test_open <- function() { file <- system.file('cdf/ko15.CDF', package = "msdata") cdf <- openMSfile(file, backend="netCDF") checkTrue(class(cdf)=="mzRnetCDF") close(cdf) } test_length <- function() { file <- system.file('cdf/ko15.CDF', package = "msdata") cdf <- openMSfile(file, backend="netCDF") checkEquals(length(cdf),1278) close(cdf) } test_peaks <- function() { file <- system.file('cdf/ko15.CDF', package = "msdata") cdf <- openMSfile(file, backend="netCDF") checkTrue(class(cdf)=="mzRnetCDF") p <- peaks(cdf) checkTrue(length(p)==1278) checkTrue(all(colnames(p)==c("mz", "intensity"))) p <- peaks(cdf,1) checkTrue(ncol(p)==2) checkTrue(nrow(p)==429) p <- peaks(cdf,2:3) checkTrue(length(p)==2) p <- peaks(cdf,1278) checkTrue(ncol(p)==2) checkTrue(nrow(p)==40) ## Can we check that this indeed throws an error: ## Error in seq.default(rawdata$scanindex[scans] + 1, min(rawdata$scanindex[scans + : 'from' must be a finite number ## p <- peaks(cdf,1279) ri1 <- list(scanCount = 1278L, lowMz = 200, highMz = 600, dStartTime = 2501.378, dEndTime = 4499.824, msLevels = NA, startTimeStamp = "2004,06,01,10:28:03+0800") ri2 <- runInfo(cdf) checkTrue(all.equal(ri1, ri2)) ii1 <- list(model = " ", manufacturer = "Agilent Technologies", ionisation = "Electrospray Ionization", detector = "Conversion Dynode Electron Multiplier", analyzer = NA) ii2 <- instrumentInfo(cdf) checkTrue(all.equal(ii1, ii2)) close(cdf) } test_header <- function() { file <- system.file('cdf/ko15.CDF', package = "msdata") cdf <- openMSfile(file, backend="netCDF") h <- header(cdf) checkEquals(ncol(h), 31) checkEquals(nrow(h), 1278) checkTrue(any(colnames(h) == "centroided")) checkTrue(all(is.na(h$centroided))) checkTrue(any(colnames(h) == "ionMobilityDriftTime")) checkTrue(all(h$ionMobilityDriftTime == -1)) checkTrue(any(colnames(h) == "spectrumId")) checkEquals(h$spectrumId, paste0("scan=", h$acquisitionNum)) checkTrue(any(colnames(h) == "scanWindowLowerLimit")) checkTrue(any(colnames(h) == "scanWindowUpperLimit")) checkTrue(all(is.na(h$scanWindowLowerLimit))) checkTrue(all(is.na(h$scanWindowUpperLimit))) h <- header(cdf, 1) checkEquals(ncol(h), 31) checkEquals(nrow(h), 1) h <- header(cdf, 2:3) checkEquals(ncol(h), 31) checkEquals(nrow(h), 2) close(cdf) } test_chromatogram <- function() { file <- system.file('cdf/ko15.CDF', package = "msdata") x <- openMSfile(file, backend="netCDF") suppressWarnings( chr <- chromatogram(x) ) checkTrue(length(chr) == 0) suppressWarnings( chr <- chromatograms(x) ) checkTrue(length(chr) == 0) close(x) } test_chromatogramHeader <- function() { file <- system.file('cdf/ko15.CDF', package = "msdata") x <- openMSfile(file, backend="netCDF") suppressWarnings( ch <- chromatogramHeader(x) ) checkTrue(nrow(ch) == 0) close(x) } if (FALSE) { suite <- RUnit::defineTestSuite(name = paste("mzR", "RUnit Tests"), dirs = "/vol/R/BioC/devel/mzR/inst/unitTests", testFileRegexp = "^test_.*\\.R$", rngKind = "default", rngNormalKind = "default") result <- RUnit::runTestSuite(suite) RUnit::printTextProtocol(result, showDetails = FALSE) }