up <- ping_service("cts") test_that("cts_compinfo()", { skip_on_cran() skip_if_not(up, "CTS service down") expect_true(is.na(cts_compinfo("xxx"))) o1 <- suppressWarnings(cts_compinfo("XEFQLINVKFYRCS-UHFFFAOYSA-N")) o2 <- suppressWarnings(cts_compinfo(c("XEFQLINVKFYRCS-UHFFFAOYSA-N", "XEFQLINVKFYRCS-UHFFFAOYSA-X"))) expect_equal(suppressWarnings(cts_compinfo("XEFQLINVKFYRCS-UHFFFAOYSA-X"))[[1]], NA) expect_true(is.na(cts_compinfo("XEFQLINVKFYRCS-UHFFFAOYSA-X"))) expect_length(o1[[1]], 11) expect_equal(round(o1[[1]][["molweight"]], 3), 289.542) expect_length(o2, 2) expect_true(is.na(o2[[2]])) }) test_that("cts_convert()", { skip_on_cran() skip_if_not(up, "CTS service down") comp <- c('Triclosan', 'Hexane') expect_error(cts_convert(comp, c('Chemical Name', 'CAS'), 'CAS')) expect_error(cts_convert('Triclosan', 'CAS')) expect_true(is.na(cts_convert('xxxx', 'Chemical Name', 'inchikey'))) o1 <- cts_convert(comp, 'Chemical Name', 'inchikey', match = "first") expect_length(o1, 2) expect_equal(o1[[1]], 'XEFQLINVKFYRCS-UHFFFAOYSA-N') expect_equal(cts_convert("triclosan", "chemical name", "inchikey")$triclosan, "XEFQLINVKFYRCS-UHFFFAOYSA-N") expect_equal(cts_convert(NA, from = "Chemical Name", to = "inchikey"), list(NA), ignore_attr = TRUE) expect_equal(cts_convert(180, "pubchem cid", "inchikey")[[1]], "CSCPPACGZOOCGX-UHFFFAOYSA-N") }) test_that("fromto", { skip_on_cran() skip_if_not(up, "CTS service down") to <- cts_to() from <- cts_from() expect_type(to, "character") expect_type(from, "character") })