# HG changeset patch # User recetox # Date 1656496810 0 # Node ID 75dafb76641704de7bc35a130f28e56aa2dbcb65 # Parent 9a0d83c1b4b3267859225e5df3fddeb7179922bb planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1 diff -r 9a0d83c1b4b3 -r 75dafb766417 ramclustr.xml --- a/ramclustr.xml Fri Apr 22 13:48:56 2022 +0000 +++ b/ramclustr.xml Wed Jun 29 10:00:10 2022 +0000 @@ -1,4 +1,5 @@ - + + A feature clustering algorithm for non-targeted mass spectrometric metabolomics data. macros.xml diff -r 9a0d83c1b4b3 -r 75dafb766417 ramclustr_wrapper.R --- a/ramclustr_wrapper.R Fri Apr 22 13:48:56 2022 +0000 +++ b/ramclustr_wrapper.R Wed Jun 29 10:00:10 2022 +0000 @@ -7,8 +7,8 @@ write.csv(ramclustr_obj$SpecAbund, file = output_spec_abundance, row.names = TRUE) if (!is.null(msp_file)) { - exp.name <- ramclustr_obj$ExpDes[[1]][which(row.names(ramclustr_obj$ExpDes[[1]]) == "Experiment"), 1] - filename <- paste("spectra/", exp.name, ".msp", sep = "") + exp_name <- ramclustr_obj$ExpDes[[1]][which(row.names(ramclustr_obj$ExpDes[[1]]) == "Experiment"), 1] + filename <- paste("spectra/", exp_name, ".msp", sep = "") file.copy(from = filename, to = msp_file, overwrite = TRUE) } }