changeset 4:7e633c70fdfc draft

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2e847122cf605951c334858455fc1d3ebdb189e9-dirty
author tomnl
date Fri, 30 Mar 2018 10:10:38 -0400
parents 51baec6406f5
children faba6cd56875
files assess_purity_msms.xml frag4feature.R macros.xml
diffstat 3 files changed, 5 insertions(+), 3 deletions(-) [+]
line wrap: on
line diff
--- a/assess_purity_msms.xml	Tue Mar 27 12:33:39 2018 -0400
+++ b/assess_purity_msms.xml	Fri Mar 30 10:10:38 2018 -0400
@@ -1,4 +1,4 @@
-<tool id="assess_purity_msms" name="assess_purity_msms" version="0.0.6">
+<tool id="assess_purity_msms" name="assess_purity_msms" version="0.0.7">
     <description>
         Assess the precursor ion purity for fragmentation spectra acquired from either a LC-MS/MS or DI-MS/MS (MSn) experiment
     </description>
--- a/frag4feature.R	Tue Mar 27 12:33:39 2018 -0400
+++ b/frag4feature.R	Fri Mar 30 10:10:38 2018 -0400
@@ -19,13 +19,15 @@
 
     nsave <- names(pa@fileList)
     old_filenames  <- basename(pa@fileList)
+ 
     pa@fileList <- filepaths[match(names(pa@fileList), galaxy_names)]
     names(pa@fileList) <- nsave
 
     pa@puritydf$filename <- basename(pa@fileList[match(pa@puritydf$filename, old_filenames)])
     pa@grped_df$filename <- basename(pa@fileList[match(pa@grped_df$filename, old_filenames)])
   }
-
+ print(pa@fileList)
+ print(xset@filepaths)
 
  if(!all(basename(pa@fileList)==basename(xset@filepaths))){
     if(!all(names(pa@fileList)==basename(xset@filepaths))){
--- a/macros.xml	Tue Mar 27 12:33:39 2018 -0400
+++ b/macros.xml	Fri Mar 30 10:10:38 2018 -0400
@@ -2,7 +2,7 @@
 <macros>
     <xml name="requirements">
         <requirements>
-           <requirement type="package" version="1.5.2" >bioconductor-mspurity</requirement>
+           <requirement type="package" version="1.5.4" >bioconductor-mspurity</requirement>
            <requirement type="package" version="1.4.4" >r-optparse</requirement>
             <yield />
         </requirements>