# HG changeset patch # User tomnl # Date 1522419038 14400 # Node ID 7e633c70fdfc6f90741a15d6eb3238a0ab0bedf7 # Parent 51baec6406f526404165079169c3ffc05d58947e planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2e847122cf605951c334858455fc1d3ebdb189e9-dirty diff -r 51baec6406f5 -r 7e633c70fdfc assess_purity_msms.xml --- 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 @@ - + Assess the precursor ion purity for fragmentation spectra acquired from either a LC-MS/MS or DI-MS/MS (MSn) experiment diff -r 51baec6406f5 -r 7e633c70fdfc frag4feature.R --- 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))){ diff -r 51baec6406f5 -r 7e633c70fdfc macros.xml --- 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 @@ - bioconductor-mspurity + bioconductor-mspurity r-optparse