Nothing
up <- ping_service("cir")
test_that("cir_query()", {
skip_on_cran()
skip_if_not(up, "CIR server is down")
expect_equal(cir_query('Triclosan', 'mw')$mw[1], 289.5451)
expect_equal(cir_query('xxxxxxx', 'mw')$mw[1], NA)
expect_equal(cir_query("3380-34-5", 'stdinchikey', resolver = 'cas_number')$stdinchikey[1],
"InChIKey=XEFQLINVKFYRCS-UHFFFAOYSA-N")
expect_true(nrow(cir_query('Triclosan', 'cas')) > 1)
expect_true(nrow(cir_query('Triclosan', 'cas', match = "first")) == 1)
expect_true(nrow(cir_query(c('Triclosan', 'Aspirin'), 'cas', match = "first")) == 2)
expect_equal(cir_query('acetic acid', 'mw', match = "first"),
tibble(query = "acetic acid", mw = 60.0524))
})
test_that("cir_query() doesn't mistake NA for sodium", {
skip_on_cran()
skip_if_not(up, "CIR server is down")
expect_true(is.na(cir_query(as.character(NA), 'cas')$cas))
})
test_that("cir_query() handles special characters in SMILES", {
skip_on_cran()
skip_if_not(up, "CIR server is down")
expect_equal(cir_query("C#C", representation = "inchikey")$inchikey,
"InChIKey=HSFWRNGVRCDJHI-UHFFFAOYNA-N")
})
test_that("cir_query() handles NA queries and queries that return NA", {
skip_on_cran()
skip_if_not(up, "CIR server is down")
expect_identical(
cir_query(c("Triclosan", "pumpkin", NA), representation = "cas",match = "first"),
tibble(query = c("Triclosan", "pumpkin", NA_character_),
cas = c("3380-34-5", NA_character_, NA_character_))
)
})
test_that("cir_img()", {
skip_on_cran()
skip_if_not(up, "CIR server is down")
expect_true(is.null(cir_img('CCO', tempdir())))
fl <- file.path(tempdir(), 'CCO.png')
expect_true(file.exists(fl))
fl2 <- file.path(tempdir(), 'abcdefghijk.png')
cir_img('abcdefghijk', tempdir())
expect_true(!file.exists(fl2))
})
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