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Add Compound proteinIdType and entity-agnostic grounding for metabolite networks#105

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Add Compound proteinIdType and entity-agnostic grounding for metabolite networks#105
swaraj-neu wants to merge 1 commit into
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MSstatsBioNet/work/20260528_compound-id-type

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Add Compound proteinIdType and entity-agnostic grounding columns:
Generalize the protein-only HgncId/HgncName contract into EntityNamespace/EntityId/EntityName grounded through Gilda, keeping multi-grounding as semicolon-joined aligned lists that fan out into the INDRA query. Gene-only annotations are skipped for compounds, and the new contract flows through annotateProteinInfoFromIndra, getSubnetworkFromIndra, and cytoscapeNetwork.

Motivation and Context

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Changes

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Testing

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Checklist Before Requesting a Review

  • I have read the MSstats contributing guidelines
  • My changes generate no new warnings
  • Any dependent changes have been merged and published in downstream modules
  • Ran styler::style_pkg(transformers = styler::tidyverse_style(indent_by = 4))
  • Ran devtools::document()

Generalize the protein-only HgncId/HgncName contract into EntityNamespace/EntityId/EntityName grounded through Gilda, keeping multi-grounding as semicolon-joined aligned lists that fan out into the INDRA query. Gene-only annotations are skipped for compounds, and the new contract flows through annotateProteinInfoFromIndra, getSubnetworkFromIndra, and cytoscapeNetwork.
@swaraj-neu swaraj-neu requested a review from tonywu1999 June 10, 2026 04:56
@swaraj-neu swaraj-neu self-assigned this Jun 10, 2026
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ℹ️ Review info
⚙️ Run configuration

Configuration used: Organization UI

Review profile: CHILL

Plan: Pro

Run ID: fbdf590d-d363-4556-8c30-1a03c1ac0a8c

📥 Commits

Reviewing files that changed from the base of the PR and between d1e6219 and 24fff4a.

⛔ Files ignored due to path filters (2)
  • inst/extdata/groupComparisonModel.csv is excluded by !**/*.csv
  • inst/extdata/groupComparisonModel_compound.csv is excluded by !**/*.csv
📒 Files selected for processing (30)
  • R/annotateProteinInfoFromIndra.R
  • R/cytoscapeNetwork.R
  • R/getSubnetworkFromIndra.R
  • R/utils_annotateProteinInfoFromIndra.R
  • R/utils_cytoscapeNetwork.R
  • R/utils_getSubnetworkFromIndra.R
  • man/annotateProteinInfoFromIndra.Rd
  • man/cytoscapeNetwork.Rd
  • man/dot-populateEntityIdsInDataFrame.Rd
  • man/dot-populateEntityNamesInDataFrame.Rd
  • man/dot-populateHgncIdsInDataFrame.Rd
  • man/dot-populateHgncNamesInDataFrame.Rd
  • man/dot-populateKinaseInfoInDataFrame.Rd
  • man/dot-populatePhophataseInfoInDataFrame.Rd
  • man/dot-populateTranscriptionFactorInfoInDataFrame.Rd
  • man/dot-populateUniprotIdsInDataFrame.Rd
  • man/dot-validateAnnotateProteinInfoFromIndraInput.Rd
  • man/exportNetworkToHTML.Rd
  • man/getSubnetworkFromIndra.Rd
  • man/previewNetworkInBrowser.Rd
  • tests/testthat/test-annotateProteinInfoFromIndra.R
  • tests/testthat/test-exportNetworkToHTML.R
  • tests/testthat/test-getSubnetworkFromIndra.R
  • tests/testthat/test-multi-grounding.R
  • tests/testthat/test-utils_annotateProteinInfoFromIndra.R.R
  • tests/testthat/test-utils_cytoscapeNetwork.R
  • tests/testthat/test-utils_getSubnetworkFromIndra.R
  • vignettes/Cytoscape-Visualization.Rmd
  • vignettes/MSstatsBioNet.Rmd
  • vignettes/PTM-Analysis.Rmd
✨ Finishing Touches
🧪 Generate unit tests (beta)
  • Create PR with unit tests
  • Commit unit tests in branch MSstatsBioNet/work/20260528_compound-id-type

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Codecov Report

❌ Patch coverage is 92.40506% with 12 lines in your changes missing coverage. Please review.
✅ Project coverage is 77.13%. Comparing base (d1e6219) to head (24fff4a).

Files with missing lines Patch % Lines
R/utils_getSubnetworkFromIndra.R 85.71% 9 Missing ⚠️
R/utils_annotateProteinInfoFromIndra.R 90.00% 3 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##            devel     #105      +/-   ##
==========================================
+ Coverage   75.35%   77.13%   +1.77%     
==========================================
  Files           9        9              
  Lines        1047     1124      +77     
==========================================
+ Hits          789      867      +78     
+ Misses        258      257       -1     

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