diff options
Diffstat (limited to 'tests/testthat/test_pai.R')
| -rw-r--r-- | tests/testthat/test_pai.R | 8 |
1 files changed, 4 insertions, 4 deletions
diff --git a/tests/testthat/test_pai.R b/tests/testthat/test_pai.R index 368876e..e22b6ae 100644 --- a/tests/testthat/test_pai.R +++ b/tests/testthat/test_pai.R @@ -8,12 +8,12 @@ test_that("a pai object is correctly generated from an ambiguous name", { glyphosate <- pai$new("glyphosate", chyaml = FALSE) expect_message(pai$new("benzalkonium chloride", chyaml = FALSE), "did not give results") - expect_equivalent(glyphosate$alanwood$cas, "1071-83-6") - expect_equivalent(glyphosate$alanwood$formula, "C3H8NO5P") - expect_equivalent(glyphosate$alanwood$iupac_name, "N-(phosphonomethyl)glycine") + expect_equivalent(glyphosate$bcpc$cas, "1071-83-6") + expect_equivalent(glyphosate$bcpc$formula, "C3H8NO5P") + expect_equivalent(glyphosate$bcpc$iupac_name, "N-(phosphonomethyl)glycine") expect_equal(names(glyphosate$identifier), "glyphosate") ik = "XDDAORKBJWWYJS-UHFFFAOYSA-N" - attr(ik, "source") <- c("alanwood", "pubchem") + attr(ik, "source") <- c("bcpc", "pubchem") expect_equal(glyphosate$inchikey, ik) expect_equivalent(round(glyphosate$mw, 2), 169.07) smiles <- "C(C(=O)O)NCP(=O)(O)O" |