diff options
| author | Johannes Ranke <jranke@uni-bremen.de> | 2016-10-13 14:03:19 +0200 |
|---|---|---|
| committer | Johannes Ranke <jranke@uni-bremen.de> | 2016-10-13 14:03:19 +0200 |
| commit | 291337e920cc95510fce3c0cdcc62b4443cd3bc4 (patch) | |
| tree | 63bb8c45d014220427e8bc48250676655527698a /tests | |
| parent | 65c481910d65f6935b7f52450ea809586e71d384 (diff) | |
Fix retrieving pubchem infos for ambiguous names
Diffstat (limited to 'tests')
| -rw-r--r-- | tests/testthat/test_pai.R | 8 |
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", { |