# HG changeset patch # User recetox # Date 1656496729 0 # Node ID d9bcc43023c53f8c30769966dcfbc06e57e33b46 # Parent f01ab6fe88570b4abe908386be726467e3873e0c planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1 diff -r f01ab6fe8857 -r d9bcc43023c5 ramclustr.xml --- a/ramclustr.xml Fri Apr 22 13:48:17 2022 +0000 +++ b/ramclustr.xml Wed Jun 29 09:58:49 2022 +0000 @@ -1,4 +1,5 @@ - + + A feature clustering algorithm for non-targeted mass spectrometric metabolomics data. macros.xml diff -r f01ab6fe8857 -r d9bcc43023c5 ramclustr_wrapper.R --- a/ramclustr_wrapper.R Fri Apr 22 13:48:17 2022 +0000 +++ b/ramclustr_wrapper.R Wed Jun 29 09:58:49 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) } }