diff options
| author | Johannes Ranke <johannes.ranke@jrwb.de> | 2026-03-19 09:36:26 +0100 |
|---|---|---|
| committer | Johannes Ranke <johannes.ranke@jrwb.de> | 2026-03-19 09:37:51 +0100 |
| commit | 32caaedcc6b6b8addc9f23fce9dca4188f692fed (patch) | |
| tree | 78bd8099ae870713567f989afe0f9b6690e0bb7a /tests | |
| parent | f8b7f375ffc3553cdaa77650eb7492f06293fe84 (diff) | |
Also, only check availability of PubChem and BCPC once, this should
really be sufficient.
Diffstat (limited to 'tests')
| -rw-r--r-- | tests/testthat/test_chent.R | 9 | ||||
| -rw-r--r-- | tests/testthat/test_pai.R | 4 |
2 files changed, 2 insertions, 11 deletions
diff --git a/tests/testthat/test_chent.R b/tests/testthat/test_chent.R index a008599..7d1a58b 100644 --- a/tests/testthat/test_chent.R +++ b/tests/testthat/test_chent.R @@ -4,10 +4,9 @@ test_that("We can initialise an object and add information", { expect_equal(oct$inchikey, structure(NA, source = "user")) expect_equal(oct$smiles, c(user = "CCCCCCCCO")) - if (webchem::ping_service("pc")) { + if (pc_up) { oct$try_pubchem() |> - expect_message("Querying PubChem for name 1-octanol") |> - expect_warning("Overwriting uninitialized InChIKey") + expect_message("Querying PubChem for name 1-octanol") expect_equal(oct$inchikey, structure("KBPLFHHGFOOTCA-UHFFFAOYSA-N", source = "pubchem")) expect_equal(oct$smiles[["PubChem"]], "CCCCCCCCO") expect_equal(round(oct$mw, 2), structure(130.23, source = "pubchem")) @@ -17,10 +16,6 @@ test_that("We can initialise an object and add information", { oct$get_rdkit() |> expect_message("Get chemical information from RDKit using user SMILES") - # Check availability of BCPC and PubChem immediately before use - bcpc_up <- webchem::ping_service("bcpc") - pc_up <- webchem::ping_service("pc") - skip_if_not(pc_up) expect_snapshot(print(oct)) }) diff --git a/tests/testthat/test_pai.R b/tests/testthat/test_pai.R index fbc9757..4934ab8 100644 --- a/tests/testthat/test_pai.R +++ b/tests/testthat/test_pai.R @@ -1,9 +1,5 @@ test_that("a pai object is correctly generated", { - # Check availability of BCPC and PubChem immediately before use - bcpc_up <- webchem::ping_service("bcpc") - pc_up <- webchem::ping_service("pc") - skip_if_not(bcpc_up & pc_up) {glyphosate <- pai$new("glyphosate", rdkit = FALSE)} |> |