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bump onsite version#44

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daichengxin merged 5 commits into
bigbio:mainfrom
daichengxin:main
Jun 22, 2026
Merged

bump onsite version#44
daichengxin merged 5 commits into
bigbio:mainfrom
daichengxin:main

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@daichengxin

@daichengxin daichengxin commented Jun 22, 2026

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Pull Request

Description

Checklist

  • Module follows nf-core standards
  • main.nf includes process definition
  • meta.yml includes complete documentation
  • environment.yml specifies dependencies
  • Tests are included
  • Code is formatted (prettier)
  • CI checks pass

Module Type

  • New module
  • Module update
  • Bug fix
  • Documentation

Related Issues

Closes #

Summary by CodeRabbit

  • New Features

    • ONSITE module now supports additional output file formats: idXML and mzIdentML alongside idparquet.
  • Updates

    • Updated ONSITE container image to version 0.0.5 with enhanced algorithm-specific output handling.
  • Tests

    • Added comprehensive test coverage for new input/output format combinations across all algorithm variants.

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@codacy-production

codacy-production Bot commented Jun 22, 2026

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Up to standards ✅

🟢 Issues 0 issues

Results:
0 new issues

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ℹ️ Review info
⚙️ Run configuration

Configuration used: defaults

Review profile: CHILL

Plan: Pro

Run ID: 314b5170-4789-4075-ab84-9dabee3eb146

📥 Commits

Reviewing files that changed from the base of the PR and between d62aeb8 and 873ace1.

📒 Files selected for processing (2)
  • modules/bigbio/onsite/environment.yml
  • modules/bigbio/onsite/meta.yml
📝 Walkthrough

Walkthrough

The ONSITE Nextflow process container tags are bumped from 0.0.4 to 0.0.5. Output file glob is broadened from *.idparquet to *.{idparquet,idXML,mzIdentML}. A suffix variable is derived from the id_file extension and used in ascore, phosphors, and lucxor output paths. Three new tests cover idXML inputs for each algorithm, with two matching test data URLs added.

Changes

ONSITE Dynamic Output Suffix and idXML Support

Layer / File(s) Summary
Container bump, output glob expansion, and dynamic suffix logic
modules/bigbio/onsite/main.nf
Container tags updated from 0.0.4 to 0.0.5. ptm_in_id_onsite output glob broadened to *.{idparquet,idXML,mzIdentML}. Suffix variable computed from id_file extension with idparquet fallback. ascore, phosphors, and lucxor -out arguments switched from hardcoded .idparquet to ${suffix}.
idXML test cases and test data URLs
modules/bigbio/onsite/tests/main.nf.test, tests/config/test_data.config
Three new test cases added exercising ascore, phosphors, and lucxor with idxml_mzml and idxml inputs, asserting output filenames end with _ascore.idXML, _phosphors.idXML, and _lucxor.idXML. Two new test data remote URLs (idxml, idxml_mzml) registered in the shared config.

Estimated code review effort

🎯 2 (Simple) | ⏱️ ~10 minutes

Possibly related PRs

  • bigbio/nf-modules#11: Touches the same params.test_data.onsite section in tests/config/test_data.config, restructuring prior mzml/idxml onsite test-data fields.
  • bigbio/nf-modules#25: Also modifies modules/bigbio/onsite/main.nf to change how ONSITE algorithm outputs are named, moving away from hardcoded .idparquet for ascore, phosphors, and lucxor.
  • bigbio/nf-modules#40: Modifies the same ONSITE pipeline's file-type expectations and output naming around idXML vs idparquet outputs in main.nf and tests.

Suggested labels

Review effort 2/5

Suggested reviewers

  • ypriverol

Poem

🐇 Hop, hop — the suffix springs free!
No more hardcoded parquet for me.
idXML, mzIdentML too,
Three new tests to see us through.
Container's bumped, the globs expand —
A tidy module, just as planned! 🌟

🚥 Pre-merge checks | ✅ 4 | ❌ 1

❌ Failed checks (1 inconclusive)

Check name Status Explanation Resolution
Title check ❓ Inconclusive The title 'bump onsite version' only partially captures the changeset, which includes not only version updates but also significant functional changes to output file handling and algorithm-specific output naming logic. Consider a more descriptive title such as 'Update onsite to 0.0.5 and support idXML/mzIdentML outputs' that better reflects both the version bump and the expanded output format support.
✅ Passed checks (4 passed)
Check name Status Explanation
Description Check ✅ Passed Check skipped - CodeRabbit’s high-level summary is enabled.
Docstring Coverage ✅ Passed No functions found in the changed files to evaluate docstring coverage. Skipping docstring coverage check.
Linked Issues check ✅ Passed Check skipped because no linked issues were found for this pull request.
Out of Scope Changes check ✅ Passed Check skipped because no linked issues were found for this pull request.

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Actionable comments posted: 1

🧹 Nitpick comments (1)
modules/bigbio/onsite/main.nf (1)

39-44: 🧹 Nitpick | 🔵 Trivial | ⚡ Quick win

Consider refactoring nested ternary operators for readability.

The nested ternary operators work correctly but can be difficult to read and maintain. Consider refactoring to a more explicit if-else structure for better clarity.

♻️ Proposed refactor using if-else statements
-    def suffix = id_file.name.endsWith(".idparquet")
-        ? "idparquet"
-        : id_file.name.endsWith(".idXML")
-            ? "idXML"
-            : id_file.name.endsWith(".mzIdentML")
-                ? "mzIdentML" : "idparquet"
+    def suffix = "idparquet"  // default fallback
+    if (id_file.name.endsWith(".idparquet")) {
+        suffix = "idparquet"
+    } else if (id_file.name.endsWith(".idXML")) {
+        suffix = "idXML"
+    } else if (id_file.name.endsWith(".mzIdentML")) {
+        suffix = "mzIdentML"
+    }
🤖 Prompt for AI Agents
Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

In `@modules/bigbio/onsite/main.nf` around lines 39 - 44, The nested ternary
operators in the suffix variable assignment are difficult to read and maintain.
Refactor the suffix assignment to use an explicit if-else structure instead of
the nested ternaries. Check each file extension condition (idparquet, idXML,
mzIdentML) using if-else statements on the id_file.name property, maintaining
the same logic where idparquet is the default fallback when no other extensions
match. This will improve code clarity and make it easier to maintain in the
future.
🤖 Prompt for all review comments with AI agents
Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

Inline comments:
In `@modules/bigbio/onsite/main.nf`:
- Line 14: The main.nf file now emits the ptm_in_id_onsite output with an
expanded glob pattern that includes three file formats (idparquet, idXML, and
mzIdentML), but the meta.yml documentation has not been updated to reflect these
changes. Update the meta.yml file to document all three output file formats that
are now being produced by the ptm_in_id_onsite emit, ensuring the output section
accurately describes the complete set of possible output files from this channel
to maintain consistency between the code and its documentation.

---

Nitpick comments:
In `@modules/bigbio/onsite/main.nf`:
- Around line 39-44: The nested ternary operators in the suffix variable
assignment are difficult to read and maintain. Refactor the suffix assignment to
use an explicit if-else structure instead of the nested ternaries. Check each
file extension condition (idparquet, idXML, mzIdentML) using if-else statements
on the id_file.name property, maintaining the same logic where idparquet is the
default fallback when no other extensions match. This will improve code clarity
and make it easier to maintain in the future.
🪄 Autofix (Beta)

Fix all unresolved CodeRabbit comments on this PR:

  • Push a commit to this branch (recommended)
  • Create a new PR with the fixes

ℹ️ Review info
⚙️ Run configuration

Configuration used: defaults

Review profile: CHILL

Plan: Pro

Run ID: 926d9c47-016b-4257-a776-27bf04e5a662

📥 Commits

Reviewing files that changed from the base of the PR and between 74ef006 and d62aeb8.

📒 Files selected for processing (3)
  • modules/bigbio/onsite/main.nf
  • modules/bigbio/onsite/tests/main.nf.test
  • tests/config/test_data.config

Comment thread modules/bigbio/onsite/main.nf
@daichengxin daichengxin merged commit 1c93e06 into bigbio:main Jun 22, 2026
6 checks passed
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