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| author | Johannes Ranke <jranke@uni-bremen.de> | 2020-10-13 15:10:03 +0200 |
|---|---|---|
| committer | Johannes Ranke <jranke@uni-bremen.de> | 2020-10-13 15:10:03 +0200 |
| commit | 898d598bcbb022ac767e0105e868798130f2c74c (patch) | |
| tree | 8a079442d27df08ed8ee7659f508f62e544f8b32 /tests/testthat/test_pai.R | |
| parent | 6937e41d317b953d8246203814500166dbe89470 (diff) | |
Adapt to changes in webchem
Unfortunately, tests only pass sometimes, it seems PubChem is not always
responding
Diffstat (limited to 'tests/testthat/test_pai.R')
| -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 de1f235..368876e 100644 --- a/tests/testthat/test_pai.R +++ b/tests/testthat/test_pai.R @@ -4,9 +4,9 @@ require(testthat) context("Generation of pai objects") -test_that("a pai object is correctly generated from an ambiguous name, with warning", { - expect_warning(glyphosate <- pai$new("glyphosate", chyaml = FALSE)) - expect_warning(pai$new("benzalkonium chloride", chyaml = FALSE)) +test_that("a pai object is correctly generated from an ambiguous name", { + glyphosate <- pai$new("glyphosate", chyaml = FALSE) + expect_message(pai$new("benzalkonium chloride", chyaml = FALSE), "did not give results") expect_equivalent(glyphosate$alanwood$cas, "1071-83-6") expect_equivalent(glyphosate$alanwood$formula, "C3H8NO5P") @@ -15,7 +15,7 @@ test_that("a pai object is correctly generated from an ambiguous name, with warn ik = "XDDAORKBJWWYJS-UHFFFAOYSA-N" attr(ik, "source") <- c("alanwood", "pubchem") expect_equal(glyphosate$inchikey, ik) - expect_equivalent(round(glyphosate$mw, 2), 169.07) + expect_equivalent(round(glyphosate$mw, 2), 169.07) smiles <- "C(C(=O)O)NCP(=O)(O)O" expect_equal(glyphosate$smiles[["PubChem_Canonical"]], smiles) }) |