diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml index b9f2bc93..606a1af6 100644 --- a/.github/workflows/awsfulltest.yml +++ b/.github/workflows/awsfulltest.yml @@ -1,10 +1,14 @@ name: nf-core AWS full size tests -# This workflow is triggered on push to the master branch. +# This workflow is triggered after release after the nf-core Docker push workflow finished. # It runs the -profile 'test_full' on AWS batch on: - release: - types: [published] + workflow_run: + workflows: ["nf-core Docker push"] + branches: [master] + types: + - completed + workflow_dispatch: jobs: run-awstest: diff --git a/.github/workflows/awstest.yml b/.github/workflows/awstest.yml index c8cc071f..584a0787 100644 --- a/.github/workflows/awstest.yml +++ b/.github/workflows/awstest.yml @@ -3,9 +3,7 @@ name: nf-core AWS test # It runs the -profile 'test' on AWS batch on: - push: - branches: - - master + workflow_dispatch: jobs: run-awstest: diff --git a/CHANGELOG.md b/CHANGELOG.md index 6947c5b1..4fd20b22 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -5,11 +5,15 @@ ### `Added` - Template raise to 1.10.2 -- Added parameter scheme -- Added real size AWS test profile +- Added parameter json schema +- Added full size AWS test profile +- Included new parameters for Neutral loss and precursor ion inclusion + ### `Fixed` +- Changed trigger for AWS tests + ### `Dependencies` ### `Deprecated` diff --git a/main.nf b/main.nf index c6b5c7b9..4ba0a49e 100644 --- a/main.nf +++ b/main.nf @@ -35,6 +35,8 @@ def helpMessage() { --use_z_ions [bool] Use z ions for spectral matching in addition --use_a_ions [bool] Use a ions for spectral matching in addition --use_c_ions [bool] Use c ions for spectral matching in addition + --use_NL_ions [bool] Use NL ions for spectral matching in addition + --remove_precursor_peak [bool] Remove the precursor peak from the MS2 spectra --fdr_threshold [int] Threshold for FDR filtering --fdr_level [str] Level of FDR calculation ('peptide-level-fdrs', 'psm-level-fdrs', 'protein-level-fdrs') --digest_mass_range [int] Mass range of peptides considered for matching @@ -187,6 +189,10 @@ params.use_a_ions = false a_ions = params.use_a_ions ? '-use_A_ions true' : '' params.use_c_ions = false c_ions = params.use_c_ions ? '-use_C_ions true' : '' +params.use_NL_ions = false +NL_ions = params.use_NL_ions ? '-use_NL_ions true' : '' +params.remove_precursor_peak = false +rm_precursor = params.remove_precursor_peak ? '-remove_precursor_peak true' : '' params.skip_decoy_generation = false if (params.skip_decoy_generation) { @@ -581,7 +587,6 @@ process db_search_comet { -allowed_missed_cleavages 0 \\ -precursor_charge ${params.prec_charge} \\ -activation_method ${params.activation_method} \\ - -use_NL_ions true \\ -variable_modifications ${params.variable_mods.tokenize(',').collect { "'${it}'" }.join(" ") } \\ -fixed_modifications ${params.fixed_mods.tokenize(',').collect { "'${it}'"}.join(" ")} \\ -enzyme '${params.enzyme}' \\ @@ -589,7 +594,9 @@ process db_search_comet { $a_ions \\ $c_ions \\ $x_ions \\ - $z_ions \\ + $z_ions \\ + $NL_ions \\ + $rm_precursor \\ """ } diff --git a/nextflow.config b/nextflow.config index e59f7b6e..0feae9b5 100644 --- a/nextflow.config +++ b/nextflow.config @@ -75,6 +75,8 @@ params { use_z_ions = false use_a_ions = false use_c_ions = false + use_NL_ions = false + remove_precursor_peak = false skip_quantification = false quantification_fdr = false diff --git a/nextflow_schema.json b/nextflow_schema.json index b077d8c1..3704c4cf 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -181,6 +181,15 @@ "type": "boolean", "description": "Include c ions into the peptide spectrum matching" }, + "use_NL_ions": { + "type": "boolean", + "description": "Include NL ions into the peptide spectrum matching" + }, + "remove_precursor_peak": { + "type": "boolean", + "description": "Include precursor ions into the peptide spectrum matching", + "default": true + }, "spectrum_batch_size": { "type": "integer", "default": 500,