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authorJohannes Ranke <jranke@uni-bremen.de>2016-10-13 14:03:19 +0200
committerJohannes Ranke <jranke@uni-bremen.de>2016-10-13 14:03:19 +0200
commit291337e920cc95510fce3c0cdcc62b4443cd3bc4 (patch)
tree63bb8c45d014220427e8bc48250676655527698a /tests
parent65c481910d65f6935b7f52450ea809586e71d384 (diff)
Fix retrieving pubchem infos for ambiguous names
Diffstat (limited to 'tests')
-rw-r--r--tests/testthat/test_pai.R8
1 files changed, 4 insertions, 4 deletions
diff --git a/tests/testthat/test_pai.R b/tests/testthat/test_pai.R
index 944ad04..1718a9a 100644
--- a/tests/testthat/test_pai.R
+++ b/tests/testthat/test_pai.R
@@ -1,8 +1,8 @@
context("Generation of pai objects")
glyphosate <- pai$new("glyphosate", chyaml = FALSE)
-
-test_that("We can generate a pai object from its ISO common name", {
+
+test_that("a pai object is generated from its ISO common name", {
expect_equivalent(glyphosate$alanwood$cas, "1071-83-6")
expect_equivalent(glyphosate$alanwood$formula, "C3H8NO5P")
expect_equivalent(glyphosate$alanwood$iupac_name, "N-(phosphonomethyl)glycine")
@@ -12,8 +12,8 @@ test_that("We can generate a pai object from its ISO common name", {
expect_equal(glyphosate$inchikey, ik)
})
-test_that("RDKit information was added", {
- expect_equivalent(glyphosate$rdkit$mw, 169.073)
+test_that("a pai object is generated from an ambiguous name", {
+ deltamethrin <- pai$new("deltamethrin", chyaml = FALSE)
})
test_that("PubChem information was added via webchem", {

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