make_test_mass_dataset <- function(n_variables = 5, n_samples = 4) { expression_data <- matrix( seq_len(n_variables * n_samples), nrow = n_variables, ncol = n_samples ) expression_data <- as.data.frame(expression_data) colnames(expression_data) <- paste0("sample", seq_len(n_samples)) rownames(expression_data) <- paste0("variable", seq_len(n_variables)) sample_info <- data.frame( sample_id = colnames(expression_data), injection.order = seq_len(n_samples), class = rep(c("QC", "Subject"), length.out = n_samples), group = rep(c("case", "control"), length.out = n_samples), check.names = FALSE ) variable_info <- data.frame( variable_id = rownames(expression_data), mz = seq(100, by = 10, length.out = n_variables), rt = seq(30, by = 5, length.out = n_variables), check.names = FALSE ) create_mass_dataset( expression_data = expression_data, sample_info = sample_info, variable_info = variable_info ) } expect_valid_mass_dataset <- function(object) { result <- check_mass_dataset( expression_data = object@expression_data, sample_info = object@sample_info, variable_info = object@variable_info, sample_info_note = object@sample_info_note, variable_info_note = object@variable_info_note ) testthat::expect_equal(result, "all good.") } make_ms2_test_mass_dataset <- function() { expression_data <- data.frame( sample1 = c(100, 200), sample2 = c(110, 210), stringsAsFactors = FALSE ) rownames(expression_data) <- c("feature_match", "feature_other") sample_info <- data.frame( sample_id = c("sample1", "sample2"), class = c("QC", "Subject"), group = c("case", "control"), check.names = FALSE ) variable_info <- data.frame( variable_id = c("feature_match", "feature_other"), mz = c(75.043762207031, 500.0), rt = c(31.147587, 600.0), check.names = FALSE ) create_mass_dataset( expression_data = expression_data, sample_info = sample_info, variable_info = variable_info ) }