  • Fix ProteinCount import: the parser's count missed single-protein groups (the common case); replaced with _importedProteinCount in SkylineDocImporter.insertProtein()
  • Split the combined peptide-group/molecule-list action into two single-grid actions: ShowPeptideGroupListAction (peptide-bearing groups) and ShowMoleculeGroupListAction (small-molecule groups)
  • Add ShowProteinListAction backed by DocumentProteinView — queries targetedms.Protein rather than PeptideGroup
  • Add ShowPeptideListAction and ShowMoleculeListAction — dedicated flat-list pages for peptides and small molecules in a run
  • Update runSummaryView.jsp to show separate conditional links for peptide groups, molecule lists, proteins, peptides, and small molecules, each navigating to its own action
  • Expose PeptideGroups, MoleculeLists, and Proteins as conditionally visible columns in the runs grid; add containerHasMoleculeGroups() and containerHasProteins() to TargetedMSManager; fix TargetedMSSchema.hasPeptides() bug (was calling containerHasSmallMolecules())
  • Update targetedms.xml column URLs and add column metadata for MoleculeGroupCount and ProteinCount
  • Extract TargetedMSSchema.createGroupTable() and add PeptideCount / MoleculeCount computed columns to the group tables; new list views filter by these to show only non-empty groups
  • Extract AnnotatedTargetedMSTable.NOTE_ANNOTATIONS_COLUMN_NAME constant; update PrecursorTableInfo and MoleculePrecursorTableInfo to use it
  • Add verifyRunDetailLinks() integration test and refactor verifyRunSummaryCounts helpers to cover peptide groups, molecule lists, and proteins separately

Comment thread src/org/labkey/targetedms/TargetedMSController.java Outdated
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@labkey-jeckels labkey-jeckels left a comment

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I made flat lists for other links too. Please review my changes before merging.

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I made flat lists for other links too. Please review my changes before merging.

I also split out proteins from peptide groups, which was a more involved change. I updated automated tests but this deserves some testing

labkey-jeckels and others added 7 commits May 17, 2026 22:29
Extracts setupFolder(), selectFolderType(), and importData() from TargetedMSTest
into a new TargetedMSHelper class so the logic can be shared without subclassing.
Adds TargetedMSUpgradeTest to verify the targetedms-26.006-26.007 migration correctly
populates PeptideGroupCount, MoleculeGroupCount, and ProteinCount on existing runs.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
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tested and looks good. Will wait for successful TC runs for merging.

labkey-jeckels and others added 3 commits May 18, 2026 13:19
…de script and run summary labels

testPreUpgradeCounts queries columns available in 25.11 (Peptides, SmallMolecules,
Replicates) and runs on both setup and verify phases. testPostUpgradeCounts is
gated with @EarliestVersion("26.3") and Assume.assumeFalse(isUpgradeSetupPhase)
so it only runs after the 26.006-26.007 migration.

Also adds missing PeptideGroupCount NOT NULL constraint to the upgrade script and
renames 'peptide group' labels to 'protein group' in verifyRunSummaryCounts.

Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
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2 participants