testCompData <- data.frame(compound = c("limonene", "benzaldehyde"), smiles = c("CC1=CCC(CC1)C(=C)C", "C1=CC=C(C=C1)C=O"), inchikey = c("XMGQYMWWDOXHJM-UHFFFAOYSA-N", "HUMNYLRZRPPJDN-UHFFFAOYSA-N")) testSampData <- data.frame(limonene = c(0.3,0.4,0.1), benzaldehyde = c(0.7,0.6,0.9)) test_that("Formatting ok message is printed", { expect_message(chemoDivCheck(testSampData, testCompData), "The two datasets") }) test_that("Formatting problem messages are printed", { expect_error(chemoDivCheck(as.matrix(testSampData), testCompData), "sampleData should") expect_error(chemoDivCheck(testSampData, as.matrix(testCompData)), "compoundData should") expect_message(chemoDivCheck(testSampData, testCompData[,1:2]), "compoundData should include") expect_message(chemoDivCheck(testSampData * 2, testCompData), "Not all row sums") expect_message(chemoDivCheck(testSampData, testCompData[c(2,1),]), "The name and order") expect_message(chemoDivCheck(testSampData[,c(2,1)], testCompData), "The name and order") })