Mercurial > repos > recetox > ramclustr

comparison ramclustr_wrapper.R @ 8:d9bcc43023c5 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
author recetox
date Wed, 29 Jun 2022 09:58:49 +0000
parents 10ded21d47c0
children 308bd645da47
comparison
equal deleted inserted replaced
7:f01ab6fe8857 8:d9bcc43023c5
5 msp_file) { 5 msp_file) {
6 RAMClustR::write.msp(ramclustr_obj, one.file = output_merge_msp) 6 RAMClustR::write.msp(ramclustr_obj, one.file = output_merge_msp)
7 write.csv(ramclustr_obj$SpecAbund, file = output_spec_abundance, row.names = TRUE) 7 write.csv(ramclustr_obj$SpecAbund, file = output_spec_abundance, row.names = TRUE)
8 8
9 if (!is.null(msp_file)) { 9 if (!is.null(msp_file)) {
10 exp.name <- ramclustr_obj$ExpDes[[1]][which(row.names(ramclustr_obj$ExpDes[[1]]) == "Experiment"), 1] 10 exp_name <- ramclustr_obj$ExpDes[[1]][which(row.names(ramclustr_obj$ExpDes[[1]]) == "Experiment"), 1]
11 filename <- paste("spectra/", exp.name, ".msp", sep = "") 11 filename <- paste("spectra/", exp_name, ".msp", sep = "")
12 file.copy(from = filename, to = msp_file, overwrite = TRUE) 12 file.copy(from = filename, to = msp_file, overwrite = TRUE)
13 } 13 }
14 } 14 }
15 15
16 load_experiment_definition <- function(filename) { 16 load_experiment_definition <- function(filename) {