test_that("isoprene is more volatile than glucose", { isoprene <- ChemmineR::read.SDFset(mol_example()[5]) glucose <- ChemmineR::read.SDFset(mol_example()[1]) log10P_together <- simpol1(dplyr::bind_rows( get_fx_groups(isoprene), get_fx_groups(glucose) ))$log10_P log10P_separate <- c( simpol1(get_fx_groups(isoprene))$log10_P, simpol1(get_fx_groups(glucose))$log10_P ) expect_gt(log10P_together[1], log10P_together[2]) expect_equal(log10P_together, log10P_separate) })