diff options
Diffstat (limited to 'tests')
| -rw-r--r-- | tests/testthat/test_pai.R | 2 |
1 files changed, 1 insertions, 1 deletions
diff --git a/tests/testthat/test_pai.R b/tests/testthat/test_pai.R index a0b7704..de1f235 100644 --- a/tests/testthat/test_pai.R +++ b/tests/testthat/test_pai.R @@ -16,6 +16,6 @@ test_that("a pai object is correctly generated from an ambiguous name, with warn attr(ik, "source") <- c("alanwood", "pubchem") expect_equal(glyphosate$inchikey, ik) expect_equivalent(round(glyphosate$mw, 2), 169.07) - smiles <- "C(C(=O)O)[NH2+]CP(=O)(O)[O-]" + smiles <- "C(C(=O)O)NCP(=O)(O)O" expect_equal(glyphosate$smiles[["PubChem_Canonical"]], smiles) }) |