diff options
Diffstat (limited to 'tests/testthat/test_pai.R')
| -rw-r--r-- | tests/testthat/test_pai.R | 21 |
1 files changed, 15 insertions, 6 deletions
diff --git a/tests/testthat/test_pai.R b/tests/testthat/test_pai.R index 0d5264a..fbc9757 100644 --- a/tests/testthat/test_pai.R +++ b/tests/testthat/test_pai.R @@ -1,14 +1,23 @@ test_that("a pai object is correctly generated", { - skip_on_travis() # server certificate verification failed in curl_fetch_memory() - {glyphosate <- pai$new("glyphosate")} |> - expect_message("Querying BCPC for glyphosate") |> - expect_message("Querying PubChem for inchikey ") |> - expect_message("Get chemical information from RDKit using PubChem SMILES") - + + # Check availability of BCPC and PubChem immediately before use + bcpc_up <- webchem::ping_service("bcpc") + pc_up <- webchem::ping_service("pc") + + skip_if_not(bcpc_up & pc_up) + + {glyphosate <- pai$new("glyphosate", rdkit = FALSE)} |> + expect_message("Querying BCPC for glyphosate") |> + expect_message("Querying PubChem for inchikey ") + + # Check BCPC results expect_equal(glyphosate$bcpc$cas, "1071-83-6") expect_equal(glyphosate$bcpc$formula, "C3H8NO5P") expect_equal(glyphosate$bcpc$iupac_name, "N-(phosphonomethyl)glycine") + expect_equal(names(glyphosate$identifier), "glyphosate") + + # Check PubChem results ik = "XDDAORKBJWWYJS-UHFFFAOYSA-N" expect_equal(glyphosate$inchikey, structure("XDDAORKBJWWYJS-UHFFFAOYSA-N", source = c("bcpc", "pubchem"))) expect_equal(round(glyphosate$mw, 2), structure(169.07, source = "pubchem")) |