tests/testthat/test_methods-XCMSnExp.R

test_that("XCMSnExp, XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    rts <- rtime(faahko_od)
    rts_2 <- rtime(od_x)
    expect_equal(rts, rts_2)
    ## Test with bySample.
    rts_3 <- rtime(xod_x, bySample = TRUE)
    expect_equal(rts_3, split(rts, f = fromFile(faahko_od)))
    ## Check if rtimes are correctly ordered for bySample
    rts_4 <- rtime(filterFile(faahko_od, file = 2))
    expect_equal(rts_4, rts_3[[2]])
    rts_4 <- rtime(filterFile(faahko_od, file = 3))
    expect_equal(rts_4, rts_3[[3]])
})

test_that("mz,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    tmp_od <- filterRt(faahko_od, rt = c(3500, 3800))
    tmp_xod <- filterRt(xod_x, rt = c(3500, 3800))
    mzs <- mz(tmp_od)
    ## The check below has to work, since we're calling the mz,OnDiskMSnExp.
    mzs_2 <- mz(tmp_xod, bySample = TRUE)
    tmp <- split(mzs, fromFile(tmp_od))
    expect_equal(lapply(tmp, unlist, use.names = FALSE), mzs_2)
})

test_that("intensity,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    tmp_od <- filterRt(faahko_od, rt = c(3500, 3800))
    tmp_xod <- filterRt(xod_x, rt = c(3500, 3800))
    ints <- intensity(tmp_od)
    ## The check below has to work, since we're calling the intensity,OnDiskMSnExp.
    ## ints_2 <- intensity(od_x)
    ## expect_equal(ints, ints_2)
    ints_2 <- intensity(tmp_xod, bySample = TRUE)
    tmp <- split(ints, fromFile(tmp_od))
    expect_equal(lapply(tmp, unlist, use.names = FALSE), ints_2)
})

test_that("spectra,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    ## xod_x
    tmp <- filterRt(xod_x, rt = c(2700, 2900))
    res <- spectra(tmp)
    rts <- unlist(lapply(res, rtime))
    expect_equal(rts, rtime(tmp))
    ## Check with adjusted retention times.
    tmp2 <- filterRt(xod_xgr, rt = c(2700, 2900))
    res2 <- spectra(tmp2)
    rts2 <- unlist(lapply(res2, rtime))
    expect_equal(rts2, rtime(tmp2))
    ## Now do it on one file:
    tmp <- filterFile(xod_x, file = 2)
    res <- spectra(tmp)
    expect_equal(rtime(tmp), unlist(lapply(res, rtime)))
    tmp2 <- filterFile(xod_xgr, file = 2, keepAdjustedRtime = TRUE)
    res2 <- spectra(tmp2)
    expect_equal(rtime(tmp2), unlist(lapply(res2, rtime)))
    expect_true(sum(unlist(lapply(res2, rtime)) ==
                    unlist(lapply(res, rtime))) < length(rtime(tmp)) / 4)
    res3 <- spectra(tmp2, adjusted = FALSE)
    expect_equal(res, res3)
    ## adjusted rt
    tmp <- filterFile(xod_xgr, file = 2, keepAdjustedRtime = TRUE)
    expect_true(hasAdjustedRtime(tmp))
    expect_true(is.character(all.equal(rtime(tmp, adjusted = FALSE),
                                       adjustedRtime(tmp))))
    res <- spectra(tmp)
    expect_equal(rtime(tmp), unlist(lapply(res, rtime)))
    res <- unlist(spectrapply(tmp, FUN = function(x) {rtime(x)}))
    expect_equal(res, adjustedRtime(tmp))
})

test_that("XCMSnExp accessors work", {
    skip_on_os(os = "windows", arch = "i386")

    ## Filling with data...
    xod <- as(faahko_od, "XCMSnExp")
    ## peaks
    expect_true(!hasChromPeaks(xod))
    chromPeaks(xod) <- chromPeaks(xod_x)
    expect_true(hasChromPeaks(xod))
    expect_equal(chromPeaks(xod), chromPeaks(xod_x))
    expect_error(chromPeaks(xod) <- 4)
    tmp <- chromPeaks(xod, bySample = TRUE)
    expect_true(length(tmp) == length(fileNames(xod)))
    tmp <- do.call(rbind, tmp)
    rownames(tmp) <- NULL
    pks <- chromPeaks(xod)
    rownames(pks) <- NULL
    expect_equal(tmp, pks)
    ## chromPeaks with isFilledColumn
    expect_true(all(colnames(pks) != "is_filled"))
    pks <- chromPeaks(xod_x, isFilledColumn = TRUE)
    expect_true(any(colnames(pks) == "is_filled"))
    expect_true(all(pks[, "is_filled"] == 0))
    ## chromPeaks with rt
    all_pks <- chromPeaks(xod_x)
    pks <- chromPeaks(xod_x, rt = c(2000, 2600), type = "within")
    expect_true(nrow(pks) < nrow(all_pks))
    expect_true(all(pks[, "rtmin"] >= 2000 & pks[, "rtmax"] <= 2600))
    pks <- chromPeaks(xod_x, rt = c(2000, 2600), bySample = TRUE,
                      type = "within")
    expect_true(nrow(pks[[2]]) == 0)
    pks <- chromPeaks(xod_x, rt = c(2000, 2600), type = "any")
    expect_true(all(pks[, "rtmax"] >= 2000 & pks[, "rtmin"] <= 2600))
    pks <- chromPeaks(xod_x, rt = c(2000, 2200))
    expect_true(nrow(pks) == 0)
    pks <- chromPeaks(xod_x, rt = c(2000, 2200), bySample = TRUE)
    expect_true(all(lengths(pks) == 0))
    ## chromPeaks with mz
    pks <- chromPeaks(xod_x, mz = c(280, 281), type = "within")
    expect_true(all(pks[, "mzmin"] >= 280 & pks[, "mzmax"] <= 281))
    pks <- chromPeaks(xod_x, mz = c(280, 281), bySample = TRUE, type = "within")
    expect_true(nrow(pks[[1]]) == 0)
    expect_true(nrow(pks[[3]]) == 0)
    expect_true(nrow(pks[[2]]) == 1)
    pks <- chromPeaks(xod_x, mz = c(280, 300), bySample = FALSE, type = "within")
    expect_true(all(pks[, "mzmin"] >= 280 & pks[, "mzmax"] <= 300))
    pks <- chromPeaks(xod_x, mz = c(280, 300), bySample = FALSE, type = "any")
    expect_true(all(pks[, "mzmax"] >= 280 & pks[, "mzmin"] <= 300))
    pks <- chromPeaks(xod_x, mz = c(200, 210), bySample = FALSE)
    expect_true(nrow(pks) == 0)
    pks <- chromPeaks(xod_x, mz = c(200, 210), bySample = TRUE)
    expect_true(all(lengths(pks) == 0))
    ## chromPeaks with both
    pks <- chromPeaks(xod_x, mz = c(280, 300), rt = c(3000, 3300),
                      type = "within")
    expect_true(all(pks[, "mzmin"] >= 280 & pks[, "mzmax"] <= 300))
    expect_true(all(pks[, "rtmin"] >= 3000 & pks[, "rtmax"] <= 3300))
    pks <- chromPeaks(xod_x, mz = c(280, 300), rt = c(3000, 3300),
                      type = "any")
    expect_true(all(pks[, "mzmax"] >= 280 & pks[, "mzmin"] <= 300))
    expect_true(all(pks[, "rtmax"] >= 3000 & pks[, "rtmin"] <= 3300))
    ## Wrong assignments.
    pks <- chromPeaks(xod_x)
    pks[1, "sample"] <- 40
    expect_error(chromPeaks(xod) <- pks)
    ## featureDefinitions
    expect_true(!hasFeatures(xod))
    fd <- featureDefinitions(xod_xg)
    fd$ms_level <- 2L
    featureDefinitions(xod) <- fd
    expect_true(hasChromPeaks(xod))
    expect_true(hasFeatures(xod))
    expect_true(hasFeatures(xod, msLevel = 2L))
    expect_equal(featureDefinitions(xod), fd)
    expect_true(nrow(featureDefinitions(xod, msLevel = 2L)) > 0)
    fd$ms_level <- 1L
    featureDefinitions(xod) <- fd
    expect_true(nrow(featureDefinitions(xod, msLevel = 2L)) == 0)
    expect_false(hasFeatures(xod, msLevel = 2L))
    ## featureDefinitions with mz and/or rt range:
    obj <- xod_xgrg
    feat_def <- featureDefinitions(obj)
    ## Within
    mzr <- c(300, 330)
    keep_mz <- feat_def$mzmin > mzr[1] & feat_def$mzmax < mzr[2]
    expect_equal(featureDefinitions(obj, mz = mzr, type = "within"),
                 feat_def[keep_mz, ])
    rtr <- c(3000, 3800)
    keep_rt <- feat_def$rtmin > rtr[1] & feat_def$rtmax < rtr[2]
    expect_equal(featureDefinitions(obj, rt = rtr, type = "within"),
                 feat_def[keep_rt, ])
    expect_equal(featureDefinitions(obj, rt = rtr, mz = mzr,
                                    type = "within"),
                 feat_def[keep_rt & keep_mz, ])
    ## Any
    mzr <- range(featureDefinitions(obj)[2, "mzmed"])
    ## Defining all possible cases; the internal function uses more cleverer
    ## approach.
    keep_mz <- (feat_def$mzmax >= mzr[1] & feat_def$mzmax <= mzr[2]) |
        (feat_def$mzmin >= mzr[1] & feat_def$mzmin <= mzr[2]) |
        (feat_def$mzmin <= mzr[1] & feat_def$mzmax >= mzr[2])
    expect_equal(featureDefinitions(obj, mz = mzr, type = "any"),
                 feat_def[keep_mz, , drop = FALSE])
    rtr <- range(c(3420, 3430))
    keep_rt <- (feat_def$rtmax >= rtr[1] & feat_def$rtmax <= rtr[2]) |
        (feat_def$rtmin >= rtr[1] & feat_def$rtmin <= rtr[2]) |
        (feat_def$rtmin <= rtr[1] & feat_def$rtmax >= rtr[2])
    expect_true(nrow(featureDefinitions(obj, rt = rtr, type = "within")) == 1)
    expect_equal(featureDefinitions(obj, rt = rtr, type = "any"),
                 feat_def[keep_rt, , drop = FALSE])
    expect_equal(featureDefinitions(obj, rt = rtr, mz = mzr, type = "any"),
                 feat_def[keep_rt & keep_mz, , drop = FALSE])

    ## adjustedRtime
    expect_true(!hasAdjustedRtime(xod))
    expect_true(hasAdjustedRtime(xod_r))
    suppressWarnings(expect_equal(adjustedRtime(xod), NULL))
    expect_equal(rtime(xod_r, adjusted = FALSE), rtime(xod))
    expect_equal(rtime(xod_r), adjustedRtime(xod_r))
    expect_true(is.character(all.equal(rtime(xod_r), rtime(xod_r, adjusted = FALSE))))
    ## Indirect test that the ordering of the adjusted retention times matches
    ## ordering of rtime.
    ## From MSnbase version >= 2.3.9 values are ordered first by file then by
    ## spectrum.
    if (grepl("^F", names(rtime(xod_r)[1]))) {
        rts_by_sample <- adjustedRtime(xod_r, bySample = TRUE)
        rts <- adjustedRtime(xod_r)
        expect_equal(unname(rts_by_sample[[2]]),
                     unname(rts[grep(names(rts), pattern = "F2")]))
        expect_equal(unname(unlist(rts_by_sample)),
                     unname(rts))
    }
    xod2 <- xod_r
    ## Wrong assignments.
    expect_error(adjustedRtime(xod2) <- faahko_xsg@rt$corrected[1:2])
    ## bracket subset
    tmp <- xod2[1]
    expect_true(length(tmp[[1]]) == 1)
    expect_true(length(xod2[[1]]) == 1)
})

test_that("findChromPeaks,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    ## Call findChromPeaks on an XCMSnExp
    tmp <- findChromPeaks(filterFile(xod_x, 1),
                          param = CentWaveParam(noise = 10000,
                                                snthresh = 40,
                                                prefilter = c(3, 10000)))
    expect_equal(unname(chromPeaks(tmp)), unname(chromPeaks(filterFile(xod_x, 1))))
    ## Check that it works also on adjusted retention times:
    tmp <- findChromPeaks(xod_r, param = CentWaveParam(noise = 10000,
                                                       snthresh = 40,
                                                       prefilter = c(3, 10000)))
    expect_true(hasAdjustedRtime(tmp))
    expect_equal(
        length(processHistory(tmp, type = .PROCSTEP.RTIME.CORRECTION)),1)
    expect_true(sum(chromPeaks(tmp)[, "rt"] != chromPeaks(xod_x)[, "rt"]) >
                ncol(chromPeaks(tmp)))
    tmp_sub <- filterFile(xod_r, file = 1, keepAdjustedRtime = TRUE)
    expect_equal(rtime(tmp_sub, adjusted = TRUE),
                 rtime(xod_r, bySample = TRUE, adjusted = TRUE)[[1]])
    spctr <- spectra(tmp_sub)
    mz_values <- lapply(spctr, mz)
    int_values <- unlist(lapply(spctr, intensity))
    res_2 <- do_findChromPeaks_centWave(mz = unlist(mz_values),
                                        int = int_values,
                                        scantime = rtime(tmp_sub,
                                                         adjusted = TRUE),
                                        valsPerSpect = lengths(mz_values),
                                        noise = 10000, snthresh = 40)
    pks <- chromPeaks(tmp)
    rownames(pks) <- NULL
    pks <- pks[pks[, "sample"] == 1, colnames(res_2)]
    expect_equal(res_2, pks)

    ## Adding peak detection results
    res <- findChromPeaks(
        xod_x, param = CentWaveParam(noise = 8000, snthresh = 40,
                                     prefilter = c(3, 8000),
                                     verboseColumns = TRUE), add = TRUE)
    expect_true(length(processHistory(res)) ==
                (length(processHistory(xod_x)) + 1))
    expect_true(nrow(chromPeaks(res)) > nrow(chromPeaks(xod_x)))
    expect_true(ncol(chromPeaks(res)) > ncol(chromPeaks(xod_x)))
    expect_true(length(unique(rownames(chromPeaks(res)))) == nrow(chromPeaks(res)))
})

test_that("processHistory,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    ph <- ProcessHistory(fileIndex. = 2, info. = "For file 2")
    ph_2 <- ProcessHistory(fileIndex. = 1:2, info. = "For files 1 to 2")
    xod <- as(od_x, "XCMSnExp")
    xod@.processHistory <- list(ph, ph_2)
    expect_equal(processHistory(xod), list(ph, ph_2))
    expect_equal(processHistory(xod, fileIndex = 2), list(ph, ph_2))
    expect_equal(processHistory(xod, fileIndex = 1), list(ph_2))
    expect_error(processHistory(xod, fileIndex = 5))

    ph_3 <- XProcessHistory(fileIndex = 1, param = CentWaveParam())
    xod <- addProcessHistory(xod, ph_3)
    expect_equal(length(processHistory(xod)), 3)
    expect_equal(processHistory(xod)[[3]], ph_3)
    expect_equal(processHistory(xod, fileIndex = 1), list(ph_2, ph_3))
    expect_true(validObject(xod))
})

test_that("dropChromPeaks,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    ## 1) dropDetectedFeatures: delete all process history steps and all data.
    res <- dropChromPeaks(xod_x)
    expect_true(!hasChromPeaks(res))
    expect_true(.has_chrom_peak_data(xod_x@msFeatureData))
    expect_false(.has_chrom_peak_data(res@msFeatureData))
    expect_true(length(processHistory(res, type = .PROCSTEP.PEAK.DETECTION)) == 0)
    ##
    res <- dropChromPeaks(xod_xg)
    expect_true(!hasChromPeaks(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.PEAK.DETECTION)) == 0)
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.PEAK.GROUPING)) == 0)
    ##
    res <- dropChromPeaks(xod_xgr)
    expect_true(!hasChromPeaks(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.PEAK.DETECTION)) == 0)
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.PEAK.GROUPING)) == 0)
    expect_true(!hasAdjustedRtime(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.RTIME.CORRECTION)) == 0)
    expect_equal(rtime(res), rtime(od_x))
    res <- dropChromPeaks(xod_xgr, keepAdjustedRtime = TRUE)
    expect_true(!hasChromPeaks(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.PEAK.DETECTION)) == 0)
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.PEAK.GROUPING)) == 0)
    expect_true(hasAdjustedRtime(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.RTIME.CORRECTION)) == 1)
    expect_equal(rtime(res), rtime(xod_xgr))
    ##
    res <- dropChromPeaks(xod_xgrg)
    expect_true(!hasChromPeaks(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.PEAK.DETECTION)) == 0)
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.FEATURE.GROUPING)) == 0)
    expect_true(!hasAdjustedRtime(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.RTIME.CORRECTION)) == 0)
    expect_equal(rtime(res), rtime(od_x))
    res <- dropChromPeaks(xod_xgrg, keepAdjustedRtime = TRUE)
    expect_true(!hasChromPeaks(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.PEAK.DETECTION)) == 0)
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.PEAK.GROUPING)) == 0)
    expect_true(hasAdjustedRtime(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.RTIME.CORRECTION)) == 1)
    expect_equal(rtime(res), rtime(xod_xgrg))
})

test_that("dropFeatureDefinitions,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    ## 2) dropFeatureDefinitions:
    ##    a) drop the feature groups and the latest related process history
    ##    b) if retention time correction was performed AFTER the latest feature
    ##       grouping, drop also the retention time correction and all related
    ##       process histories.
    res <- dropFeatureDefinitions(xod_x)
    expect_equal(res, xod_x)
    res <- dropFeatureDefinitions(xod_xg)
    expect_equal(res, xod_x)
    ## Remove the latest ones.
    res <- dropFeatureDefinitions(xod_xgrg)
    expect_equal(res, xod_xgr)
    expect_true(!hasFeatures(res))
    expect_true(hasAdjustedRtime(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.RTIME.CORRECTION)) == 1)
    expect_equal(rtime(res, adjusted = FALSE), rtime(od_x))
    expect_equal(rtime(res, adjusted = TRUE), rtime(xod_xgr))
})

test_that("dropAdjustedRtime,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    ## 3) dropAdjustedRtime:
    ##    a) drop the retention time adjustment and related process histories
    ##    b) if grouping has been performed AFTER retention time correction,
    ##       drop the feature alignment and all related process histories.
    ##    c) if grouping has been performed BEFORE retention time correction,
    ##       do nothing.
    res <- dropAdjustedRtime(xod_xg)
    expect_equal(res, xod_xg)
    ## This drops also the process history for alignment.
    res <- dropAdjustedRtime(xod_xgr)
    expect_true(hasChromPeaks(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.PEAK.GROUPING)) == 0)
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.RTIME.CORRECTION)) == 0)
    expect_true(!hasAdjustedRtime(res))
    expect_equal(chromPeaks(res), chromPeaks(xod_x))
    expect_equal(rtime(res), rtime(xod_xgr, adjusted = FALSE))
    ## expect_equal(res, xod_x)
    ## This drops also the feature alignment performed later.
    res <- dropAdjustedRtime(xod_xgrg)
    expect_true(hasChromPeaks(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.PEAK.DETECTION)) == 1)
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.PEAK.GROUPING)) == 0)
    expect_true(!hasAdjustedRtime(res))
    expect_true(length(processHistory(res, type = .PROCSTEP.RTIME.CORRECTION)) == 0)
    expect_equal(chromPeaks(res), chromPeaks(xod_x))
    ## expect_equal(res, xod_x)
    expect_equal(rtime(res), rtime(xod_xgrg, adjusted = FALSE))
})

test_that("XCMSnExp inherited methods work", {
    skip_on_os(os = "windows", arch = "i386")

    ## [
    tmp_1 <- faahko_od[1:10]
    tmp_2 <- xod_x[1:10]
    expect_true(length(processHistory(tmp_2)) == 0)
    expect_true(!hasChromPeaks(tmp_2))
    tmp_1@processingData <- new("MSnProcess")
    tmp_2@processingData <- new("MSnProcess")
    expect_equal(tmp_1, as(tmp_2, "OnDiskMSnExp"))
    expect_error(xod_r[1, 1])
    idxs <- c(1432, 1621, 2492, 3001, 3013)
    tmp <- xod_r[idxs]
    expect_true(length(tmp) == length(idxs))
    expect_equal(mz(xod_r)[idxs], mz(tmp))
    expect_true(hasAdjustedRtime(xod_r) != hasAdjustedRtime(tmp))
    ## keeping adjusted retention times:
    tmp <- xod_r[idxs, keepAdjustedRtime = TRUE]
    expect_true(hasAdjustedRtime(tmp))
    expect_equal(rtime(xod_r)[idxs], rtime(tmp))
    expect_true(length(processHistory(tmp, type = .PROCSTEP.RTIME.CORRECTION)) == 0)
    ## Same with object containing also peaks and features
    tmp <- xod_xgrg[idxs]
    expect_true(!hasAdjustedRtime(tmp))
    expect_true(!hasChromPeaks(tmp))
    expect_true(!hasFeatures(tmp))
    tmp <- xod_xgrg[idxs, keepAdjusted = TRUE]
    expect_true(hasAdjustedRtime(tmp))
    expect_equal(rtime(xod_xgrg)[idxs], rtime(tmp))
    expect_true(length(processHistory(tmp)) == 0)

    ## [[
    spct <- xod_x[[13]]
    expect_true(is(spct, "Spectrum1"))
    expect_equal(rtime(spct), unname(rtime(xod_x)[13]))
    expect_equal(mz(spct), mz(xod_x)[[13]])
    ## Have to ensure that, if x has adjusted retention times, that these are
    ## reported in the Spectrum.
    spct <- xod_r[[13]]
    expect_equal(rtime(spct), unname(rtime(xod_r, adjusted = TRUE)[13]))
    expect_true(rtime(spct) != rtime(xod_r, adjusted = FALSE)[13])

    ## bin
    tmp_1 <- bin(faahko_od, binSize = 20)
    expect_warning(tmp_2 <- bin(xod_x, binSize = 20))
    expect_true(length(processHistory(tmp_2)) == 0)
    expect_true(!hasChromPeaks(tmp_2))
    tmp_1@processingData <- new("MSnProcess")
    tmp_2@processingData <- new("MSnProcess")
    expect_equal(tmp_1, as(tmp_2, "OnDiskMSnExp"))
    ## clean
    tmp_1 <- clean(faahko_od)
    expect_warning(tmp_2 <- clean(xod_x))
    expect_true(length(processHistory(tmp_2)) == 0)
    expect_true(!hasChromPeaks(tmp_2))
    tmp_1@processingData <- new("MSnProcess")
    tmp_2@processingData <- new("MSnProcess")
    expect_equal(tmp_1, as(tmp_2, "OnDiskMSnExp"))
    ## filterAcquisitionNum
    tmp_1 <- filterAcquisitionNum(faahko_od)
    expect_warning(tmp_2 <- filterAcquisitionNum(xod_x))
    expect_true(length(tmp_2[[1]]) > 0)
    expect_true(length(processHistory(tmp_2)) == 0)
    expect_true(!hasChromPeaks(tmp_2))
    tmp_1@processingData <- new("MSnProcess")
    tmp_2@processingData <- new("MSnProcess")
    expect_equal(tmp_1, as(tmp_2, "OnDiskMSnExp"))
    ## filterMsLevel
    tmp_1 <- filterMsLevel(faahko_od)
    tmp_2 <- filterMsLevel(xod_x)
    expect_equal(tmp_2, xod_x)
    expect_equal(length(filterMsLevel(xod_x, msLevel = 2)), 0)
    ## If we've got adjusted retention times, keep them.
    tmp_1 <- filterMsLevel(xod_xgr, msLevel = 1)
    expect_true(hasAdjustedRtime(tmp_1))
    expect_equal(rtime(tmp_1), rtime(xod_xgr)) # adjusted rt present
    tmp_1 <- filterMsLevel(xod_xgrg, msLevel = 1,
                           keepAdjustedRtime = FALSE)
    expect_true(!hasAdjustedRtime(tmp_1))
    expect_equal(rtime(tmp_1), rtime(xod_xgr, adjusted = FALSE))
    ## normalize
    tmp_1 <- normalize(faahko_od)
    expect_warning(tmp_2 <- normalize(xod_x))
    expect_true(length(processHistory(tmp_2)) == 0)
    expect_true(!hasChromPeaks(tmp_2))
    tmp_1@processingData <- new("MSnProcess")
    tmp_2@processingData <- new("MSnProcess")
    expect_equal(tmp_1, as(tmp_2, "OnDiskMSnExp"))
    ## pickPeaks
    tmp_1 <- pickPeaks(faahko_od)
    expect_warning(tmp_2 <- pickPeaks(xod_x))
    expect_true(length(processHistory(tmp_2)) == 0)
    expect_true(!hasChromPeaks(tmp_2))
    tmp_1@processingData <- new("MSnProcess")
    tmp_2@processingData <- new("MSnProcess")
    expect_equal(tmp_1, as(tmp_2, "OnDiskMSnExp"))
    ## removePeaks
    tmp_1 <- removePeaks(faahko_od)
    expect_warning(tmp_2 <- removePeaks(xod_x))
    expect_true(length(processHistory(tmp_2)) == 0)
    expect_true(!hasChromPeaks(tmp_2))
    tmp_1@processingData <- new("MSnProcess")
    tmp_2@processingData <- new("MSnProcess")
    expect_equal(tmp_1, as(tmp_2, "OnDiskMSnExp"))
    ## smooth
    tmp_1 <- smooth(faahko_od)
    expect_warning(tmp_2 <- smooth(xod_x))
    expect_true(length(processHistory(tmp_2)) == 0)
    expect_true(!hasChromPeaks(tmp_2))
    tmp_1@processingData <- new("MSnProcess")
    tmp_2@processingData <- new("MSnProcess")
    expect_equal(tmp_1, as(tmp_2, "OnDiskMSnExp"))
})

test_that("filterFile,XCMSnExp and .filter_file_XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    ## filterFile
    tmp <- filterFile(xod_x, file = 2)
    expect_error(tmp@msFeatureData$bla <- 3)
    expect_true(!hasAdjustedRtime(tmp))
    expect_true(!hasFeatures(tmp))
    expect_true(all(chromPeaks(tmp)[, "sample"] == 1))
    expect_equal(chromPeaks(tmp)[, colnames(chromPeaks(tmp)) != "sample"],
                 chromPeaks(xod_x)[chromPeaks(xod_x)[, "sample"] == 2,
                                   colnames(chromPeaks(xod_x)) != "sample"])
    expect_true(length(processHistory(tmp)) == 1)
    ## expect_equal(fileIndex(processHistory(tmp)[[1]]), 1)
    ## check with other index.
    tmp <- filterFile(xod_x, file = c(1, 3))
    expect_true(length(tmp[[1]]) == 1)
    expect_true(!hasAdjustedRtime(tmp))
    expect_true(!hasFeatures(tmp))
    expect_true(all(chromPeaks(tmp)[, "sample"] %in% c(1, 2)))
    a <- chromPeaks(tmp)
    b <- chromPeaks(xod_x)
    expect_equal(a[, colnames(a) != "sample"],
                 b[b[, "sample"] %in% c(1, 3), colnames(b) != "sample"])
    expect_true(length(processHistory(tmp)) == 1)
    ## expect_equal(fileIndex(processHistory(tmp)[[1]]), c(1, 2))

    ## Errors
    expect_error(filterFile(xod_x, file = 5))
    expect_error(filterFile(xod_x, file = 1:5))

    ## Little mockup to check correctness of Process history.
    od_2 <- xod_x
    od_2 <- addProcessHistory(
        od_2, ProcessHistory(type = .PROCSTEP.RTIME.CORRECTION))
    od_2 <- addProcessHistory(
        od_2, ProcessHistory(type = .PROCSTEP.UNKNOWN,
                                    fileIndex = 2,
                                    info. = "I should be here"))
    od_2 <- addProcessHistory(
        od_2, ProcessHistory(type = .PROCSTEP.UNKNOWN,
                                    fileIndex = 1, info. = "EEEEEE"))

    tmp <- filterFile(od_2, file = 2)
    ph <- processHistory(tmp)
    expect_true(length(ph) == 4)
    expect_equal(processType(ph[[3]]), .PROCSTEP.UNKNOWN)
    b <- unlist(lapply(ph, function(z) {
        processInfo(z) == "I should be here"
    }))
    expect_true(any(b))
    b <- unlist(lapply(ph, function(z) {
        processInfo(z) == "EEEEEE"
    }))
    ## expect_true(!any(b))
    ## Do filterFile on xod_xg
    res <- filterFile(xod_xg, file = 2)
    expect_true(hasChromPeaks(res))
    expect_true(!hasAdjustedRtime(res))
    expect_true(!hasFeatures(res))
    tmp <- chromPeaks(xod_xg)
    expect_equal(chromPeaks(res)[, colnames(chromPeaks(res)) != "sample"],
                 tmp[tmp[, "sample"] == 2, colnames(tmp) != "sample"])
    expect_equal(rtime(res), rtime(xod_xg, bySample = TRUE)[[2]])
    ## with keepFeatures = TRUE
    res <- .filter_file_XCMSnExp(xod_xg, file = 2, keepFeatures = TRUE)
    expect_true(hasChromPeaks(res))
    expect_true(hasFeatures(res))
    fvals <- featureValues(xod_xg)[, 2, drop = FALSE]
    expect_equal(featureValues(res), fvals[!is.na(fvals[,1]), , drop = FALSE])
    res <- filterFile(xod_xg, file = c(1, 3), keepFeatures = TRUE)
    expect_true(hasFeatures(res))
    fvals <- featureValues(xod_xg)[, c(1, 3)]
    expect_equal(featureValues(res), fvals)
    ## Do filterFile on xod_xgr
    ## Should remove adjusted rts and revert the original peak rts.
    res <- .filter_file_XCMSnExp(xod_xgr, keepAdjustedRtime = FALSE, file = 2)
    expect_true(hasChromPeaks(res))
    tmp <- chromPeaks(xod_xg)
    expect_equal(chromPeaks(res)[, colnames(chromPeaks(res)) != "sample"],
                 tmp[tmp[, "sample"] == 2, colnames(tmp) != "sample"])
    expect_equal(rtime(res), rtime(xod_xg, bySample = TRUE)[[2]])
    expect_true(!hasAdjustedRtime(res))
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res)) == 3)
    expect_equal(processType(processHistory(res)[[1]]), "Peak detection")
    ## The same but keep the adjusted retention times.
    res <- .filter_file_XCMSnExp(xod_xgr, file = 2, keepAdjustedRtime = TRUE)
    expect_true(hasChromPeaks(res))
    tmp <- chromPeaks(xod_xgr)
    expect_equal(chromPeaks(res)[, colnames(chromPeaks(res)) != "sample"],
                 tmp[tmp[, "sample"] == 2, colnames(tmp) != "sample"])
    ## has to be different from the ones in xod_x
    tmp <- chromPeaks(xod_x)
    expect_true(sum(chromPeaks(res)[, "rt"] == tmp[tmp[, "sample"] == 2, "rt"]) <
                nrow(tmp) / 4)
    expect_equal(rtime(res), rtime(xod_xgr, bySample = TRUE)[[2]])
    expect_equal(adjustedRtime(res), adjustedRtime(xod_xgr, bySample = TRUE)[[2]])
    expect_true(hasAdjustedRtime(res))
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res)) == 3)
    expect_equal(processType(processHistory(res)[[1]]), "Peak detection")
    expect_equal(processType(processHistory(res)[[2]]), "Peak grouping")
    expect_equal(processType(processHistory(res)[[3]]), "Retention time correction")
    res <- filterFile(xod_xgr, file = 2:3)
    expect_true(hasAdjustedRtime(res))
    expect_equal(adjustedRtime(xod_xgr, bySample = TRUE)[[2]],
                 adjustedRtime(res, bySample = TRUE)[[1]])
    expect_equal(adjustedRtime(xod_xgr, bySample = TRUE)[[3]],
                 adjustedRtime(res, bySample = TRUE)[[2]])
    ## Do filterFile on xod_xgrg
    res <- filterFile(xod_xgrg, keepAdjustedRtime = FALSE, file = c(1, 3))
    expect_true(hasChromPeaks(res))
    tmp <- chromPeaks(xod_x)
    expect_equal(chromPeaks(res)[, colnames(chromPeaks(res)) != "sample"],
                 tmp[tmp[, "sample"] %in% c(1, 3), colnames(tmp) != "sample"])
    expect_equal(unname(rtime(res, bySample = TRUE)),
                 unname(rtime(xod_xg, bySample = TRUE)[c(1, 3)]))
    expect_true(!hasAdjustedRtime(res))
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res)) == 3)
    expect_equal(processType(processHistory(res)[[1]]), "Peak detection")
    ## keep adjusted rtime
    res <- filterFile(xod_xgrg, file = c(1, 3), keepAdjustedRtime = TRUE)
    expect_true(hasChromPeaks(res))
    tmp <- chromPeaks(xod_xgr)
    expect_equal(chromPeaks(res)[, colnames(chromPeaks(res)) != "sample"],
                 tmp[tmp[, "sample"] %in% c(1, 3), colnames(tmp) != "sample"])
    ## has to be different from the ones in xod_x
    tmp <- chromPeaks(xod_x)
    expect_true(sum(chromPeaks(res)[, "rt"] == tmp[tmp[, "sample"] %in% c(1, 3), "rt"]) <
                nrow(tmp) / 4)
    expect_equal(rtime(res, bySample = TRUE),
                 rtime(xod_xgr, bySample = TRUE)[c(1, 3)])
    expect_equal(adjustedRtime(res, bySample = TRUE),
                 adjustedRtime(xod_xgr, bySample = TRUE)[c(1, 3)])
    expect_true(hasAdjustedRtime(res))
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res)) == 3)
    expect_equal(processType(processHistory(res)[[1]]), "Peak detection")
    expect_equal(processType(processHistory(res)[[2]]), "Peak grouping")
    expect_equal(processType(processHistory(res)[[3]]), "Retention time correction")
    ## keep also features
    res <- filterFile(xod_xgrg, file = c(1, 3), keepFeatures = TRUE)
    expect_true(hasFeatures(res))
    expect_equal(featureValues(res), featureValues(xod_xgrg)[, c(1, 3)])
})

test_that("filterMz,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    ## subset on xod_x
    res <- filterMz(xod_x, mz = c(300, 400))
    expect_true(length(res[[1]]) == 1)
    expect_true(length(res@spectraProcessingQueue) == 1)
    expect_true(hasChromPeaks(res))
    expect_true(all(chromPeaks(res)[, "mz"] >= 300 & chromPeaks(res)[, "mz"] <= 400))
    expect_true(nrow(chromPeaks(res)) < nrow(chromPeaks(xod_x)))
    idx <- which(chromPeaks(xod_x)[, "mzmin"] >= 300 &
                 chromPeaks(xod_x)[, "mzmax"] <= 400)
    expect_equal(chromPeaks(res), chromPeaks(xod_x)[idx, ])
    expect_true(!hasAdjustedRtime(res))
    expect_true(!hasFeatures(res))
    ## subset on xod_xg
    res <- filterMz(xod_xg, mz = c(300, 400))
    expect_true(validObject(res))
    expect_true(length(res[[1]]) == 1)
    expect_true(length(res@spectraProcessingQueue) == 1)
    expect_true(hasChromPeaks(res))
    expect_true(all(chromPeaks(res)[, "mz"] >= 300 & chromPeaks(res)[, "mz"] <= 400))
    expect_true(nrow(chromPeaks(res)) < nrow(chromPeaks(xod_x)))
    idx <- which(chromPeaks(xod_xg)[, "mzmin"] >= 300 &
                 chromPeaks(xod_xg)[, "mzmax"] <= 400)
    expect_equal(chromPeaks(res), chromPeaks(xod_xg)[idx, ])
    expect_true(!hasAdjustedRtime(res))
    expect_true(hasFeatures(res))
    expect_true(nrow(featureDefinitions(res)) < nrow(featureDefinitions(xod_xg)))
    expect_true(all(featureDefinitions(res)[, "mzmed"] >= 300 &
                    featureDefinitions(res)[, "mzmed"] <= 400))
    expect_true(all(featureDefinitions(res)[, "mzmin"] >= 300 &
                    featureDefinitions(res)[, "mzmin"] <= 400))
    expect_true(all(featureDefinitions(res)[, "mzmax"] >= 300 &
                    featureDefinitions(res)[, "mzmax"] <= 400))
    ## subset on xod_xgr
    ## o keep chromPeaks
    ## o keep adjusted rtime
    res <- filterMz(xod_xgr, mz = c(300, 400))
    expect_true(validObject(res))
    expect_true(length(res[[1]]) == 1)
    expect_true(length(res@spectraProcessingQueue) == 1)
    expect_true(hasChromPeaks(res))
    expect_true(all(chromPeaks(res)[, "mz"] >= 300 & chromPeaks(res)[, "mz"] <= 400))
    expect_true(nrow(chromPeaks(res)) < nrow(chromPeaks(xod_x)))
    idx <- which(chromPeaks(xod_xgr)[, "mzmin"] >= 300 &
                 chromPeaks(xod_xgr)[, "mzmax"] <= 400)
    expect_equal(chromPeaks(res), chromPeaks(xod_xgr)[idx, ])
    expect_true(hasAdjustedRtime(res))
    expect_equal(adjustedRtime(res), adjustedRtime(xod_xgr))
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res)) == 3)
    ## subset xod_xgrg
    res <- filterMz(xod_xgrg, mz = c(300, 400))
    expect_true(validObject(res))
    expect_true(length(res[[1]]) == 1)
    expect_true(length(res@spectraProcessingQueue) == 1)
    expect_true(hasChromPeaks(res))
    expect_true(all(chromPeaks(res)[, "mz"] >= 300 & chromPeaks(res)[, "mz"] <= 400))
    expect_true(nrow(chromPeaks(res)) < nrow(chromPeaks(xod_xgrg)))
    idx <- which(chromPeaks(xod_xgrg)[, "mzmin"] >= 300 &
                 chromPeaks(xod_xgrg)[, "mzmax"] <= 400)
    expect_equal(chromPeaks(res), chromPeaks(xod_xgrg)[idx, ])
    expect_true(hasAdjustedRtime(res))
    expect_equal(adjustedRtime(res), adjustedRtime(xod_xgrg))
    expect_true(hasFeatures(res))
    expect_true(nrow(featureDefinitions(res)) < nrow(featureDefinitions(xod_xgrg)))
    expect_true(all(featureDefinitions(res)[, "mzmed"] >= 300 &
                    featureDefinitions(res)[, "mzmed"] <= 400))
    expect_true(all(featureDefinitions(res)[, "mzmin"] >= 300 &
                    featureDefinitions(res)[, "mzmin"] <= 400))
    expect_true(all(featureDefinitions(res)[, "mzmax"] >= 300 &
                    featureDefinitions(res)[, "mzmax"] <= 400))
    ## With groups - no groups within this range
    mzr <- c(595, 600)
    res <- filterMz(xod_xg, mz = mzr)
    expect_true(!hasFeatures(res))
    expect_true(hasChromPeaks(res))
    expect_true(all(chromPeaks(res)[, "mz"] >= 595 & chromPeaks(res)[, "mz"] <= 600))
    res <- filterMz(xod_xgrg, mz = mzr)
    expect_true(!hasFeatures(res))
    expect_true(hasChromPeaks(res))
    expect_true(all(chromPeaks(res)[, "mz"] >= 595 & chromPeaks(res)[, "mz"] <= 600))
})

test_that("filterRt,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    ## xod_x
    res <- filterRt(xod_x, rt = c(2700, 2900))
    ## Check if the object is OK:
    expect_equal(pData(res), pData(xod_x))
    spct <- spectra(res)
    expect_true(length(spct) > 0)
    ## MsFeatureData has to be locked!
    expect_error(res@msFeatureData$bla <- 3)
    ## Retention time has to be within the range.
    expect_true(all(rtime(res) >= 2700 & rtime(res) <= 2900))
    rtm <- unlist(lapply(spct, rtime))
    expect_true(all(rtm >= 2700 & rtm <= 2900))
    ## peaks have to be within the range.
    expect_true(all(chromPeaks(res)[, "rt"] >= 2700 &
                    chromPeaks(res)[, "rt"] <= 2900))
    are_within <- chromPeaks(xod_x)[, "rt"] >= 2700 &
        chromPeaks(xod_x)[, "rt"] <= 2900
    expect_equal(chromPeaks(res), chromPeaks(xod_x)[are_within,])
    ## Have a feature detection process history.
    expect_equal(length(processHistory(res)), 1)
    expect_equal(processType(processHistory(res)[[1]]),
                 .PROCSTEP.PEAK.DETECTION)
    ## filter such that we keep some spectra but no chromPeaks:
    res <- filterRt(xod_x, rt = c(4200, 4400))
    expect_true(all(rtime(res) >= 4200 & rtime(res) <= 4400))
    expect_true(!hasChromPeaks(res))
    expect_true(length(processHistory(res)) == 0)
    ## No rt
    res <- filterRt(xod_x, rt = c(10, 20))
    expect_true(length(res) == 0)

    ## xod_xg
    ## o keep also the feature groups that are within the window.
    res <- filterRt(xod_xg, rt = c(2700, 2900))
    expect_true(all(rtime(res) >= 2700 & rtime(res) <= 2900))
    expect_equal(hasChromPeaks(res), hasChromPeaks(xod_xg))
    expect_true(all(chromPeaks(res)[, "rt"] >= 2700 &
                    chromPeaks(res)[, "rt"] <= 2900))
    are_within <- chromPeaks(xod_x)[, "rt"] >= 2700 &
        chromPeaks(xod_x)[, "rt"] <= 2900
    expect_equal(chromPeaks(res), chromPeaks(xod_xg)[are_within,])
    expect_true(!hasAdjustedRtime(res))
    expect_true(hasFeatures(res))
    expect_true(all(featureDefinitions(res)$rtmed >= 2700 &
                                           featureDefinitions(res)$rtmed <= 2900))
    expect_true(nrow(featureDefinitions(res)) < nrow(featureDefinitions(xod_xg)))
    expect_true(length(processHistory(res)) == 2)
    expect_true(length(processHistory(res, type = "Peak detection")) == 1)
    expect_true(length(processHistory(res, type = "Peak grouping")) == 1)
    ## All feature idx have to match.
    expect_true(all(unlist(featureDefinitions(res)$peakidx) %in%
                    1:nrow(chromPeaks(res))))
    ## Filter such that we don't have any chromPeaks.
    res <- filterRt(xod_xg, rt = c(4200, 4400))
    expect_true(all(rtime(res) >= 4200 & rtime(res) <= 4400))
    expect_true(!hasChromPeaks(res))
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res)) == 0)
    ## No rt
    res <- filterRt(xod_xg, rt = c(10, 20))
    expect_true(length(res) == 0)

    ## xod_xgr
    res <- filterRt(xod_xgr, rt = c(2700, 2900))
    expect_true(all(rtime(res) >= 2700 & rtime(res) <= 2900))
    expect_equal(hasChromPeaks(res), hasChromPeaks(xod_xg))
    expect_true(all(chromPeaks(res)[, "rt"] >= 2700 &
                    chromPeaks(res)[, "rt"] <= 2900))
    are_within <- chromPeaks(xod_xgr)[, "rt"] >= 2700 &
        chromPeaks(xod_xgr)[, "rt"] <= 2900
    expect_equal(chromPeaks(res), chromPeaks(xod_xgr)[are_within,])
    expect_true(hasAdjustedRtime(res))
    expect_true(all(adjustedRtime(res) >= 2700 & adjustedRtime(res) <= 2900))
    expect_true(!all(rtime(res, adjusted = FALSE) >= 2700 &
                     rtime(res, adjusted = FALSE) <= 2900))
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res, type = "Peak detection")) == 1)
    expect_true(length(processHistory(res, type = "Peak grouping")) == 1)
    expect_true(length(processHistory(res, type = "Retention time correction")) == 1)
    ## Filter such that we don't have any chromPeaks.
    res <- filterRt(xod_xgr, rt = c(4200, 4400), adjusted = TRUE)
    expect_true(hasAdjustedRtime(res))
    expect_true(all(adjustedRtime(res) >= 4200 & adjustedRtime(res) <= 4400))
    expect_true(all(rtime(res) >= 4200 & rtime(res) <= 4400))
    expect_true(!all(rtime(res, adjusted = FALSE) >= 4200 &
                     rtime(res, adjusted = FALSE) <= 4400))
    expect_true(!hasChromPeaks(res))
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res)) == 1)
    expect_true(length(processHistory(res, type = "Retention time correction")) == 1)
    ## No rt
    res <- filterRt(xod_xgr, rt = c(10, 20))
    expect_true(length(res) == 0)
    ## filter using raw rt
    res <- filterRt(xod_xgr, rt = c(2700, 2900), adjusted = FALSE)
    expect_true(!all(rtime(res) >= 2700 & rtime(res) <= 2900))
    expect_equal(hasChromPeaks(res), hasChromPeaks(xod_xg))
    expect_true(all(chromPeaks(res)[, "rt"] >= 2700 &
                    chromPeaks(res)[, "rt"] <= 2900))
    are_within <- chromPeaks(xod_xgr)[, "rt"] >= 2700 &
        chromPeaks(xod_xgr)[, "rt"] <= 2900
    expect_equal(chromPeaks(res), chromPeaks(xod_xgr)[are_within,])
    expect_true(hasAdjustedRtime(res))
    expect_true(!all(adjustedRtime(res) >= 2700 & adjustedRtime(res) <= 2900))
    expect_true(all(rtime(res, adjusted = FALSE) >= 2700 &
                    rtime(res, adjusted = FALSE) <= 2900))
    expect_true(!hasFeatures(res))

    ## xod_xgrg
    res <- filterRt(xod_xgrg, rt = c(2700, 2900))
    expect_true(all(rtime(res) >= 2700 & rtime(res) <= 2900))
    expect_equal(hasChromPeaks(res), hasChromPeaks(xod_xg))
    expect_true(all(chromPeaks(res)[, "rt"] >= 2700 &
                    chromPeaks(res)[, "rt"] <= 2900))
    are_within <- chromPeaks(xod_xgrg)[, "rt"] >= 2700 &
        chromPeaks(xod_xgr)[, "rt"] <= 2900
    expect_equal(chromPeaks(res), chromPeaks(xod_xgrg)[are_within,])
    expect_true(hasAdjustedRtime(res))
    expect_true(all(adjustedRtime(res) >= 2700 & adjustedRtime(res) <= 2900))
    expect_true(!all(rtime(res, adjusted = FALSE) >= 2700 &
                     rtime(res, adjusted = FALSE) <= 2900))
    expect_true(length(processHistory(res, type = "Peak detection")) == 1)
    expect_true(length(processHistory(res, type = "Peak grouping")) == 2)
    expect_true(length(processHistory(res, type = "Retention time correction")) == 1)
    expect_true(hasFeatures(res))
    expect_true(all(featureDefinitions(res)$rtmed >= 2700 &
                                           featureDefinitions(res)$rtmed <= 2900))
    ## Filter such that we don't have any chromPeaks.
    res <- filterRt(xod_xgrg, rt = c(4200, 4400), adjusted = TRUE)
    expect_true(hasAdjustedRtime(res))
    expect_true(all(adjustedRtime(res) >= 4200 & adjustedRtime(res) <= 4400))
    expect_true(all(rtime(res) >= 4200 & rtime(res) <= 4400))
    expect_true(!all(rtime(res, adjusted = FALSE) >= 4200 &
                     rtime(res, adjusted = FALSE) <= 4400))
    expect_true(!hasChromPeaks(res))
    expect_true(!hasFeatures(res))
    expect_true(length(processHistory(res)) == 1)
    expect_true(length(processHistory(res, type = "Retention time correction")) == 1)
    ## No rt
    res <- filterRt(xod_xgrg, rt = c(10, 20))
    expect_true(length(res) == 0)
    ## filter using raw rt
    res <- filterRt(xod_xgrg, rt = c(2700, 2900), adjusted = FALSE)
    expect_true(!all(rtime(res) >= 2700 & rtime(res) <= 2900))
    expect_equal(hasChromPeaks(res), hasChromPeaks(xod_xg))
    expect_true(all(chromPeaks(res)[, "rt"] >= 2700 &
                    chromPeaks(res)[, "rt"] <= 2900))
    are_within <- chromPeaks(xod_xgrg)[, "rt"] >= 2700 &
        chromPeaks(xod_xgrg)[, "rt"] <= 2900
    expect_equal(chromPeaks(res), chromPeaks(xod_xgrg)[are_within,])
    expect_true(hasAdjustedRtime(res))
    expect_true(!all(adjustedRtime(res) >= 2700 & adjustedRtime(res) <= 2900))
    expect_true(all(rtime(res, adjusted = FALSE) >= 2700 &
                    rtime(res, adjusted = FALSE) <= 2900))
    expect_true(hasFeatures(res))
    expect_true(all(featureDefinitions(res)$rtmed >= 2700 &
                                           featureDefinitions(res)$rtmed <= 2900))
})

## Test the coercion method.
test_that("as,XCMSnExp,xcmsSet works", {
    skip_on_os(os = "windows", arch = "i386")

    od_x <- faahko_xod
    res <- .XCMSnExp2xcmsSet(od_x)
    res <- as(od_x, "xcmsSet")
    ## Results should be the same as in xs.
    expect_equal(res@peaks, chromPeaks(od_x))
    expect_equal(res@.processHistory, processHistory(od_x))
    expect_equal(phenoData(res), pData(od_x))
    expect_equal(filepaths(res), fileNames(od_x))
    expect_equal(res@rt$raw, res@rt$corrected)
    expect_equal(res@rt$raw, rtime(od_x, bySample = TRUE))
    expect_equal(profMethod(res), "bin")
    expect_equal(profStep(res), 0.1)
    ## Can we further process this?
    sampclass(res) <- rep("K", 3)
    res <- group.density(res, minfrac = 0.5)
    ## res <- fillPeaks(res)

    ## Add groups.
    od_2 <- groupChromPeaks(
        od_x,
        param = PeakDensityParam(sampleGroups =rep(1, length(fileNames(od_x)))))
    expect_equal(unname(featureDefinitions(od_2)$peakidx), groupidx(res))

    ## rt correction
    od_3 <- adjustRtime(od_2, param = PeakGroupsParam(minFraction = 1,
                                                      span = 0.4))
    ## With groups.
    res <- as(od_2, "xcmsSet")
    ftDef <- featureDefinitions(od_2)[, !names(featureDefinitions(od_2))%in%"peakidx"]
    ftDef <- S4Vectors::as.matrix(ftDef)
    rownames(ftDef) <- NULL
    expect_equal(res@groups, ftDef)
    expect_equal(res@groupidx, unname(featureDefinitions(od_2)$peakidx))
    expect_equivalent(groupval(res), featureValues(od_2, value = "index"))

    ## With adjusted retention time.
    res_2 <- retcor.peakgroups(res, missing = 0, span = 0.4)
    res <- as(od_3, "xcmsSet")
    expect_true(any(unlist(res@rt$raw) != unlist(res@rt$corrected)))
    expect_equal(res@rt$corrected, res_2@rt$corrected)
    expect_equal(chromPeaks(od_3), peaks(res))
    expect_equal(peaks(res_2), peaks(res))

    ## Test with different binning methods:
    ## o binlin
    mfp <- MatchedFilterParam(impute = "lin", binSize = 3)
    od_2 <- od_x
    processParam(od_2@.processHistory[[1]]) <- mfp
    res <- as(od_2, "xcmsSet")
    expect_equal(profStep(res), 3)
    expect_equal(profMethod(res), "binlin")
    ## o binlinbase
    mfp <- MatchedFilterParam(impute = "linbase", binSize = 2)
    processParam(od_2@.processHistory[[1]]) <- mfp
    expect_warning(res <- as(od_2, "xcmsSet"))
    expect_equal(profStep(res), 2)
    expect_equal(profMethod(res), "binlinbase")

    # Tests for issue https://github.com/sneumann/xcms/issues/464
    res <- as(xod_xgrg, "xcmsSet")
    expect_type(groups(res), "double")
})

test_that("chromatogram,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    ## Have: od_x: OnDiskMSNnExp
    ## xod_x: XCMSnExp, with detected chromPeaks.
    ## xod_xg: with feature groups.
    ## xod_xgr: with adjusted retention times (no feature groups)
    ## xod_xgrg: adjusted rt and feature groups.

    ## XCMSnExp: TIC - can NOT compare with the reported TIC, as that is
    ## different! Eventually some background adjustment performed?
    ## BPC - CDF don't habe a BPC.
    rtr <- c(2600, 2700)
    tmp_obj <- filterFile(xod_x, file = c(1, 2))
    res <- chromatogram(tmp_obj, aggregationFun = "max", rt = rtr)
    expect_true(is(res, "XChromatograms"))
    chromPeaks(res)
    cpks <- chromPeaks(tmp_obj, rt = rtr, type = "apex_within")
    expect_equal(cpks, chromPeaks(res)[, 1:ncol(cpks)])
    expect_true(all(rtime(res[1, 1]) >= rtr[1]))
    expect_true(all(rtime(res[1, 1]) <= rtr[2]))
    expect_true(all(rtime(res[1, 2]) >= rtr[1]))
    expect_true(all(rtime(res[1, 2]) <= rtr[2]))
    tmp <- filterRt(filterFile(xod_x, file = 2), rt = rtr)
    expect_equal(rtime(tmp), rtime(res[1, 2]))
    ints <- spectrapply(tmp, function(z) return(max(intensity(z))))
    expect_equal(unlist(ints), intensity(res[1, 2]))
    ## Check names
    expect_equal(names(rtime(res[1, 1])), names(intensity(res[1, 1])))
    ## Assure we get the same with an OnDiskMSnExp and grouped XCMSnExp
    res_2 <- chromatogram(filterFile(od_x, file = c(1, 2)),
                          aggregationFun = "max", rt = rtr)
    expect_equal(pData(res), pData(res_2))
    expect_equal(lapply(res, rtime), lapply(res_2, rtime))
    expect_equal(lapply(res, intensity), lapply(res_2, intensity))
    res_3 <- chromatogram(filterFile(xod_xg, file = c(1, 2)),
                          aggregationFun = "max", rt = rtr)
    expect_equal(res, res_3)

    ## XCMSnExp: with mzrange and rtrange:
    mzr <- c(120, 130)
    tmp <- filterMz(xod_xg, mz = mzr)
    expect_warning(fts <- featureDefinitions(tmp))
    expect_true(nrow(fts) == 0)
    tmp <- filterRt(xod_xg, rt = rtr)
    featureDefinitions(tmp)
    ## no features in mz range
    res_2 <- chromatogram(xod_xg, rt = rtr, mz = mzr)
    expect_true(nrow(chromPeaks(res_2)) == 0)
    expect_true(nrow(featureDefinitions(res_2)) == 0)
    ##

    mzr <- matrix(c(335, 335, 344, 344), ncol = 2, byrow = TRUE)
    rtr <- matrix(c(2700, 2900, 2600, 2750), ncol = 2, byrow = TRUE)
    xchrs <- chromatogram(xod_chr, mz = mzr, rt = rtr)
    expect_equal(nrow(xchrs), 2)
    expect_equal(ncol(xchrs), 3)
    pks <- chromPeaks(xchrs)
    expect_true(all(pks[pks[, "column"] == 1, "sample"] == 1))
    expect_true(all(pks[pks[, "column"] == 2, "sample"] == 2))
    expect_true(all(pks[pks[, "column"] == 3, "sample"] == 3))
    expect_true(all(pks[pks[, "row"] == 1, "rt"] >= rtr[1, 1]))
    expect_true(all(pks[pks[, "row"] == 1, "rt"] <= rtr[1, 2]))
    expect_true(all(pks[pks[, "row"] == 2, "rt"] >= rtr[2, 1]))
    expect_true(all(pks[pks[, "row"] == 2, "rt"] <= rtr[2, 2]))
    expect_true(all(pks[pks[, "row"] == 1, "mz"] >= mzr[1, 1]))
    expect_true(all(pks[pks[, "row"] == 1, "mz"] <= mzr[1, 2]))
    expect_true(all(pks[pks[, "row"] == 2, "mz"] >= mzr[2, 1]))
    expect_true(all(pks[pks[, "row"] == 2, "mz"] <= mzr[2, 2]))

    ## Full rt range
    xchrs <- chromatogram(xod_chr, mz = mzr)
    pks <- chromPeaks(xchrs)
    expect_true(all(pks[pks[, "row"] == 1, "mz"] >= mzr[1, 1]))
    expect_true(all(pks[pks[, "row"] == 1, "mz"] <= mzr[1, 2]))
    expect_true(all(pks[pks[, "row"] == 2, "mz"] >= mzr[2, 1]))
    expect_true(all(pks[pks[, "row"] == 2, "mz"] <= mzr[2, 2]))

    expect_equal(chromPeaks(xchrs[1, 1]),
                 chromPeaks(filterFile(xod_chr, 1), mz = mzr[1, ],
                            type = "apex_within"))
    a <- chromPeaks(xchrs[1, 2])
    b <- chromPeaks(filterFile(xod_chr, 2), mz = mzr[1, ], type = "apex_within")
    expect_equal(a[, -11], b[, -11])
    a <- chromPeaks(xchrs[1, 3])
    b <- chromPeaks(filterFile(xod_chr, 3), mz = mzr[1, ], type = "apex_within")
    expect_equal(a[, -11], b[, -11])
    a <- chromPeaks(xchrs[2, 1])
    b <- chromPeaks(filterFile(xod_chr, 1), mz = mzr[2, ], type = "apex_within")
    expect_equal(a[, -11], b[, -11])
    a <- chromPeaks(xchrs[2, 2])
    b <- chromPeaks(filterFile(xod_chr, 2), mz = mzr[2, ], type = "apex_within")
    expect_equal(a[, -11], b[, -11])
    a <- chromPeaks(xchrs[2, 3])
    b <- chromPeaks(filterFile(xod_chr, 3), mz = mzr[2, ], type = "apex_within")
    expect_equal(a[, -11], b[, -11])

    rtr[1, 1] <- 2785
    xchrs <- chromatogram(xod_chr, mz = mzr, rt = rtr)
    expect_true(nrow(chromPeaks(xchrs[1, 1])) == 0)

    pks <- chromPeaks(xchrs)
    expect_true(!any(pks[, "row"] == 1 & pks[, "column"] == 1))

    ## With filled-in data
    mzr <- matrix(c(335, 335, 344, 344), ncol = 2, byrow = TRUE)
    rtr <- matrix(c(2700, 2900, 2600, 2750), ncol = 2, byrow = TRUE)
    ## group
    xod_tmp <- groupChromPeaks(
        xod_xgr, param = PeakDensityParam(sampleGroups = rep(1, 3),
                                          minFraction = 0.25))
    xod_tmpf <- fillChromPeaks(
        xod_tmp, param = FillChromPeaksParam(fixedRt = 30))
    xchrs <- chromatogram(xod_tmp, mz = mzr[2:1, ], rt = rtr[2:1, ], filled = TRUE)
    xchrsf <- chromatogram(xod_tmpf, mz = mzr[2:1, ], rt = rtr[2:1, ], filled = TRUE)
    expect_equal(nrow(chromPeaks(xchrs)), 4)
    expect_equal(unname(chromPeaks(xchrs)[, "sample"]), c(1, 2, 3, 2))
    expect_equal(unname(chromPeaks(xchrs)[, "row"]), c(1, 1, 1, 2))
    ## With filled-in peaks.
    expect_equal(nrow(chromPeaks(xchrsf)), 6)
    expect_equal(unname(chromPeaks(xchrsf)[, "sample"]), c(1, 2, 3, 1, 2, 3))
    expect_equal(chromPeakData(xchrsf)$is_filled, c(FALSE, FALSE, FALSE, TRUE,
                                                    FALSE, TRUE))
    expect_true(chromPeakData(xchrsf[2, 1])$is_filled)
    expect_false(chromPeakData(xchrsf[2, 2])$is_filled, 0)
    expect_true(chromPeakData(xchrsf[2, 3])$is_filled)
    expect_false(chromPeakData(xchrsf[1, 2])$is_filled)
    ## Check feature definitions.
    fts <- featureDefinitions(xchrs)
    ftsf <- featureDefinitions(xchrsf)
    expect_equal(fts$peakidx, list(c(1, 2, 3), 4))
    expect_equal(ftsf$peakidx, list(c(1, 2, 3), c(4, 5, 6)))
    xchrsf2 <- chromatogram(xod_tmpf, mz = mzr[2:1, ], rt = rtr[2:1, ])
    expect_equal(chromPeaks(xchrs), chromPeaks(xchrsf2))
    expect_equal(featureDefinitions(xchrs), featureDefinitions(xchrsf2))

    ## Test with single range.
    xchrs <- chromatogram(xod_tmp, mz = mzr[1, ], rt = rtr[1, ], filled = TRUE)
    xchrsf <- chromatogram(xod_tmpf, mz = mzr[1, ], rt = rtr[1, ], filled = TRUE)
    expect_equal(nrow(chromPeaks(xchrs)), 1)
    expect_equal(nrow(chromPeaks(xchrsf)), 3)
    expect_equal(chromPeakData(xchrsf)$is_filled, c(TRUE, FALSE, TRUE))
    expect_equal(unname(featureDefinitions(xchrsf)$peakidx[[1]]), c(1, 2, 3))
    xchrsf2 <- chromatogram(xod_tmpf, mz = mzr[1, ], rt = rtr[1, ])
    expect_equal(chromPeaks(xchrsf2), chromPeaks(xchrs))
    expect_equal(featureDefinitions(xchrsf2), featureDefinitions(xchrs))

    ##
    mzm <- rbind(305.1 + c(-0.01, 0.01), 496.2 + c(-0.01, 0.01))
    xchr <- chromatogram(xod_xgrg, mz = mzm)
    expect_equal(featureDefinitions(xchr)$row, c(1L, 1L, 1L, 2L, 2L))

    ## duplicated ranges.
    mzm <- rbind(mzm, mzm[1, ])
    xchr_2 <- chromatogram(xod_xgrg, mz = mzm)
    expect_equal(featureDefinitions(xchr_2)$row, c(1L, 1L, 1L, 2L, 2L, 3L, 3L, 3L))
    cpks <- chromPeaks(xchr_2)
    expect_equal(cpks[cpks[, "row"] == 1, "into"], cpks[cpks[, "row"] == 3, "into"])
    fts <- featureDefinitions(xchr_2)
    expect_true(all(fts$peakidx[[1]] != fts$peakidx[[6]]))
    expect_equal(cpks[fts$peakidx[[1]], "into"], cpks[fts$peakidx[[6]], "into"])
})

test_that("signal integration is correct", {
    skip_on_os(os = "windows", arch = "i386")

    ## Testing the signal integration of peaks.
    ## For centWave
    tmp <- xod_xgrg
    rtr <- chromPeaks(tmp)[1, c("rtmin", "rtmax")]
    mzr <- chromPeaks(tmp)[1, c("mzmin", "mzmax")]
    chr <- chromatogram(tmp, rt = rtr, mz = mzr)
    pkInt <- sum(intensity(chr[1, 1]) *
                 ((rtr[2] - rtr[1]) / (length(chr[1, 1]) - 1)))
    expect_equal(pkInt, unname(chromPeaks(tmp)[1, "into"]))

    tmp <- filterFile(xod_xgrg, file = 2, keepAdjustedRtime = FALSE)
    idxs <- sample(1:nrow(chromPeaks(tmp)), 5)
    ## Now, for i = 20, for 6 rt I got an NA. Should I remove these measurements?
    ## idxs <- 1:nrow(chromPeaks(tmp))
    for (i in idxs) {
        rtr <- chromPeaks(tmp)[i, c("rtmin", "rtmax")]
        mzr <- chromPeaks(tmp)[i, c("mzmin", "mzmax")]
        chr <- chromatogram(tmp, rt = rtr, mz = mzr)[1, 1]
        ints <- intensity(chr)
        pkI <- sum(ints, na.rm = TRUE) * ((rtr[2] - rtr[1]) / (length(ints) - 1))
        ## cat(" ", chromPeaks(tmp)[i, "into"], " - ", pkI, "\n")
        expect_equal(unname(pkI), unname(chromPeaks(tmp)[i, "into"]))
    }
    ## pkI2 <- .getPeakInt2(tmp, chromPeaks(tmp)[idxs, , drop = FALSE])
    ## expect_equal(unname(pkI2), unname(chromPeaks(tmp)[idxs, "into"]))

    ## Now for matchedfilter.
    tmp <- findChromPeaks(filterFile(od_x, 2), param = MatchedFilterParam())
    rtr <- chromPeaks(tmp)[1, c("rtmin", "rtmax")]
    mzr <- chromPeaks(tmp)[1, c("mzmin", "mzmax")]
    chr <- chromatogram(tmp, rt = rtr, mz = mzr)
    pkInt <- sum(intensity(chr[1, 1]) *
                 ((rtr[2] - rtr[1]) / (length(chr[1, 1]) - 1)))
    chromPeaks(tmp)[1, "into"]
    expect_equal(pkInt, unname(chromPeaks(tmp)[1, "into"]))
    idxs <- sample(1:nrow(chromPeaks(tmp)), 5)
    ## idxs <- 1:nrow(chromPeaks(tmp))
    for (i in idxs) {
        rtr <- chromPeaks(tmp)[i, c("rtmin", "rtmax")]
        mzr <- chromPeaks(tmp)[i, c("mzmin", "mzmax")]
        chr <- chromatogram(tmp, rt = rtr, mz = mzr)[1, 1]
        ints <- intensity(chr)
        pkI <- sum(ints, na.rm = TRUE) * ((rtr[2] - rtr[1]) / (length(ints) - 1))
        ## cat(" ", chromPeaks(tmp)[i, "into"], " - ", pkI, "\n")
        expect_equal(unname(pkI), unname(chromPeaks(tmp)[i, "into"]))
    }
    ## pkI2 <- .getPeakInt2(tmp, chromPeaks(tmp)[idxs, , drop = FALSE])
    ## expect_equal(unname(pkI2), unname(chromPeaks(tmp)[idxs, "into"]))

    ## ## matchedFilter with wide mz bins.
    ## ## For matchedFilter I will have to do this on the profile matrix!
    ## tmp <- findChromPeaks(filterFile(od_x, 2),
    ##                       param = MatchedFilterParam(binSize = 2))
    ## idxs <- 1:nrow(chromPeaks(tmp))
    ## pkI2 <- .getPeakInt2(tmp, chromPeaks(tmp)[idxs, , drop = FALSE])
    ## expect_equal(unname(pkI2), unname(chromPeaks(tmp)[idxs, "into"]))
})

test_that("featureValues,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    fdp <- PeakDensityParam(sampleGroups = rep(1, 3))
    od_x <- groupChromPeaks(faahko_xod, param = fdp)
    fvs <- featureValues(od_x, value = "into")
    expect_equal(rownames(fvs), rownames(featureDefinitions(od_x)))

    ## Use the internal function
    res <- .feature_values(chromPeaks(od_x), featureDefinitions(od_x),
                           value = "into", method = "medret",
                           intensity = "into",
                           colnames = basename(fileNames(od_x)))
    expect_equal(featureValues(od_x, value = "into"), res)
    res <- .feature_values(chromPeaks(od_x), featureDefinitions(od_x),
                           value = "into", method = "sum",
                           intensity = "into",
                           colnames = basename(fileNames(od_x)))
    expect_equal(featureValues(od_x, value = "into", method = "sum"), res)


    fsum <- featureSummary(xod_xg)
    fv <- featureValues(xod_xg, method = "maxint", value = "into")
    ## For feature 3 we have 2 peaks in sample 3
    idx <- unlist(featureDefinitions(xod_xg)[3, "peakidx"])
    pks <- chromPeaks(xod_xg)[idx, ]
    expect_equal(max(pks[pks[, "sample"] == 3, "into"]), fv[3, 3])
    ## For feature 37 we have 2 peaks per sample
    idx <- unlist(featureDefinitions(xod_xg)[37, "peakidx"])
    pks <- chromPeaks(xod_xg)[idx, ]
    expect_equal(max(pks[pks[, "sample"] == 1, "into"]), fv[37, 1])
    expect_equal(max(pks[pks[, "sample"] == 2, "into"]), fv[37, 2])
    expect_equal(max(pks[pks[, "sample"] == 3, "into"]), fv[37, 3])

    ## method sum
    fv <- featureValues(xod_xg, method = "sum", value = "into")
    ## For feature 3 we have 2 peaks in sample 3
    idx <- unlist(featureDefinitions(xod_xg)[3, "peakidx"])
    pks <- chromPeaks(xod_xg)[idx, ]
    expect_equal(sum(pks[pks[, "sample"] == 3, "into"]), fv[3, 3])
    ## For feature 37 we have 2 peaks per sample
    idx <- unlist(featureDefinitions(xod_xg)[37, "peakidx"])
    pks <- chromPeaks(xod_xg)[idx, ]
    expect_equal(sum(pks[pks[, "sample"] == 1, "into"]), fv[37, 1])
    expect_equal(sum(pks[pks[, "sample"] == 2, "into"]), fv[37, 2])
    expect_equal(sum(pks[pks[, "sample"] == 3, "into"]), fv[37, 3])

    ## missing
    na_num <- sum(is.na(featureValues(od_x, value = "into")))
    res <- featureValues(od_x, value = "into", missing = 123)
    expect_equal(sum(res == 123), na_num)
    res <- featureValues(od_x, value = "into", missing = "rowmin_half")
    res_na <- featureValues(od_x, value = "into")
    is_na <- is.na(rowMeans(res_na))
    for (i in which(is_na)) {
        are_na <- is.na(res_na[i, ])
        expect_true(all(res[i, are_na] == min(res_na[i, ], na.rm = TRUE) / 2))
    }
    ## Check errors
    expect_error(featureValues(od_x, value = "into", missing = "b"))
    expect_error(featureValues(od_x, value = "into", missing = TRUE))

    ## feature values with MS level > 1
    expect_error(featureValues(xod_xg, msLevel = 2), "No feature definitions")
    ## Fake feature definitions for MS level 2
    cwp <- CentWaveParam(noise = 10000, snthresh = 40,
                         prefilter = c(3, 10000))
    tmp <- xod_xg
    fd <- new("MsFeatureData")
    fd@.xData <- .copy_env(tmp@msFeatureData)
    chromPeakData(fd)$ms_level <- 2L
    fd$featureDefinitions$ms_level <- 2L
    lockEnvironment(fd, bindings = TRUE)
    tmp@msFeatureData <- fd
    expect_true(hasChromPeaks(tmp, msLevel = 2L))
    expect_true(hasFeatures(tmp, msLevel = 2L))
    expect_equal(featureValues(tmp, msLevel = 2L), featureValues(xod_xg))

    tmp <- findChromPeaks(tmp, add = TRUE, param = cwp)
    expect_equal(unname(chromPeaks(tmp, msLevel = 1L)[, "into"]),
                 unname(chromPeaks(tmp, msLevel = 2L)[, "into"]))
    ## correspondence
    pdp <- PeakDensityParam(sampleGroups = rep(1, 3))
    tmp <- groupChromPeaks(tmp, param = pdp, msLevel = 1L)
    tmp <- groupChromPeaks(tmp, param = pdp, msLevel = 2L, add = TRUE)
    expect_true(hasFeatures(tmp, msLevel = 1L))
    expect_true(hasFeatures(tmp, msLevel = 2L))

    all <- featureValues(tmp)
    ms1 <- featureValues(tmp, msLevel = 1L)
    ms2 <- featureValues(tmp, msLevel = 2L)
    expect_equal(all, rbind(ms1, ms2))
    rownames(ms1) <- rownames(ms2) <- NULL
    expect_equal(ms1, ms2)
})

test_that("peakIndex,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    pkI <- .peakIndex(xod_xg)
    expect_equal(names(pkI), rownames(featureDefinitions(xod_xg)))
    expect_equal(unname(pkI), featureDefinitions(xod_xg)$peakidx)
})

test_that("MS1 MS2 data works on XCMSnExp", {
    skip_on_os(os = "windows", arch = "i386")

    ## That's to test stuff for issues #208 and related (also issue #214).
    ## Set every other spectra in the original files to MS2.

    ## OnDiskMSnExp: od_x
    od_mod <- faahko_od
    fDat <- fData(od_mod)
    idx_1 <- which(fDat$fileIdx == 1)
    idx_1 <- idx_1[rep(c(TRUE, FALSE), length.out = length(idx_1))]
    idx_1 <- sort(unique(c(idx_1, tail(which(fDat$fileIdx == 1)))))
    fDat[idx_1, "msLevel"] <- 2
    idx_1 <- which(fDat$fileIdx == 2)
    idx_1 <- idx_1[rep(c(TRUE, FALSE), length.out = length(idx_1))]
    idx_1 <- sort(unique(c(idx_1, tail(which(fDat$fileIdx == 2)))))
    fDat[idx_1, "msLevel"] <- 2
    idx_1 <- which(fDat$fileIdx == 3)
    idx_1 <- idx_1[rep(c(TRUE, FALSE), length.out = length(idx_1))]
    idx_1 <- sort(unique(c(idx_1, tail(which(fDat$fileIdx == 3)))))
    fDat[idx_1, "msLevel"] <- 2
    fData(od_mod) <- fDat

    res <- adjustRtime(od_mod, param = ObiwarpParam())
    res_2 <- adjustRtime(filterMsLevel(od_mod, msLevel = 1),
                         param = ObiwarpParam())
    ## Expect:
    ## - adjusted rtime of any other spectrum is identical to the
    ##   ones performed on the data sub set.
    expect_equal(res[msLevel(od_mod) == 1], res_2)
    ## - difference between raw and adjusted rtime at the end and beginning are
    ##   constant.
    res_by_file <- split(res, fromFile(od_mod))
    raw_by_file <- split(rtime(od_mod), fromFile(od_mod))
    expect_true(raw_by_file[[1]][1] != res_by_file[[1]][1])
    expect_true(raw_by_file[[2]][1] != res_by_file[[2]][1])
    expect_true(raw_by_file[[3]][1] != res_by_file[[3]][1])
    diffs <- tail(res_by_file[[1]]) - tail(raw_by_file[[1]])
    expect_equal(unname(diff(diffs)), rep(0, 5))
    diffs <- tail(res_by_file[[2]]) - tail(raw_by_file[[2]])
    expect_equal(unname(diff(diffs)), rep(0, 5))
    diffs <- tail(res_by_file[[3]]) - tail(raw_by_file[[3]])
    expect_equal(unname(diff(diffs)), rep(0, 5))
    ## - adjusted rtime of the MS level 2 are in interpolated between rts of
    ##   MS level 2.
    ## rtime for 3 should be interpolated between 2 and 4:
    adj_fun <- approxfun(x = raw_by_file[[1]][c(2, 4)],
                         y = res_by_file[[1]][c(2, 4)])
    expect_equal(adj_fun(raw_by_file[[1]][3]), unname(res_by_file[[1]][3]))
    adj_fun <- approxfun(x = raw_by_file[[2]][c(2, 4)],
                         y = res_by_file[[2]][c(2, 4)])
    expect_equal(adj_fun(raw_by_file[[2]][3]), unname(res_by_file[[2]][3]))
    adj_fun <- approxfun(x = raw_by_file[[3]][c(2, 4)],
                         y = res_by_file[[3]][c(2, 4)])
    expect_equal(adj_fun(raw_by_file[[3]][3]), unname(res_by_file[[3]][3]))

    ## XCMSnExp: xod_x, repeat the stuff above
    xod_mod <- xod_x
    fDat <- fData(xod_mod)
    idx_1 <- which(fDat$fileIdx == 1)
    idx_1 <- idx_1[rep(c(TRUE, FALSE), length.out = length(idx_1))]
    idx_1 <- sort(unique(c(idx_1, tail(which(fDat$fileIdx == 1)))))
    fDat[idx_1, "msLevel"] <- 2
    idx_1 <- which(fDat$fileIdx == 2)
    idx_1 <- idx_1[rep(c(TRUE, FALSE), length.out = length(idx_1))]
    idx_1 <- sort(unique(c(idx_1, tail(which(fDat$fileIdx == 2)))))
    fDat[idx_1, "msLevel"] <- 2
    idx_1 <- which(fDat$fileIdx == 3)
    idx_1 <- idx_1[rep(c(TRUE, FALSE), length.out = length(idx_1))]
    idx_1 <- sort(unique(c(idx_1, tail(which(fDat$fileIdx == 3)))))
    fDat[idx_1, "msLevel"] <- 2
    fData(xod_mod) <- fDat

    res <- adjustRtime(xod_mod, param = ObiwarpParam())
    suppressWarnings(res_2 <- adjustRtime(filterMsLevel(xod_mod, msLevel = 1),
                                          param = ObiwarpParam()))
    ## Expect:
    ## - adjusted rtime of any other spectrum is identical to the
    ##   ones performed on the data sub set.
    expect_equal(rtime(res, adjusted = TRUE)[msLevel(res) == 1],
                 rtime(res_2, adjusted = TRUE))
    ## - difference between raw and adjusted rtime at the end and beginning are
    ##   constant.
    res_by_file <- rtime(res, bySample = TRUE)
    raw_by_file <- rtime(xod_mod, bySample = TRUE)
    expect_true(raw_by_file[[1]][1] != res_by_file[[1]][1])
    expect_true(raw_by_file[[2]][1] != res_by_file[[2]][1])
    expect_true(raw_by_file[[3]][1] != res_by_file[[3]][1])
    diffs <- tail(res_by_file[[1]]) - tail(raw_by_file[[1]])
    expect_equal(unname(diff(diffs)), rep(0, 5))
    diffs <- tail(res_by_file[[2]]) - tail(raw_by_file[[2]])
    expect_equal(unname(diff(diffs)), rep(0, 5))
    diffs <- tail(res_by_file[[3]]) - tail(raw_by_file[[3]])
    expect_equal(unname(diff(diffs)), rep(0, 5))
    ## - adjusted rtime of the MS level 2 are in interpolated between rts of
    ##   MS level 2.
    ## rtime for 3 should be interpolated between 2 and 4:
    adj_fun <- approxfun(x = raw_by_file[[1]][c(2, 4)],
                         y = res_by_file[[1]][c(2, 4)])
    expect_equal(adj_fun(raw_by_file[[1]][3]), unname(res_by_file[[1]][3]))
    adj_fun <- approxfun(x = raw_by_file[[2]][c(2, 4)],
                         y = res_by_file[[2]][c(2, 4)])
    expect_equal(adj_fun(raw_by_file[[2]][3]), unname(res_by_file[[2]][3]))
    adj_fun <- approxfun(x = raw_by_file[[3]][c(2, 4)],
                         y = res_by_file[[3]][c(2, 4)])
    expect_equal(adj_fun(raw_by_file[[3]][3]), unname(res_by_file[[3]][3]))
})

test_that("extractMsData,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    ## All the data
    ## all <- extractMsData(od_x)
    ## expect_equal(length(all), length(fileNames(od_x)))
    ## rts <- split(rtime(od_x), f = fromFile(od_x))
    ## expect_equal(lengths(rts), unlist(lapply(all, nrow)))
    ## On an OnDiskMSnExp with only mz
    mzr <- c(300, 302)
    res <- extractMsData(filterFile(od_x, 1:2), mz = mzr)
    expect_equal(length(res), 2)
    expect_true(all(res[[1]][, "mz"] >= mzr[1] & res[[1]][, "mz"] <= mzr[2]))
    expect_true(all(res[[2]][, "mz"] >= mzr[1] & res[[2]][, "mz"] <= mzr[2]))
    ## On an OnDiskMSnExp with only rt
    rtr <- c(2500, 2800)
    res <- extractMsData(filterFile(od_x, 1:2), rt = rtr)
    expect_true(all(res[[1]][, "rt"] >= rtr[1] & res[[1]][, "rt"] <= rtr[2]))
    expect_true(all(res[[2]][, "rt"] >= rtr[1] & res[[2]][, "rt"] <= rtr[2]))
    ## LLLLL TODO Continue here, and then add example to the extractMsData
    ## help page.
    ## On an OnDiskMSnExp with mz and rt
    res <- extractMsData(filterFile(od_x, 1:2), rt = rtr, mz = mzr)
    expect_true(all(res[[1]][, "rt"] >= rtr[1] & res[[1]][, "rt"] <= rtr[2]))
    expect_true(all(res[[2]][, "rt"] >= rtr[1] & res[[2]][, "rt"] <= rtr[2]))
    expect_true(all(res[[1]][, "mz"] >= mzr[1] & res[[1]][, "mz"] <= mzr[2]))
    expect_true(all(res[[2]][, "mz"] >= mzr[1] & res[[2]][, "mz"] <= mzr[2]))

    ## XCMSnExp, xod_xgr
    ## with adjusted retention times
    tmp <- filterFile(xod_xgr, 1:2, keepAdjustedRtime = TRUE)
    expect_true(hasAdjustedRtime(tmp))
    res <- extractMsData(tmp, rt = rtr, mz = mzr)
    mzs <- mz(tmp)
    rts <- rtime(tmp, bySample = TRUE, adjusted = TRUE)
    expect_true(all(res[[1]][, "rt"] >= rtr[1] & res[[1]][, "rt"] <= rtr[2]))
    expect_true(all(res[[2]][, "rt"] >= rtr[1] & res[[2]][, "rt"] <= rtr[2]))
    expect_true(all(res[[1]][, "mz"] >= mzr[1] & res[[1]][, "mz"] <= mzr[2]))
    expect_true(all(res[[2]][, "mz"] >= mzr[1] & res[[2]][, "mz"] <= mzr[2]))
    tmp_rts <- rts[[1]]
    tmp_rts <- tmp_rts[tmp_rts >= rtr[1] & tmp_rts <= rtr[2]]
    res_rts <- res[[1]][, 1]
    expect_equal(unique(res_rts), unname(tmp_rts))
    tmp_rts <- rts[[2]]
    tmp_rts <- tmp_rts[tmp_rts >= rtr[1] & tmp_rts <= rtr[2]]
    res_rts <- res[[2]][, 1]
    expect_equal(unique(res_rts), unname(tmp_rts))

    ## without adjusted retention times
    res_2 <- extractMsData(filterFile(xod_xgr, 1:2), adjustedRtime = FALSE,
                           rt = rtr, mz = mzr)
    expect_true(all(res_2[[1]][, "rt"] >= rtr[1] & res_2[[1]][, "rt"] <= rtr[2]))
    expect_true(all(res_2[[2]][, "rt"] >= rtr[1] & res_2[[2]][, "rt"] <= rtr[2]))
    expect_true(all(res_2[[1]][, "mz"] >= mzr[1] & res_2[[1]][, "mz"] <= mzr[2]))
    expect_true(all(res_2[[2]][, "mz"] >= mzr[1] & res_2[[2]][, "mz"] <= mzr[2]))
    ## expect_true(nrow(res[[1]]) != nrow(res_2[[1]]))
    ## expect_true(nrow(res[[2]]) != nrow(res_2[[2]]))

    ## rt and mzr out of range.
    res <- extractMsData(od_x, rt = c(6000, 6300), mz = c(0, 3))
    expect_equal(length(res), 3)
    expect_true(all(unlist(lapply(res, FUN = nrow)) == 0))
    res <- extractMsData(od_x, rt = c(6000, 6300))
    expect_equal(length(res), 3)
    expect_true(all(unlist(lapply(res, FUN = nrow)) == 0))
    ## res <- extractMsData(od_x, mz = c(0, 3))
    ## expect_equal(length(res), 3)
    ## expect_true(all(unlist(lapply(res, FUN = nrow)) == 0))
})

test_that("spectrapply and spectra,XCMSnExp work", {
    skip_on_os(os = "windows", arch = "i386")

    ## With adjusted retention time
    tmp <- filterFile(xod_r, file = 3, keepAdjustedRtime = TRUE)
    expect_true(hasAdjustedRtime(tmp))
    expect_true(is.character(all.equal(rtime(tmp, adjusted = FALSE),
                                       rtime(tmp, adjusted = TRUE))))
    sps <- spectra(tmp)
    expect_equal(unlist(lapply(sps, rtime)), rtime(tmp, adjusted = TRUE))
    expect_equal(unlist(spectrapply(tmp, FUN = function(x) rtime(x))),
                 rtime(tmp, adjusted = TRUE))
    sps_2 <- spectra(tmp, adjusted = FALSE)
    expect_equal(unlist(lapply(sps_2, rtime)), rtime(tmp, adjusted = FALSE))
    ## without adjusted retention time
    tmp <- filterFile(xod_x, file = 3)
    expect_true(!hasAdjustedRtime(tmp))
    sps <- spectra(tmp)
    expect_equal(unlist(lapply(sps, rtime)), rtime(tmp))
    expect_equal(unlist(lapply(sps, mz)), unlist(mz(tmp)))
    expect_equal(unlist(spectrapply(tmp, FUN = function(x) rtime(x))),
                 rtime(tmp))
})

test_that("processHistory,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    type_peak_det <- .PROCSTEP.PEAK.DETECTION
    type_align <- .PROCSTEP.RTIME.CORRECTION
    type_corr <- .PROCSTEP.PEAK.GROUPING
    expect_true(length(processHistory(xod_x, type = type_corr)) == 0)
    ph <- processHistory(xod_x, type = type_peak_det)
    expect_equal(as.character(class(processParam(ph[[1]]))), "CentWaveParam")

    ph <- processHistory(xod_xgrg)
    expect_true(length(ph) == 4)
    ph <- processHistory(xod_xgrg, msLevel = 1L)
    expect_true(length(ph) == 4)
    expect_equal(as.character(class(processParam(ph[[1]]))), "CentWaveParam")
})

test_that("split,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    xod <- as(faahko_od, "XCMSnExp")
    tmp <- split(xod_xgr, f = fromFile(xod_xgr))
    ## Split by file.
    expect_equal(spectra(tmp[[1]][7:13]), spectra(filterFile(xod, file = 1)[7:13]))
    expect_equal(spectra(tmp[[3]][7:13]), spectra(filterFile(xod, file = 3)[7:13]))
    ## Split by acquisitionNum.
    tmp <- filterRt(xod_xgr, rt = c(2600, 2700))
    expect_true(hasChromPeaks(tmp))
    expect_true(hasAdjustedRtime(tmp))
    tmp_2 <- split(tmp, f = acquisitionNum(tmp))
    expect_true(all(acquisitionNum(tmp_2[[1]]) == acquisitionNum(tmp)[1]))
    expect_true(all(acquisitionNum(tmp_2[[14]]) == acquisitionNum(tmp)[14]))
    ## with keepAdjustedRtime
    tmp <- split(xod_xgr, f = fromFile(xod_xgr), keepAdjustedRtime = TRUE)
    tmp_1 <- filterFile(xod_xgr, file = 1, keepAdjustedRtime = TRUE)
    expect_true(hasAdjustedRtime(tmp_1))
    expect_equal(rtime(tmp[[1]]), rtime(tmp_1))
    tmp_2 <- filterFile(xod_xgr, file = 2, keepAdjustedRtime = TRUE)
    expect_true(hasAdjustedRtime(tmp_2))
    expect_equal(rtime(tmp[[2]]), rtime(tmp_2))
    tmp_3 <- filterFile(xod_xgr, file = 3, keepAdjustedRtime = TRUE)
    expect_true(hasAdjustedRtime(tmp_3))
    expect_equal(rtime(tmp[[3]]), rtime(tmp_3))
    expect_true(!all(rtime(tmp[[3]]) == rtime(tmp[[3]], adjusted = FALSE)))
})

test_that("groupnames,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    gn <- groupnames(xod_xgrg)
    expect_error(groupnames(xod_x))
})

test_that("calibrate,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    do_plot <- FALSE
    tmp <- filterFile(faahko_xod, file = 1)

    ## Check shift calibration.
    mzs <- chromPeaks(tmp)[c(3, 6, 7, 13, 17, 32, 45)]
    mzs_shift <- mzs + 0.0001
    prm <- CalibrantMassParam(mz = mzs_shift, method = "shift")
    res <- calibrate(tmp, prm)
    expect_true(isCalibrated(res))
    expect_equal(chromPeaks(tmp)[, -1], chromPeaks(res)[, -1])
    expect_equal(chromPeaks(tmp)[, 1] + 0.0001, chromPeaks(res)[, 1])
    diffs <- chromPeaks(res)[, "mz"] - chromPeaks(tmp)[, "mz"]
    X <- chromPeaks(res)[, "mz"]
    if (do_plot)
        plot(X, diffs)

    ## Check linear.
    mzs_lin <- mzs + 0.00005 + mzs * 0.000002
    max_dif <- max(mzs_lin - mzs)
    prm <- CalibrantMassParam(mz = mzs_lin, method = "linear", mzabs = max_dif)
    res <- calibrate(tmp, prm)
    expect_true(isCalibrated(res))
    diffs <- chromPeaks(res)[, "mz"] - chromPeaks(tmp)[, "mz"]
    X <- chromPeaks(res)[, "mz"]
    if (do_plot)
        plot(X, diffs)
    res_lm <- lm(diffs ~ X)
    expect_equal(unname(coefficients(res_lm)[1]), 0.00005, tolerance = 1e-5)
    expect_equal(unname(coefficients(res_lm)[2]), 0.000002, tolerance = 1e-5)

    ## edgeshift
    prm <- CalibrantMassParam(mz = mzs_lin, method = "edgeshift",
                              mzabs = max_dif)
    res <- calibrate(tmp, prm)
    expect_true(isCalibrated(res))
    diffs <- chromPeaks(res)[, "mz"] - chromPeaks(tmp)[, "mz"]
    X <- chromPeaks(res)[, "mz"]
    if (do_plot)
        plot(X, diffs)
    mz_sorted <- chromPeaks(tmp)[, "mz"]
    ## Diff has to be constant before and after the linear range.
    lower_idx <- which(chromPeaks(tmp)[, "mz"] < min(mzs))
    expect_true(all(diffs[lower_idx] == diffs[lower_idx][1]))
    upper_idx <- which(chromPeaks(tmp)[, "mz"] > max(mzs))
    expect_true(all(diffs[upper_idx] == diffs[upper_idx][1]))
    lin_idx <- 1:length(diffs)
    lin_idx <- lin_idx[!(lin_idx %in% lower_idx)]
    lin_idx <- lin_idx[!(lin_idx %in% upper_idx)]
    lin_mod <- lm(diffs[lin_idx] ~ X[lin_idx])
    expect_equal(unname(coefficients(lin_mod)[1]), 0.00005, tolerance = 1e-5)
    expect_equal(unname(coefficients(lin_mod)[2]), 0.000002, tolerance = 1e-5)

    ## Test with a single mass, fall back to shift.
    prm <- CalibrantMassParam(mz = mzs_lin[1], method = "edgeshift",
                              mzabs = max_dif)
    expect_warning(res <- calibrate(tmp, prm))
    diffs <- chromPeaks(res)[, "mz"] - chromPeaks(tmp)[, "mz"]
    min_diff <- min(abs(chromPeaks(tmp)[, "mz"] - mzs_lin[1]))
    expect_equal(unname(diffs), rep(min_diff, length(diffs)))

    ## Check errors.
    expect_error(calibrate(tmp, 4))
    expect_error(calibrate(tmp, CalibrantMassParam(mz = list(mzs, mzs))))
})

test_that("adjustRtime,peakGroups works", {
    skip_on_os(os = "windows", arch = "i386")

    xod <- faahko_xod
    xodg <- groupChromPeaks(
        xod, param = PeakDensityParam(sampleGroups = rep(1, 3)))
    pks <- chromPeaks(xodg)
    expect_true(length(processHistory(xodg,
                                      type = .PROCSTEP.PEAK.DETECTION)) == 1)
    expect_true(length(processHistory(xodg,
                                      type = .PROCSTEP.PEAK.GROUPING)) == 1)
    p <- PeakGroupsParam(minFraction = 1, span = 0.3)
    xodr <- adjustRtime(xodg, param = p)
    ## Check that we've got process histories.
    expect_true(validObject(xodr))
    expect_true(hasChromPeaks(xodr))
    expect_true(!hasFeatures(xodr))
    ## But we would like to keep the related process history step:
    expect_true(hasAdjustedRtime(xodr))
    expect_true(hasFeatures(xodg))
    ## We want to keep the process history step of the feature alignment!
    expect_true(length(processHistory(xodr,
                                      type = .PROCSTEP.PEAK.GROUPING)) == 1)
    expect_true(length(processHistory(xodr,
                                      type = .PROCSTEP.RTIME.CORRECTION)) == 1)
    ## Different from original:
    expect_true(sum(chromPeaks(xod)[, "rt"] != chromPeaks(xodr)[, "rt"]) > 200)
    expect_true(sum(chromPeaks(xod)[, "rtmin"] != chromPeaks(xodr)[, "rtmin"]) > 200)
    expect_true(sum(chromPeaks(xod)[, "rtmax"] != chromPeaks(xodr)[, "rtmax"]) > 200)
    ## Check that we get the same by supplying the peakGroupsMatrix.
    pgm <- adjustRtimePeakGroups(xodg, param = p)
    p_2 <- p
    minFraction(p_2) <- 0.5
    extraPeaks(p_2) <- 20
    peakGroupsMatrix(p_2) <- pgm
    xodr_2 <- adjustRtime(xodg, param = p_2)
    expect_equal(adjustedRtime(xodr), adjustedRtime(xodr_2))
    expect_equal(chromPeaks(xodr), chromPeaks(xodr_2))
    p_got <- processParam(
        processHistory(xodr, type = .PROCSTEP.RTIME.CORRECTION)[[1]])
    peakGroupsMatrix(p_got) <- matrix(ncol = 0, nrow = 0)
    expect_equal(p_got, p)
    expect_equal(processParam(
        processHistory(xodr_2, type = .PROCSTEP.RTIME.CORRECTION)[[1]]),
        p_2)
    ## Doing an additional grouping
    xodrg <- groupChromPeaks(xodr, param = PeakDensityParam(sampleGroups =
                                                                rep(1, 3)))
    expect_true(length(processHistory(xodrg,
                                      type = .PROCSTEP.PEAK.GROUPING)) == 2)
    expect_true(hasAdjustedRtime(xodrg))
    expect_true(hasFeatures(xodrg))

    ## Mod settings:
    xodr <- adjustRtime(xodg, param = PeakGroupsParam(minFraction = 1,
                                                      span = 1))
    xodr <- adjustRtime(xodg, param = PeakGroupsParam(minFraction = 1,
                                                      span = 1,
                                                      smooth = "linear"))
    xodr <- adjustRtime(xodg, param = PeakGroupsParam(minFraction = 1,
                                                      span = 1,
                                                      family = "symmetric"))
    ## Dropping results.
    tmp <- dropAdjustedRtime(xodr)
    expect_equal(tmp, xod)

    ## With subset.
    res_sub <- adjustRtime(
        xodg, param = PeakGroupsParam(subset = c(1, 3),
                                      subsetAdjust = "previous"))
    expect_true(all(rtime(res_sub, bySample = TRUE)[[1]] !=
                    rtime(xodg, bySample = TRUE)[[1]]))
    expect_true(all(rtime(res_sub, bySample = TRUE)[[2]] !=
                    rtime(xodg, bySample = TRUE)[[2]]))
    expect_true(all(rtime(res_sub, bySample = TRUE)[[3]] !=
                    rtime(xodg, bySample = TRUE)[[3]]))
    expect_equal(unname(rtime(res_sub, bySample = TRUE)[[1]]),
                 unname(rtime(res_sub, bySample = TRUE)[[2]]))
    expect_equal(rtime(res_sub, bySample = TRUE)[[2]],
                 .applyRtAdjustment(rtime(xodg, bySample = TRUE)[[2]],
                                           rtime(xodg, bySample = TRUE)[[1]],
                                           rtime(res_sub, bySample = TRUE)[[1]]))
    res_sub <- adjustRtime(
        xodg, param = PeakGroupsParam(subset = c(1, 3),
                                      subsetAdjust = "average"))
    expect_true(all(rtime(res_sub, bySample = TRUE)[[1]] !=
                    rtime(xodg, bySample = TRUE)[[1]]))
    expect_true(all(rtime(res_sub, bySample = TRUE)[[2]] !=
                    rtime(xodg, bySample = TRUE)[[2]]))
    expect_true(all(rtime(res_sub, bySample = TRUE)[[3]] !=
                    rtime(xodg, bySample = TRUE)[[3]]))
    expect_true(any(rtime(res_sub, bySample = TRUE)[[1]] !=
                    rtime(res_sub, bySample = TRUE)[[2]]))
    tmp <- adjustRtime(xodg, param = PeakGroupsParam())

    ## With subsetAdjust = "average" and the left-out being at the end.
    res_sub <- adjustRtime(
        xodg, param = PeakGroupsParam(subset = 1:2, subsetAdjust = "average"))
    res_2 <- adjustRtime(
        xodg, param = PeakGroupsParam(subset = 1:2, subsetAdjust = "previous"))
    expect_equal(rtime(res_sub), rtime(res_2))
})

test_that("findChromPeaks,MSWParam works", {
    skip_on_os(os = "windows", arch = "i386")

    od <- microtofq_od
    ## Restrict to first spectrum
    od1 <- od[1]
    sp1 <- od[[1]]
    res_1 <- do_findPeaks_MSW(mz = mz(sp1), int = intensity(sp1))
    mp <- MSWParam()
    expect_error(findChromPeaks(od1, param = mp, msLevel = 2))
    res_2 <- findChromPeaks(od1, param = mp)
    pks <- chromPeaks(res_2)
    rownames(pks) <- NULL
    expect_equal(res_1, pks[, colnames(res_1), drop = FALSE])
    ## Changing settings.
    snthresh(mp) <- 1
    nearbyPeak(mp) <- FALSE
    res_1 <- do_findPeaks_MSW(mz = mz(sp1), int = intensity(sp1),
                              snthresh = 1, nearbyPeak = FALSE)
    res_2 <- findChromPeaks(od1, param = mp, return.type = "list")
    expect_equal(res_1, res_2[[1]][, colnames(res_1)])
    peakThr(mp) <- 200
    res_1 <- do_findPeaks_MSW(mz = mz(sp1), int = intensity(sp1),
                              snthresh = 1, nearbyPeak = FALSE,
                              peakThr = 200)
    res_2 <- findChromPeaks(od1, param = mp, return.type = "list")
    expect_equal(res_1, res_2[[1]][, colnames(res_1)])
    addParams(mp) <- list(forder = 2)
    res_3 <- do_findPeaks_MSW(mz = mz(sp1), int = intensity(sp1),
                              snthresh = 1, nearbyPeak = FALSE,
                              peakThr = 200, forder = 2)
    res_4 <- findChromPeaks(od1, param = mp, return.type = "list")
    expect_equal(res_3, res_4[[1]][, colnames(res_3)])
    addParams(mp) <- list(forder = 2, dorder = 1)
    res_3 <- do_findPeaks_MSW(mz = mz(sp1), int = intensity(sp1),
                              snthresh = 1, nearbyPeak = FALSE,
                              peakThr = 200, forder = 2, dorder = 1)
    res_4 <- findChromPeaks(od1, param = mp, return.type = "list")
    expect_equal(res_3, res_4[[1]][, colnames(res_3)])
    ## Compare old vs new:
    pks <- chromPeaks(fticr_xod)
    rownames(pks) <- NULL
})

test_that("featureValues,XCMSnExp works as with groupval", {
    skip_on_os(os = "windows", arch = "i386")

    fval <- featureValues(xod_xg)
    expect_true(nrow(fval) == nrow(featureDefinitions(xod_xg)))
    expect_true(ncol(fval) == length(fileNames(xod_xg)))
    expect_true(is.numeric(fval))

    fval <- featureValues(xod_xg, value = "index")
    ## Checking errors
    expect_error(featureValues(od_x, value = "bla"))
})

test_that("groupChromPeaks,XCMSnExp,PeakDensityParam works", {
    skip_on_os(os = "windows", arch = "i386")

    ## Check error if no features were found. issue #273
    pdp <- PeakDensityParam(sampleGroups = rep(1, 3), minSamples = 30)
    expect_warning(groupChromPeaks(faahko_xod, param = pdp), "Unable to group any chromatographic peaks.")

    fdp <- PeakDensityParam(sampleGroups = rep(1, 3))
    res <- groupChromPeaks(faahko_xod, param = fdp)
    expect_true(hasFeatures(res))
    expect_true(length(processHistory(res)) == 2)
    ph <- processHistory(res, type = .PROCSTEP.PEAK.GROUPING)[[1]]
    expect_equal(processParam(ph), fdp)
    expect_equal(rownames(featureDefinitions(res)),
                 .featureIDs(nrow(featureDefinitions(res))))

    fdp2 <- PeakDensityParam(sampleGroups = rep(1, 3), binSize = 2,
                             minFraction = 0.8)
    res_2 <- groupChromPeaks(faahko_xod, param = fdp2)
    expect_true(length(processHistory(res_2)) == 2)
    ph <- processHistory(res_2, type = .PROCSTEP.PEAK.GROUPING)[[1]]
    expect_equal(processParam(ph), fdp2)
    expect_equal(rownames(featureDefinitions(res_2)),
                 .featureIDs(nrow(featureDefinitions(res_2))))

    pdp <- PeakDensityParam(sampleGroups = rep(1, 3))
    res <- groupChromPeaks(faahko_xod, param = pdp)
    res_2 <- groupChromPeaks(res, param = pdp)
    expect_equal(featureDefinitions(res), featureDefinitions(res_2))
    res_2 <- groupChromPeaks(res, param = pdp, add = TRUE)
    expect_true(nrow(featureDefinitions(res_2)) ==
                2 * nrow(featureDefinitions(res)))
    nr <- nrow(featureDefinitions(res))
    expect_equal(featureDefinitions(res),
                 featureDefinitions(res_2)[1:nr, ])
    expect_equal(featureDefinitions(res)$mzmed,
                 featureDefinitions(res_2)$mzmed[(nr + 1):(2 * nr)])
    expect_equal(featureDefinitions(res)$peakidx,
                 featureDefinitions(res_2)$peakidx[(nr + 1):(2 * nr)])

    expect_error(groupChromPeaks(faahko_xod, param = pdp, msLevel = 2), "MS level 2")
    expect_error(groupChromPeaks(faahko_xod, param = pdp, msLevel = 1:4),
                 "one MS level at a time")
})

test_that("groupPeaks,XCMSnExp,MzClustParam works", {
    skip_on_os(os = "windows", arch = "i386")

    p <- MzClustParam(sampleGroups = rep(1, length(fileNames(fticr_xod))))
    fticr_xod2 <- groupChromPeaks(fticr_xod, param = p)
    expect_true(hasFeatures(fticr_xod2))
    expect_true(length(processHistory(fticr_xod2)) == 2)
    ph <- processHistory(fticr_xod2,
                         type = .PROCSTEP.PEAK.GROUPING)[[1]]
    expect_equal(processParam(ph), p)
    expect_equal(rownames(featureDefinitions(fticr_xod2)),
                 .featureIDs(nrow(featureDefinitions(fticr_xod2))))
    p2 <- MzClustParam(sampleGroups = rep(1, length(fileNames(fticr_xod))),
                       absMz = 1, minFraction = 0.8)
    fticr_xod2 <- groupChromPeaks(fticr_xod, param = p2)
    expect_true(length(processHistory(fticr_xod2)) == 2)
    ph <- processHistory(fticr_xod2,
                         type = .PROCSTEP.PEAK.GROUPING)[[1]]
    expect_equal(processParam(ph), p2)
    expect_equal(rownames(featureDefinitions(fticr_xod2)),
                 .featureIDs(nrow(featureDefinitions(fticr_xod2))))
})

test_that("groupChromPeaks,XCMSnExp,NearestPeaksParam works", {
    skip_on_os(os = "windows", arch = "i386")

    p <- NearestPeaksParam(sampleGroups = rep(1, 3))
    res <- groupChromPeaks(faahko_xod, param = p)
    expect_true(hasFeatures(res))
    expect_true(length(processHistory(res)) == 2)
    ph <- processHistory(res, type = .PROCSTEP.PEAK.GROUPING)[[1]]
    expect_equal(processParam(ph), p)
    expect_equal(rownames(featureDefinitions(res)),
                 .featureIDs(nrow(featureDefinitions(res))))
    fdp2 <- NearestPeaksParam(sampleGroups = rep(1, 3), kNN = 3)
    res <- groupChromPeaks(faahko_xod, param = fdp2)
    expect_true(length(processHistory(res)) == 2)
    ph <- processHistory(res, type = .PROCSTEP.PEAK.GROUPING)[[1]]
    expect_equal(processParam(ph), fdp2)
    expect_equal(rownames(featureDefinitions(res)),
                 .featureIDs(nrow(featureDefinitions(res))))

    expect_error(groupChromPeaks(faahko_xod, param = p, msLevel = 2), "MS level 2")
    expect_error(groupChromPeaks(faahko_xod, param = p, msLevel = 1:3), " at a time")
    res <- groupChromPeaks(faahko_xod, param = p)
    res_2 <- groupChromPeaks(res, param = p)
    expect_equal(featureDefinitions(res), featureDefinitions(res_2))
    res_2 <- groupChromPeaks(res, param = p, add = TRUE)
    expect_true(nrow(featureDefinitions(res_2)) ==
                2 * nrow(featureDefinitions(res)))
    nr <- nrow(featureDefinitions(res))
    expect_equal(featureDefinitions(res), featureDefinitions(res)[1:nr, ])
    expect_equal(featureDefinitions(res)$peakidx,
                 featureDefinitions(res_2)$peakidx[(nr + 1):(2 * nr)])
    expect_equal(featureDefinitions(res)$mzmed,
                 featureDefinitions(res_2)$mzmed[(nr + 1):(2 * nr)])
})

test_that("fillChromPeaks,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    ## No adjusted retention times
    expect_true(!.hasFilledPeaks(xod_xg))
    expect_false(hasFilledChromPeaks(xod_xg))
    res <- fillChromPeaks(xod_xg)
    expect_true(.hasFilledPeaks(res))
    expect_true(hasFilledChromPeaks(res))
    ph <- processHistory(res, type = xcms:::.PROCSTEP.PEAK.FILLING)
    expect_true(length(ph) == 1)
    expect_equal(ph[[1]]@param, FillChromPeaksParam())
    ## Check parameter filled in featureValues (issue #157)
    expect_equal(featureValues(res, filled = FALSE), featureValues(xod_xg))

    ## Check if the signal corresponds to what we expect for some peaks.
    fp <- chromPeaks(res)
    fp <- fp[chromPeakData(res)$is_filled, ]
    idxs <- sample(1:nrow(fp), 5)
    for (i in idxs) {
        cfp <- fp[i, , drop = FALSE]
        tmp <- filterFile(xod_xg, file = cfp[1, "sample"])
        chr <- chromatogram(tmp, rt = cfp[1, c("rtmin", "rtmax")],
                            mz = cfp[1, c("mzmin", "mzmax")])[1, 1]
        into <- sum(intensity(chr), na.rm = TRUE) *
            (cfp[1, "rtmax"] - cfp[1, "rtmin"]) / (length(chr) - 1)
        expect_equal(unname(into), unname(cfp[1, "into"]))
    }

    ## Check if the results are similar that we get with findChromPeaks
    for (i in 1:length(fileNames(xod_xg))) {
        fnd_pks <- chromPeaks(xod_xg)[chromPeaks(xod_xg)[, "sample"] == i, ]
        prm <- processHistory(tmp, type ="Peak detection")[[1]]@param
        ## Extract the data for these using the internal function.
        fld_pks <- .getChromPeakData(filterFile(xod_xg, i),
                                     peakArea = fnd_pks,
                                     sample_idx = i,
                                     cn = colnames(fnd_pks))
        ## rt
        expect_true(cor(fnd_pks[, "rt"], fld_pks[, "rt"]) > 0.99)
        ## mz
        expect_true(cor(fnd_pks[, "mz"], fld_pks[, "mz"]) > 0.99)
        expect_equal(unname(fnd_pks[, "mz"]), unname(fld_pks[, "mz"]))
        ## into
        expect_true(cor(fnd_pks[, "into"], fld_pks[, "into"]) > 0.99)
        expect_equal(unname(fnd_pks[, "into"]), unname(fld_pks[, "into"]))
        ## expect_equal(fnd_pks[, "into"], fld_pks[, "into"])
        ## maxo
        expect_equal(unname(fnd_pks[, "maxo"]), unname(fld_pks[, "maxo"]))
        expect_equal(unname(fnd_pks[, "maxo"]), unname(fld_pks[, "maxo"]))
    }

    ## Check for the NAs if there is really no signal
    gv <- featureValues(res)
    feat_i <- which(is.na(gv[, 1]))
    tmp <- chromPeaks(res)[featureDefinitions(res)$peakidx[[feat_i]],
                           c("rtmin", "rtmax", "mzmin", "mzmax")]
    ## Get the intensities for the first one.
    pkArea <- apply(tmp, median, MARGIN = 2)
    chr <- chromatogram(res, rt = pkArea[1:2], mz = pkArea[3:4])[1, ]
    expect_true(all(unlist(lapply(chr, function(z) is.na(intensity(z))))))
    ## Get also the spectra:
    spctr <- spectra(filterRt(filterFile(xod_xg, file = 1), rt = pkArea[1:2]))
    mzs <- unlist(lapply(spctr, mz))
    ## No spectra for the fiven mz:
    expect_equal(sum(mzs >= pkArea[3] & mzs <= pkArea[4]), 0)

    ## Check increasing the expandRt and expandMz to see whether we get rid of
    ## the NA.
    res_2 <- fillChromPeaks(xod_xg, param = FillChromPeaksParam(expandMz = 1))
    ## Check if the mzrange is now indeed broader for the integrated ones.
    fp <- chromPeaks(res)
    fp <- fp[chromPeakData(res)$is_filled, ]
    fp2 <- chromPeaks(res_2)
    fp2 <- fp2[chromPeakData(res)$is_filled, ]
    expect_equal(fp2[, "mzmax"] - fp2[, "mzmin"],
                 2 * (fp[, "mzmax"] - fp[, "mzmin"]))

    res_2 <- fillChromPeaks(xod_xg, param = FillChromPeaksParam(fixedRt = 1))
    ## Check if the rtrange is now indeed broader for the integrated ones.
    fp <- chromPeaks(res)
    fp <- fp[chromPeakData(res)$is_filled, ]
    fp2 <- chromPeaks(res_2)
    fp2 <- fp2[chromPeakData(res)$is_filled, ]
    expect_equal(fp[, "rt"], fp2[, "rt"])
    expect_equal(fp[, "rtmin"] - 1, fp2[, "rtmin"])
    expect_equal(fp[, "rtmax"] + 1, fp2[, "rtmax"])

    res_2 <- fillChromPeaks(xod_xg, param = FillChromPeaksParam(expandRt = 1))
    ## Check if the rtrange is now indeed broader for the integrated ones.
    fp <- chromPeaks(res)
    fp <- fp[chromPeakData(res)$is_filled, ]
    fp2 <- chromPeaks(res_2)
    fp2 <- fp2[chromPeakData(res)$is_filled, ]
    expect_equal(fp2[, "rtmax"] - fp2[, "rtmin"],
                 2 * (fp[, "rtmax"] - fp[, "rtmin"]))
    ## Check using ppm
    res_2 <- fillChromPeaks(xod_xg, param = FillChromPeaksParam(ppm = 40,
                                                                expandMz = 5,
                                                                expandRt = 2))
    expect_true(all(!is.na(rowSums(featureValues(res_2)))))
    ## Drop them.
    res_rem <- dropFilledChromPeaks(res)
    expect_true(!.hasFilledPeaks(res_rem))
    expect_equal(res_rem, xod_xg)
    ## Drop feature definitions from res -> also filled peaks should be dropped.
    res_rem <- dropFeatureDefinitions(res)
    expect_true(!.hasFilledPeaks(res_rem))
    expect_true(!any(chromPeakData(res_rem)$is_filled))
    expect_equal(res_rem, xod_x)

    ## With adjusted rtime.
    res_2 <- fillChromPeaks(xod_xgrg)
    ## Check if the signal corresponds to what we expect for some peaks.
    fp <- chromPeaks(res_2)
    fp <- fp[chromPeakData(res_2)$is_filled, ]
    ## These have to be different from before!
    fp_raw <- chromPeaks(res)
    fp_raw <- fp_raw[chromPeakData(res)$is_filled, ]
    expect_true(all(fp_raw[, "rt"] != fp[, "rt"]))
    expect_true(all(fp_raw[, "rtmin"] != fp[, "rtmin"]))
    expect_true(all(fp_raw[, "rtmax"] != fp[, "rtmax"]))
    expect_equal(fp_raw[, "mz"], fp[, "mz"])
    expect_equal(fp_raw[, "mzmin"], fp[, "mzmin"])
    expect_equal(fp_raw[, "mzmax"], fp[, "mzmax"])
    ## Values are expected to be different, but still correlated!
    expect_true(all(fp_raw[, "into"] != fp[, "into"]))
    expect_true(cor(fp_raw[, "into"], fp[, "into"]) > 0.99)
    ## Check if we can get the same data using the provided range.
    ## Use the .rawMat function
    first <- filterFile(xod_xgrg, file = 1, keepAdjustedRtime = TRUE)
    spctr <- spectra(first)
    mzs <- lapply(spctr, mz)
    vps <- lengths(mzs)
    ints <- unlist(lapply(spctr, intensity), use.names = FALSE)
    mzs <- unlist(mzs, use.names = FALSE)
    rtim <- rtime(first)
    idx <- which(fp[, "sample"] == 1)
    for (i in idx) {
        mtx <- .rawMat(mz = mzs, int = ints, scantime = rtim,
                       valsPerSpect = vps,
                       rtrange = fp[i, c("rtmin", "rtmax")],
                       mzrange = fp[i, c("mzmin", "mzmax")])
        into <- sum(mtx[, 3], na.rm = TRUE) *
            ((fp[i, "rtmax"] - fp[i, "rtmin"]) /
             (sum(rtim >= fp[i, "rtmin"] & rtim <= fp[i, "rtmax"]) - 1))
        expect_equal(unname(into), unname(fp[i, "into"]))
    }
    ## Drop them.
    res_rem <- dropFilledChromPeaks(res_2)
    expect_true(!.hasFilledPeaks(res_rem))
    expect_equal(res_rem, xod_xgrg)

    expect_error(fillChromPeaks(xod_xgrg, msLevel = 1:2,
                                param = FillChromPeaksParam()),
                 "for one MS level at a time")
    expect_error(fillChromPeaks(xod_xgrg, param = FillChromPeaksParam(),
                                msLevel = 2L),
                 "No feature definitions")
})

test_that("fillChromPeaks,XCMSnExp works with only MS2 data", {
    skip_on_os(os = "windows", arch = "i386")

    tmp <- xod_xgrg
    fData(tmp)[fromFile(tmp) == 2, "msLevel"] <- 2L
    res <- fillChromPeaks(tmp, FillChromPeaksParam(fixedRt = 2))
    expect_true(!any(chromPeakData(res)$is_filled[chromPeaks(res)[, "sample"] == 2]))
    res_2 <- fillChromPeaks(xod_xgrg, FillChromPeaksParam(fixedRt = 2))
    expect_true(nrow(chromPeaks(res_2)) > nrow(chromPeaks(res)))
    expect_equal(chromPeaks(res)[chromPeaks(res)[, "sample"] == 1, ],
                 chromPeaks(res_2)[chromPeaks(res_2)[, "sample"] == 1, ])
})

test_that("fillChomPeaks,ChromPeakAreaParam works", {
    skip_on_os(os = "windows", arch = "i386")

    res <- fillChromPeaks(xod_xgrg, ChromPeakAreaParam())
    expect_true(hasFilledChromPeaks(res))
})

test_that("fillChromPeaks,XCMSnExp with MSW works", {
    skip_on_os(os = "windows", arch = "i386")

    p <- MzClustParam()
    fticr_xodg <- groupChromPeaks(fticr_xod, param = p)
    expect_error(res <- fillChromPeaks(fticr_xod))
    res <- fillChromPeaks(fticr_xodg)

    ## Got a signal for all of em.
    expect_true(!any(is.na(featureValues(res))))
    ## OK
    ## 2) Check if the fillChromPeaks returns same/similar data than the
    ##    findChromPeaks does:
    fdef <- featureDefinitions(fticr_xodg)
    pkArea <- do.call(
        rbind,
        lapply(
            fdef$peakidx, function(z) {
                tmp <- chromPeaks(fticr_xodg)[z, c("rtmin", "rtmax",
                                                   "mzmin", "mzmax"),
                                              drop = FALSE]
                pa <- c(median(tmp[, 1]), median(tmp[, 2]),
                        median(tmp[, 3]), median(tmp[, 4]))
                return(pa)
            }
        ))
    colnames(pkArea) <- c("rtmin", "rtmax", "mzmin", "mzmax")
    pkArea <- cbind(group_idx = 1:nrow(pkArea), pkArea,
                    mzmed = fdef$mzmed)
    ## Get peak data for all peaks in the first file
    allPks <- .getMSWPeakData(filterFile(fticr_xodg, file = 1),
                              peakArea = pkArea,
                              sample_idx = 1,
                              cn = colnames(chromPeaks(fticr_xodg)))
    curP <- chromPeaks(res)[chromPeaks(res)[, "sample"] == 1, ]
    curP <- curP[order(curP[, "mz"]), ]
    expect_equal(unname(allPks[, "mz"]), unname(curP[, "mz"]))
    expect_equal(unname(allPks[, "maxo"]), unname(curP[, "maxo"]))
    expect_true(cor(allPks[, "into"], curP[, "into"]) > 0.99) ## Not exactly the
    ## same but highly similar.
})

test_that("fillChromPeaks,XCMSnExp with matchedFilter works", {
    skip_on_os(os = "windows", arch = "i386")

    tmp <- findChromPeaks(faahko_od, param = MatchedFilterParam())
    sg <- rep(1, length(fileNames(tmp)))
    tmp <- groupChromPeaks(tmp, param = PeakDensityParam(sampleGroups = sg))

    tmp_filled <- fillChromPeaks(tmp)
    expect_true(sum(is.na(featureValues(tmp_filled))) <
                sum(is.na(featureValues(tmp))))
    nas <- is.na(featureValues(tmp)[, 1]) | is.na(featureValues(tmp)[, 2])
    expect_true(cor(featureValues(tmp, value = "into")[!nas, 1],
                    featureValues(tmp, value = "into")[!nas, 2]) > 0.97)
    expect_true(cor(featureValues(tmp_filled, value = "into")[, 1],
                    featureValues(tmp_filled, value = "into")[, 2],
                    use = "complete.obs") > 0.97)

    ## Check signal generation for already found peaks.
    for (i in 1:length(fileNames(tmp))) {
        fnd_pks <- chromPeaks(tmp)[chromPeaks(tmp)[, "sample"] == i, ]
        prm <- processHistory(tmp, type ="Peak detection")[[1]]@param
        ## Extract the data for these using the internal function.
        fld_pks <- .getChromPeakData_matchedFilter(filterFile(tmp, i),
                                                   peakArea = fnd_pks,
                                                   sample_idx = i,
                                                   param = prm,
                                                   cn = colnames(fnd_pks))
        ## rt can not be the same, since for fillChromPeaks it is the rt of the
        ## maximum signal and for findChromPeaks it is the rt of the apex of the
        ## filtered/fitted peak.
        expect_true(cor(fnd_pks[, "rt"], fld_pks[, "rt"]) > 0.99)
        ## mz: also not the same; most likely due to slightly different binning.
        diffs <- fnd_pks[, "mz"] - fld_pks[, "mz"]
        expect_true(max(diffs) < 1e-4)
        ## into
        expect_equal(unname(fnd_pks[, "into"]), unname(fld_pks[, "into"]))
        ## maxo
        expect_equal(unname(fnd_pks[, "maxo"]), unname(fld_pks[, "maxo"]))
    }

    ## modify fillChromPeaks settings.
    tmp_fld_2 <- fillChromPeaks(
        tmp, param = FillChromPeaksParam(ppm = 40, expandRt = 1))
    expect_true(sum(is.na(featureValues(tmp_filled))) <
                sum(is.na(featureValues(tmp))))
    expect_true(sum(is.na(featureValues(tmp_fld_2))) <
                sum(is.na(featureValues(tmp_filled))))
    nas <- is.na(featureValues(tmp)[, 1]) | is.na(featureValues(tmp)[, 2])
    expect_true(cor(featureValues(tmp_fld_2, value = "into")[, 1],
                    featureValues(tmp_fld_2, value = "into")[, 2],
                    use = "complete.obs") > 0.97)
})

test_that("writeMSData,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    ## Write adjusted retention times
    tmp_path <- tempdir()
    nfls <- paste0(tmp_path, "/",
                   sub(".CDF$", "_2.mzML", basename(fileNames(xod_xgr))))
    tmp <- filterRt(xod_xgr, rt = c(2500, 2700))
    writeMSData(tmp, file = nfls)
    data_in <- readMSData(nfls, mode = "onDisk")
    expect_equal(unname(rtime(data_in)), unname(rtime(tmp)))
})

test_that("adjustRtime,XCMSnExp,Obiwarp works", {
    skip_on_os(os = "windows", arch = "i386")

    prm <- ObiwarpParam(centerSample = 3, subset = c(1, 2), binSize = 10)
    expect_error(adjustRtime(xod_x, param = prm))
    prm <- ObiwarpParam(centerSample = 2, subset = c(1, 2), binSize = 10)
    res <- adjustRtime(xod_x, param = prm)
    plotAdjustedRtime(res, col = c("#ff000060", "#00ff0060", "#0000ff60"))
    expect_equal(rtime(xod_x, bySample = TRUE)[[2]],
                 rtime(xod_x, bySample = TRUE)[[2]])
    expect_equal(rtime(xod_x, bySample = TRUE)[[3]],
                 rtime(xod_x, bySample = TRUE)[[3]])

    prm <- ObiwarpParam(centerSample = 1, subset = c(1, 3), binSize = 10)
    res <- adjustRtime(xod_x, param = prm)
    plotAdjustedRtime(res, col = c("#ff000060", "#00ff0060", "#0000ff60"))
    expect_equal(rtime(xod_x, bySample = TRUE)[[1]],
                 rtime(xod_x, bySample = TRUE)[[1]])
})

test_that("dropFilledChromPeaks,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    xod_tmp <- groupChromPeaks(
        xod_xgr, param = PeakDensityParam(sampleGroups = rep(1, 3),
                                          minFraction = 0.25))
    xod_tmpf <- fillChromPeaks(
        xod_tmp, param = FillChromPeaksParam(fixedRt = 30))
    res <- dropFilledChromPeaks(xod_tmpf)
    expect_equal(chromPeaks(res), chromPeaks(xod_xgr))
})

test_that("updateObject,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    tmp <- faahko_xod
    en <- new("MsFeatureData")
    en@.xData <- .copy_env(tmp@msFeatureData@.xData)
    rownames(en$chromPeaks) <- NULL
    tmp@msFeatureData <- en
    expect_true(is.null(rownames(chromPeaks(tmp))))
    tmp <- updateObject(tmp)
    expect_true(!is.null(rownames(chromPeaks(tmp))))
})

test_that("filterMsLevel works with MS>1", {
    skip_on_os(os = "windows", arch = "i386")

    ms2 <- filterRt(as(pest_dda, "OnDiskMSnExp"), rt = c(200, 600))
    res <- findChromPeaks(ms2, param = CentWaveParam(
                                   prefilter = c(3, 1000)),
                          msLevel = 1)
    res_1 <- filterMsLevel(res, msLevel = 1)
    res_2 <- filterMsLevel(res, msLevel = 2)
    expect_true(all(msLevel(res_1) == 1))
    expect_true(all(msLevel(res_2) == 2))
    expect_equal(chromPeaks(res_1), chromPeaks(res))
    expect_equal(processHistory(res_1), processHistory(res))
    expect_true(length(processHistory(res_2)) == 0)
    expect_true(hasChromPeaks(res_1))
    expect_false(hasChromPeaks(res_1, msLevel = 2L))
    expect_false(hasChromPeaks(res_2))
})

test_that("chromPeakData,XCMSnExp works", {
    skip_on_os(os = "windows", arch = "i386")

    tmp <- xod_x
    expect_error(chromPeakData(tmp) <- 5, "'chromPeakData' is supposed")
    chromPeakData(tmp)$other_column <- "b"
    expect_true(all(chromPeakData(tmp)$other_column == "b"))

    res <- filterRt(tmp, rt = c(2800, 3000))
    expect_true(hasChromPeaks(res))
    expect_true(validObject(res))
    expect_true(all(chromPeakData(res)$other_column == "b"))
    expect_true(any(colnames(chromPeakData(res)) == "other_column"))

    res <- filterMz(tmp, mz = c(400, 500))
    expect_true(hasChromPeaks(res))
    expect_true(validObject(res))
    expect_true(all(chromPeakData(res)$other_column == "b"))
    expect_true(any(colnames(chromPeakData(res)) == "other_column"))

    res <- filterMsLevel(tmp, msLevel = 2L)
    expect_true(length(res) == 0)
    expect_false(hasChromPeaks(res))
    res <- filterMsLevel(tmp, msLevel = 1L)
    expect_equal(chromPeaks(res), chromPeaks(tmp))
    expect_equal(chromPeakData(res), chromPeakData(tmp))

    res <- filterFile(tmp, 2)
    expect_true(