test_that("RAMClustR with xcms works", { skip_if_not_installed("xcms") set.seed(123) # to get reproducible results with jitters wd <- getwd() tmp <- tempdir() load(file.path("testdata", "test.fillpeaks")) expected <- readLines(file.path("testdata", "output.msp")) setwd(tmp) ramclustr_obj <- ramclustR(xcmsObj = xdata, maxt = 20, sr = 0.5, mzdec = 4) write.msp(ramclustr_obj, one.file = TRUE) mismatches <- setdiff(expected, readLines(file.path("spectra", "fill.msp"))) expect_true(length(mismatches) < 10) setwd(wd) }) test_that("RAMClustR with csv works", { wd <- getwd() tmp <- tempdir() filename <- file.path(wd, "testdata/peaks.csv") pheno <- file.path(wd, "testdata/phenoData.csv") expected <- readRDS(file.path("testdata", "test_csv.rds")) setwd(tmp) actual <- ramclustR( ms = filename, pheno_csv = pheno, st = 5, maxt = 1, blocksize = 1000 ) actual$history <- NA expected$history <- NA expect_equal_labels(actual$labels, expected$labels) expect_equal_MSdata(actual$MSdata, expected$MSdata) actual$labels <- expected$labels <- actual$MSdata <- expected$MSdata <- NA expect_equal(actual, expected) setwd(wd) })