Mercurial > repos > recetox > ramclustr
comparison ramclustr_wrapper.R @ 2:75dafb766417 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
| author | recetox |
|---|---|
| date | Wed, 29 Jun 2022 10:00:10 +0000 |
| parents | 36104baf75da |
| children | 2ec9253a647e |
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| 1:9a0d83c1b4b3 | 2:75dafb766417 |
|---|---|
| 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) { |