w <- newMsmsWorkspace()
RmbDefaultSettings()
files <- list.files(system.file("spectra", package="RMassBankData"), ".mzML", full.names = TRUE)
w@files <- files
loadList(system.file("list/NarcoticsDataset.csv", package="RMassBankData"))
w <- msmsWorkflow(w, mode="pH", steps=c(1:4), archivename="pH_narcotics")
w <- msmsWorkflow(w, mode="pH", steps=c(5:8), archivename="pH_narcotics")
mb <- newMbWorkspace(w)
mb <- loadInfolists(mb, system.file("infolists", package="RMassBankData"))
mb <- mbWorkflow(mb)
### Error message code structure borrowed from rcppgls:
### https://github.com/eddelbuettel/rcppgsl/blob/master/inst/unitTests/runTests.R
testElec <- RUnit::defineTestSuite("Electronic noise and formula calculation Test", dirs = system.file("unitTests",
package="RMassBank"), testFileRegexp = "test_El.*")
testAcqu <- RUnit::defineTestSuite("Evaluation of data acquisition process", dirs = system.file("unitTests",
package="RMassBank"), testFileRegexp = "test_mzR.R")
testNope <- RUnit::defineTestSuite("Evaluation of correct handling if no peaks are found", dirs = system.file("unitTests",
package="RMassBank"), testFileRegexp = "test_NOPEAKS.R")
errEval <- function(testSuite){
Res <- RUnit::runTestSuite(testSuite)
err <- getErrors(Res)
if((err$nFail + err$nErr) > 0){
stop(sprintf('unit test problems: %d failures, %d errors in testfunction: "%s"', err$nFail, err$nErr, testSuite$name) )
} else{
success <- err$nTestFunc - err$nFail - err$nErr - err$nDeactivated
cat( sprintf( "%d / %d\n", success, err$nTestFunc ) )
}
}
errEval(testElec)
errEval(testAcqu)
errEval(testNope)
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