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author | Johannes Ranke <jranke@uni-bremen.de> | 2015-10-16 15:35:33 +0200 |
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committer | Johannes Ranke <jranke@uni-bremen.de> | 2015-10-16 15:35:33 +0200 |
commit | 26748e386a386f8459edb4f061012f099d34de7d (patch) | |
tree | 554f7fb173a8e86b49c8be8711d68ea3fbad4d30 /tests/testthat/test_pai.R | |
parent | a892d1dc3c2a3724063f4d671f7f261ff5392884 (diff) |
Some improvements, especially in loading chyaml
Diffstat (limited to 'tests/testthat/test_pai.R')
-rw-r--r-- | tests/testthat/test_pai.R | 6 |
1 files changed, 2 insertions, 4 deletions
diff --git a/tests/testthat/test_pai.R b/tests/testthat/test_pai.R index dd0b235..944ad04 100644 --- a/tests/testthat/test_pai.R +++ b/tests/testthat/test_pai.R @@ -1,6 +1,6 @@ context("Generation of pai objects") -glyphosate <- pai$new("glyphosate") +glyphosate <- pai$new("glyphosate", chyaml = FALSE) test_that("We can generate a pai object from its ISO common name", { expect_equivalent(glyphosate$alanwood$cas, "1071-83-6") @@ -19,7 +19,5 @@ test_that("RDKit information was added", { test_that("PubChem information was added via webchem", { expect_equivalent(round(glyphosate$mw, 2), 169.07) smiles <- "C(C(=O)O)NCP(=O)(O)O" - attr(smiles, "source") <- "pubchem" - attr(smiles, "type") <- "canonical" - expect_equal(glyphosate$smiles, smiles) + expect_equal(glyphosate$smiles[["PubChem_Canonical"]], smiles) }) |