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Handle fasta #266

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merged 8 commits into from
Jan 31, 2025
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@jonasscheid jonasscheid commented Jan 31, 2025

Another overhaul PR:

  • Updated and optimized EPYTOPE_GENERATE_PEPTPIDES and replaced with FASTA2PEPTIDES module. This module generates now peptide tsv files and writes one file per length depeding on min_peptide_length_classI/II-min_peptide_length_classI/II. Tested this script with Full swissport and seems to work quite nicely regarding runtime and RAM usage and file sizes are almost equal with this.
  • Optimize SPLIT_PEPTIDES module such that it takes any input file directly before MHC_BINDING_PREDICTION subworfklow
  • Introduced meta.file_id to track and properly merge multi prediciton files per splitted file in MHC_BINDING_PREDICTION
  • Introduced optional wide_format_output to transform output format to predictor_allele_bindingMetric rather then default long format
  • Cleaned up outdated code

PR checklist

  • This comment contains a description of changes (with reason).
  • If you've fixed a bug or added code that should be tested, add tests!
  • If you've added a new tool - have you followed the pipeline conventions in the contribution docs
  • If necessary, also make a PR on the nf-core/epitopeprediction branch on the nf-core/test-datasets repository.
  • Make sure your code lints (nf-core lint).
  • Ensure the test suite passes (nextflow run . -profile test,docker --outdir <OUTDIR>).
  • Check for unexpected warnings in debug mode (nextflow run . -profile debug,test,docker --outdir <OUTDIR>).
  • Usage Documentation in docs/usage.md is updated.
  • Output Documentation in docs/output.md is updated.
  • CHANGELOG.md is updated.
  • README.md is updated (including new tool citations and authors/contributors).

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Warning

Newer version of the nf-core template is available.

Your pipeline is using an old version of the nf-core template: 3.0.2.
Please update your pipeline to the latest version.

For more documentation on how to update your pipeline, please see the nf-core documentation and Synchronisation documentation.

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github-actions bot commented Jan 31, 2025

nf-core pipelines lint overall result: Failed ❌

Posted for pipeline commit 677fc65

+| ✅ 208 tests passed       |+
#| ❔   3 tests were ignored |#
!| ❗   1 tests had warnings |!
-| ❌   2 tests failed       |-

❌ Test failures:

  • nextflow_config - Config default value incorrect: params.tools is set as syfpeithi in nextflow_schema.json but is mhcflurry in nextflow.config.
  • nextflow_config - Config default value incorrect: params.peptides_split_minchunksize is set as 5000 in nextflow_schema.json but is 500 in nextflow.config.

❗ Test warnings:

❔ Tests ignored:

  • files_unchanged - File ignored due to lint config: assets/nf-core-epitopeprediction_logo_light.png
  • files_unchanged - File ignored due to lint config: docs/images/nf-core-epitopeprediction_logo_light.png
  • files_unchanged - File ignored due to lint config: docs/images/nf-core-epitopeprediction_logo_dark.png

✅ Tests passed:

Run details

  • nf-core/tools version 3.0.2
  • Run at 2025-01-31 12:59:39

@jonasscheid jonasscheid merged commit 048e86d into nf-core:mhc-binding-subworkflow Jan 31, 2025
2 of 18 checks passed
@jonasscheid jonasscheid deleted the handle-fasta branch January 31, 2025 14:27
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