diff fragpipe.xml @ 6:2e667f0ec33c draft default tip

planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/fragpipe commit 3fe4cafecf2b25f602915c638b0d6993d957e1e6
author galaxyp
date Sun, 30 Mar 2025 23:01:00 +0000
parents e969a182e3cb
children
line wrap: on
line diff
--- a/fragpipe.xml	Sat Feb 01 18:12:08 2025 +0000
+++ b/fragpipe.xml	Sun Mar 30 23:01:00 2025 +0000
@@ -153,10 +153,10 @@
         <param name="inputs" value="default/test1.mzML,default/test2.mzML" ftype="mzml"/>
         <param name="database_name" value="default/test.fasta" ftype="fasta"/>
         <param name="manifest" value="default/test.manifest" ftype="tabular"/>
-        <param name="workflow_name" value="Default"/>
-        <param name="label_free_quantification_run" value="ionquant"/>
+        <param name="wf|workflow_name" value="Default"/>
         <param name="output_options" value="workflow,log,combined_outputs,concatenated_outputs"/>
         <param name="license_agreements" value="true"/>
+        <param name="wf|validation|validation_tab|psm_validation|run_psm_validation" value="percolator"/>
         <output name="concat_psm_tsv" ftype="tabular">
             <assert_contents>
                 <has_text text="Experiment&#x9;Spectrum&#x9;Spectrum File&#x9;Peptide&#x9;Modified Peptide&#x9;Extended Peptide&#x9;Prev AA&#x9;Next AA&#x9;Peptide Length&#x9;Charge&#x9;Retention&#x9;Observed Mass&#x9;Calibrated Observed Mass&#x9;Observed M/Z&#x9;Calibrated Observed M/Z&#x9;Calculated Peptide Mass&#x9;Calculated M/Z&#x9;Delta Mass&#x9;Expectation&#x9;Hyperscore&#x9;Nextscore&#x9;PeptideProphet Probability&#x9;Number of Enzymatic Termini&#x9;Number of Missed Cleavages&#x9;Protein Start&#x9;Protein End&#x9;Intensity&#x9;Assigned Modifications&#x9;Observed Modifications&#x9;Purity&#x9;Is Unique&#x9;Protein&#x9;Protein ID&#x9;Entry Name&#x9;Gene&#x9;Protein Description&#x9;Mapped Genes&#x9;Mapped Proteins"/>
@@ -203,11 +203,30 @@
         <param name="inputs" value="default/test1.mzML,default/test2.mzML" ftype="mzml"/>
         <param name="database_name" value="default/test.fasta" ftype="fasta"/>
         <param name="manifest" value="default/test.manifest" ftype="tabular"/>
-        <param name="workflow_name" value="Default"/>
-        <param name="label_free_quantification_run" value="ionquant"/>
+        <param name="wf|workflow_name" value="Nonspecific-HLA"/>
         <param name="output_options" value="workflow,log,combined_outputs,concatenated_outputs"/>
         <param name="license_agreements" value="true"/>
-        <param name="run_psm_validation" value="msbooster_percolator"/>
+        <output name="output_workflow" ftype="txt" file="nonspecific-hla/outputs/workflow.txt" compare="contains">
+            <assert_contents>
+                <has_text text="crystalc.run-crystalc=false"/>
+            </assert_contents>
+        </output>
+        <output name="concat_protein_tsv" ftype="tabular">
+            <assert_contents>
+                <has_text text="sample1"/>
+                <!-- Check for match from decoy_and_contam option -->
+                <has_text text="sp|P01375|TNFA_HUMAN"/>
+            </assert_contents>
+        </output>
+      </test>
+      <test expect_num_outputs="11">
+        <param name="inputs" value="default/test1.mzML,default/test2.mzML" ftype="mzml"/>
+        <param name="database_name" value="default/test.fasta" ftype="fasta"/>
+        <param name="manifest" value="default/test.manifest" ftype="tabular"/>
+        <param name="wf|workflow_name" value="Default"/>
+        <param name="output_options" value="workflow,log,combined_outputs,concatenated_outputs"/>
+        <param name="license_agreements" value="true"/>
+        <param name="wf|validation|validation_tab|psm_validation|run_psm_validation" value="msbooster_percolator"/>
         <output name="concat_psm_tsv" ftype="tabular">
             <assert_contents>
                 <has_text text="Experiment&#x9;Spectrum&#x9;Spectrum File&#x9;Peptide&#x9;Modified Peptide&#x9;Extended Peptide&#x9;Prev AA&#x9;Next AA&#x9;Peptide Length&#x9;Charge&#x9;Retention&#x9;Observed Mass&#x9;Calibrated Observed Mass&#x9;Observed M/Z&#x9;Calibrated Observed M/Z&#x9;Calculated Peptide Mass&#x9;Calculated M/Z&#x9;Delta Mass&#x9;SpectralSim&#x9;RTScore&#x9;Expectation&#x9;Hyperscore&#x9;Nextscore&#x9;PeptideProphet Probability&#x9;Number of Enzymatic Termini&#x9;Number of Missed Cleavages&#x9;Protein Start&#x9;Protein End&#x9;Intensity&#x9;Assigned Modifications&#x9;Observed Modifications&#x9;Purity&#x9;Is Unique&#x9;Protein&#x9;Protein ID&#x9;Entry Name&#x9;Gene&#x9;Protein Description&#x9;Mapped Genes&#x9;Mapped Proteins"/>
@@ -254,13 +273,13 @@
         <param name="inputs" value="tmt11/test1.mzML,tmt11/test2.mzML" ftype="mzml"/>
         <param name="database_name" value="tmt11/test.fasta" ftype="fasta"/>
         <param name="manifest" value="tmt11/test.manifest" ftype="tabular"/>
-        <param name="annotation" value="tmt11/test.annotation" ftype="tabular"/>
-        <param name="workflow_name" value="TMT11"/>
+        <param name="wf|annotation" value="tmt11/test.annotation" ftype="tabular"/>
+        <param name="wf|workflow_name" value="TMT11"/>
         <param name="output_options" value="workflow,log,concatenated_outputs"/>
         <param name="license_agreements" value="true"/>
         <output name="concat_psm_tsv" ftype="tabular">
             <assert_contents>
-                <has_text text="Experiment&#x9;Spectrum&#x9;Spectrum File&#x9;Peptide&#x9;Modified Peptide&#x9;Extended Peptide&#x9;Prev AA&#x9;Next AA&#x9;Peptide Length&#x9;Charge&#x9;Retention&#x9;Observed Mass&#x9;Calibrated Observed Mass&#x9;Observed M/Z&#x9;Calibrated Observed M/Z&#x9;Calculated Peptide Mass&#x9;Calculated M/Z&#x9;Delta Mass&#x9;Expectation&#x9;Hyperscore&#x9;Nextscore&#x9;PeptideProphet Probability&#x9;Number of Enzymatic Termini&#x9;Number of Missed Cleavages&#x9;Protein Start&#x9;Protein End&#x9;Intensity&#x9;Assigned Modifications&#x9;Observed Modifications&#x9;Purity&#x9;Is Unique&#x9;Protein&#x9;Protein ID&#x9;Entry Name&#x9;Gene&#x9;Protein Description&#x9;Mapped Genes&#x9;Mapped Proteins"/>
+                <has_text text="Experiment&#x9;Spectrum&#x9;Spectrum File&#x9;Peptide&#x9;Modified Peptide&#x9;Extended Peptide&#x9;Prev AA&#x9;Next AA&#x9;Peptide Length&#x9;Charge&#x9;Retention&#x9;Observed Mass&#x9;Calibrated Observed Mass&#x9;Observed M/Z&#x9;Calibrated Observed M/Z&#x9;Calculated Peptide Mass&#x9;Calculated M/Z&#x9;Delta Mass&#x9;SpectralSim&#x9;RTScore&#x9;Expectation&#x9;Hyperscore&#x9;Nextscore&#x9;PeptideProphet Probability&#x9;Number of Enzymatic Termini&#x9;Number of Missed Cleavages&#x9;Protein Start&#x9;Protein End&#x9;Intensity&#x9;Assigned Modifications&#x9;Observed Modifications&#x9;Purity&#x9;Is Unique&#x9;Protein&#x9;Protein ID&#x9;Entry Name&#x9;Gene&#x9;Protein Description&#x9;Mapped Genes&#x9;Mapped Proteins"/>
                 <has_text text="sample1"/>
             </assert_contents>
         </output>