diff options
Diffstat (limited to 'tests/testthat/test_pai.R')
| -rw-r--r-- | tests/testthat/test_pai.R | 6 |
1 files changed, 2 insertions, 4 deletions
diff --git a/tests/testthat/test_pai.R b/tests/testthat/test_pai.R index dd0b235..944ad04 100644 --- a/tests/testthat/test_pai.R +++ b/tests/testthat/test_pai.R @@ -1,6 +1,6 @@ context("Generation of pai objects") -glyphosate <- pai$new("glyphosate") +glyphosate <- pai$new("glyphosate", chyaml = FALSE) test_that("We can generate a pai object from its ISO common name", { expect_equivalent(glyphosate$alanwood$cas, "1071-83-6") @@ -19,7 +19,5 @@ test_that("RDKit information was added", { test_that("PubChem information was added via webchem", { expect_equivalent(round(glyphosate$mw, 2), 169.07) smiles <- "C(C(=O)O)NCP(=O)(O)O" - attr(smiles, "source") <- "pubchem" - attr(smiles, "type") <- "canonical" - expect_equal(glyphosate$smiles, smiles) + expect_equal(glyphosate$smiles[["PubChem_Canonical"]], smiles) }) |