library(testthat) test_that("preprocess_data works correctly", { retlist <- preprocess_data(RP, verbose = 0) expect_true(class(retlist) == "data.frame") expect_true(all(c("RT", "NAME", "SMILES") %in% colnames(retlist))) expect_true(all(colnames(retlist) %in% c("RT", "NAME", "SMILES", CDFeatures))) })