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authorJohannes Ranke <jranke@uni-bremen.de>2019-02-19 18:17:38 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2019-02-19 18:19:37 +0100
commit132bd73395033a95163080517b5a7c371cf512a2 (patch)
tree46f69d36bf47c1906f2b8876371121142d9984dd /tests/testthat
parentaa80ce4f46f9ff1a2851ba9ba873a55a8f6ebc6d (diff)
Fix check for rdkit availability
Also remove python-rdkit from the travis config as its version is too old on travis (Ubuntu trusty)
Diffstat (limited to 'tests/testthat')
-rw-r--r--tests/testthat/test_chent.R6
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")

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