diff options
Diffstat (limited to 'tests/testthat/test_chent.R')
| -rw-r--r-- | tests/testthat/test_chent.R | 6 |
1 files changed, 6 insertions, 0 deletions
diff --git a/tests/testthat/test_chent.R b/tests/testthat/test_chent.R index 28d120e..1fa0852 100644 --- a/tests/testthat/test_chent.R +++ b/tests/testthat/test_chent.R @@ -1,8 +1,14 @@ context("Generation of chent objects") +# Check if we can use RDKit +skip_if_no_rdkit <- function() { + if (!chents:::rdkit_available()) skip("RDKit is not available via PythonInR") +} + oct <- chent$new("1-octanol", smiles = "CCCCCCCCO", pubchem = FALSE, chyaml = FALSE) test_that("We can generate a chent object from SMILES using RDKit", { + skip_if_no_rdkit() expect_equivalent(round(oct$mw, 2), 130.23) expect_equal(names(oct$identifier), "X1.octanol") expect_equal(oct$smiles[["user"]], "CCCCCCCCO") |