Mercurial > repos > tomnl > assess_purity_msms
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>