# HG changeset patch # User tomnl # Date 1522418536 14400 # Node ID 48967c9354c17ef11dbe38ac6f3918b6031de4c8 # Parent f5f04305ff9fb8f993914a176363f9fd86165eb0 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2e847122cf605951c334858455fc1d3ebdb189e9-dirty diff -r f5f04305ff9f -r 48967c9354c1 anticipated_purity_lcms.xml --- a/anticipated_purity_lcms.xml Tue Mar 27 12:25:01 2018 -0400 +++ b/anticipated_purity_lcms.xml Fri Mar 30 10:02:16 2018 -0400 @@ -1,4 +1,4 @@ - + Calculate the anticipated precursor ion purity from a LC-MS XCMS dataset. diff -r f5f04305ff9f -r 48967c9354c1 frag4feature.R --- a/frag4feature.R Tue Mar 27 12:25:01 2018 -0400 +++ b/frag4feature.R Fri Mar 30 10:02:16 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 f5f04305ff9f -r 48967c9354c1 macros.xml --- a/macros.xml Tue Mar 27 12:25:01 2018 -0400 +++ b/macros.xml Fri Mar 30 10:02:16 2018 -0400 @@ -2,7 +2,7 @@ - bioconductor-mspurity + bioconductor-mspurity r-optparse