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-rw-r--r--tests/testthat/test_chent.R4
1 files changed, 2 insertions, 2 deletions
diff --git a/tests/testthat/test_chent.R b/tests/testthat/test_chent.R
index 1fa0852..094ff8b 100644
--- a/tests/testthat/test_chent.R
+++ b/tests/testthat/test_chent.R
@@ -9,14 +9,14 @@ oct <- chent$new("1-octanol", smiles = "CCCCCCCCO", pubchem = FALSE, chyaml = FA
test_that("We can generate a chent object from SMILES using RDKit", {
skip_if_no_rdkit()
- expect_equivalent(round(oct$mw, 2), 130.23)
+ expect_equivalent(round(oct$mw, 2), 130.23)
expect_equal(names(oct$identifier), "X1.octanol")
expect_equal(oct$smiles[["user"]], "CCCCCCCCO")
})
test_that("We can add information retrieved from PubChem via webchem", {
oct$try_pubchem()
- expect_equivalent(round(oct$mw, 2), 130.23)
+ expect_equivalent(round(oct$mw, 2), 130.23)
ik = "KBPLFHHGFOOTCA-UHFFFAOYSA-N"
attr(ik, "source") <- "pubchem"
expect_equal(oct$inchikey, ik)

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