From d6c7e8f5a0d0d4b564addf5b447bed6b3ba03b5e Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 5 Mar 2026 11:47:12 +0100 Subject: Do not depend on RDKit in pai test This hopefully addresses test failures observed on R-Universe. Update coverage report. --- tests/testthat/test_pai.R | 11 +++++++---- 1 file changed, 7 insertions(+), 4 deletions(-) (limited to 'tests/testthat/test_pai.R') diff --git a/tests/testthat/test_pai.R b/tests/testthat/test_pai.R index 0d5264a..9d73b58 100644 --- a/tests/testthat/test_pai.R +++ b/tests/testthat/test_pai.R @@ -1,14 +1,17 @@ test_that("a pai object is correctly generated", { - skip_on_travis() # server certificate verification failed in curl_fetch_memory() - {glyphosate <- pai$new("glyphosate")} |> + + {glyphosate <- pai$new("glyphosate", rdkit = FALSE)} |> expect_message("Querying BCPC for glyphosate") |> - expect_message("Querying PubChem for inchikey ") |> - expect_message("Get chemical information from RDKit using PubChem SMILES") + 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")) -- cgit v1.2.3