Mercurial > repos > ppericard > viscorvar
view mixomics_blocksplsda.R @ 5:88c1fd2ac110 draft default tip
"planemo upload for repository https://gitlab.com/bilille/galaxy-viscorvar commit 21d09ff286a496ff475f32626d88dd42423ae663"
author | ppericard |
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date | Tue, 07 Sep 2021 10:40:08 +0000 |
parents | c8533e9298e5 |
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#!/usr/bin/env Rscript # Setup R error handling to go to stderr options( show.error.messages=F, error = function () { cat( geterrmessage(), file=stderr() ); q( "no", 1, F ) } ) # we need that to not crash galaxy with an UTF8 error on German LC settings. loc <- Sys.setlocale("LC_MESSAGES", "en_US.UTF-8") ## Get parameters ## suppressPackageStartupMessages(require(argparse)) parser <- ArgumentParser(description='Run the mixOmics block.splsda function') parser$add_argument('--block', dest='blocks_list', nargs=4, action="append", required=TRUE, help="Block name + nb variables to select + data matrix file + variables metadata file") parser$add_argument('--sample_metadata_in', dest='sample_metadata_in', required=TRUE, help="Samples metadata file") parser$add_argument('--sample_description_col', dest='sample_description_col', type='integer', default=0, help="Sample description column number") parser$add_argument('--ncomp', dest='ncomp', type='integer', default=2, help="Number of components to include in the model") parser$add_argument('--correlation', dest='correlation', action="store_true", help="Add correlation between all blocks") parser$add_argument('--scheme', dest='scheme', default="horst", help="Scheme") parser$add_argument('--maxiter', dest='maxiter', type='integer', default=100, help="Maximum number of iterations") parser$add_argument('--scale', dest='scale', action="store_true", help="Each block is standardized to zero means and unit variances") parser$add_argument('--check_missing_values', dest='check_missing_values', action="store_true", help="Check for missing values and raise an error") parser$add_argument('--init', dest='init', default="svd", help="Init (svd or svd.single)") parser$add_argument('--tol', dest='tol', type='double', default=1e-06, help="Convergence stopping value") parser$add_argument('--nearzerovar', dest='nearzerovar', action="store_true", help="Should be set in particular for data with many zero values") parser$add_argument('--rdata_out', dest='rdata_out', required=TRUE, help="Output Rdata file") # parser$add_argument('--sample_metadata_out', dest='sample_metadata_out', required=TRUE, help="Output sample metadata file") parser$add_argument('--variable_metadata_outdir', dest='variable_metadata_outdir', required=TRUE, help="Output variable metadata directory") args <- parser$parse_args() ## Print parameters print("Blocks:") print(args$blocks_list) print("Sample metadata file:") print(args$sample_metadata_in) print("Sample description column number:") print(args$sample_description_col) print("Number of components:") print(args$ncomp) print("Compute correlation between all blocks:") print(args$correlation) print("Scheme:") print(args$scheme) print("Max nb of iterations:") print(args$maxiter) print("Scale:") print(args$scale) print("Check for missing values:") print(args$check_missing_values) print("Tol:") print(args$tol) print("near.zero.var:") print(args$nearzerovar) print("Output Rdata file:") print(args$rdata_out) # print("Output sample metadata file:") # print(args$sample_metadata_out) print("Output variable metadata directory:") print(args$variable_metadata_outdir) ## Loading libraries suppressPackageStartupMessages(require(mixOmics)) ## Read sample metadata file and set description factor matrix sample_metadata <- read.table(args$sample_metadata_in, sep='\t', header=TRUE, row.names=1) sample_metadata_names <- row.names(sample_metadata) # print(sample_metadata_names) # print("Sample metadata matrix:") # print(head(sample_metadata)) description_column <- ncol(sample_metadata) if(args$sample_description_col > 0) { description_column <- args$sample_description_col } Y <- factor(sample_metadata[[description_column]]) print("Y factor matrix:") print(Y) ## Read and prepare block datasets list_X <- c() keepX <- c() for(i in 1:nrow(args$blocks_list)) { # Read block input parameters block_name <- args$blocks_list[i,1] block_keep <- strtoi(args$blocks_list[i,2]) block_data_matrix_filename <- args$blocks_list[i,3] # block_meta_var <- args$blocks_list[i,4] print(sprintf("Processing block %s", block_name)) # Store block data matrices block_data_matrix <- t(read.table(block_data_matrix_filename, sep='\t', header=TRUE, row.names=1)) # transpose the matrix so that the samples become rows and the variables become columns block_data_matrix_names <- row.names(block_data_matrix) # print(block_data_matrix_names) if(!identical(sample_metadata_names, block_data_matrix_names)) { stop("Sample names must be the same and in the same order in the sample metadata matrix and the block data matrix") } if(any(is.na(block_data_matrix))) { stop(sprintf("Block %s contains missing values. We recommend not to perform data integration with missing values. If you want to force run, change the advanced parameter 'Check for missing values' to 'No'.", block_name)) } list_X[[block_name]] <- block_data_matrix # Set the nb of variables to keep nb_variables = ncol(list_X[[block_name]]) if(block_keep > 0) { keepX[[block_name]] <- rep(block_keep, args$ncomp) } else { keepX[[block_name]] <- rep(nb_variables, args$ncomp) } print(sprintf("Block %s contains %d variables and %d will be selected", block_name, nb_variables, block_keep)) } # print(list_X) ## Generate design matrix block_nb <- nrow(args$blocks_list) design <- matrix(0, nrow = block_nb, ncol = block_nb) if(args$correlation) { design <- matrix(1, nrow = block_nb, ncol = block_nb) diag(design) <- 0 } # print("Design matrix:") # print(design) ################### ## Main function ## ################### mixomics_result <- block.splsda(X = list_X, Y = Y, ncomp = args$ncomp, keepX = keepX, design = design, scheme = args$scheme, scale = args$scale, init = args$init, tol = args$tol, max.iter = args$maxiter, near.zero.var = args$nearzerovar, all.outputs = TRUE) print("Block.splsda object:") print(mixomics_result) print(attributes(mixomics_result)) ## Save output Rdata file save(mixomics_result, file=args$rdata_out) # R script call source_local <- function(fname) { argv <- commandArgs(trailingOnly = FALSE) base_dir <- dirname(substring(argv[grep("--file=", argv)], 8)) source(paste(base_dir, fname, sep="/")) } # Load library source_local("mixomics_blocksplsda_additional_funct.R") list_union_selected_block_variables = unionSelectBlockVariables(mixomics_result) ## Save output sample metadata file # print("Block.splsda variates:") # print(mixomics_result$variates) # for(block_name in names(mixomics_result$variates)) # { # # print(block_name) # # print(mixomics_result$variates[[block_name]]) # # Format the column names to add the block name and replace spaces # colnames(mixomics_result$variates[[block_name]]) <- paste("block.splsda_variates", block_name, gsub(" ", "_", colnames(mixomics_result$variates[[block_name]])), sep = "_") # # print(mixomics_result$variates[[block_name]]) # # Append the new columns to the sample metadata matrix # sample_metadata <- cbind2(sample_metadata, mixomics_result$variates[[block_name]]) # } # print(sample_metadata) # write.table(sample_metadata, file = args$sample_metadata_out, quote = TRUE, sep = "\t", row.names = TRUE, col.names = NA) ## Save output variable metadata files in output directory # print("Block.splsda loadings:") # print(mixomics_result$loadings) for(i in 1:nrow(args$blocks_list)) { # Read again block input parameters block_name <- args$blocks_list[i,1] # block_keep <- strtoi(args$blocks_list[i,2]) # block_data_matrix_filename <- args$blocks_list[i,3] block_meta_var <- args$blocks_list[i,4] print(sprintf("Saving block %s output metavar", block_name)) meta_variable <- list_union_selected_block_variables[[i]] colnames(meta_variable) <- "block.splsda_var_select" # meta_variable <- mixomics_result$loadings[[block_name]] # print(head(meta_variable)) # Format the column names to add the block name and replace spaces # colnames(meta_variable) <- paste("block.splsda_loadings", gsub(" ", "_", colnames(meta_variable)), sep = "_") # Read input block variable metadata files if provided (optional) if(block_meta_var != "None") { input_meta_variable <- read.table(block_meta_var, sep='\t', header=TRUE, row.names=1) # print(head(input_meta_variable)) # Append the new columns to the variable metadata matrix meta_variable <- cbind2(input_meta_variable, meta_variable) } # print(head(meta_variable)) block_meta_var_output_filename <- paste("mixomics_blocksplsda_block_", block_name, "_variable_metadata.tsv", sep="") write.table(meta_variable, file = paste(args$variable_metadata_outdir,block_meta_var_output_filename, sep='/'), quote = TRUE, sep = "\t", row.names = TRUE, col.names = NA) }