From 26748e386a386f8459edb4f061012f099d34de7d Mon Sep 17 00:00:00 2001
From: Johannes Ranke <jranke@uni-bremen.de>
Date: Fri, 16 Oct 2015 15:35:33 +0200
Subject: Some improvements, especially in loading chyaml

---
 tests/testthat/test_chent.R | 9 +++------
 tests/testthat/test_pai.R   | 6 ++----
 2 files changed, 5 insertions(+), 10 deletions(-)

(limited to 'tests')

diff --git a/tests/testthat/test_chent.R b/tests/testthat/test_chent.R
index da018c5..28d120e 100644
--- a/tests/testthat/test_chent.R
+++ b/tests/testthat/test_chent.R
@@ -1,11 +1,11 @@
 context("Generation of chent objects")
 
-oct <- chent$new("1-octanol", smiles = "CCCCCCCCO")
+oct <- chent$new("1-octanol", smiles = "CCCCCCCCO", pubchem = FALSE, chyaml = FALSE)
 
 test_that("We can generate a chent object from SMILES using RDKit", {
   expect_equivalent(round(oct$mw, 2), 130.23) 
   expect_equal(names(oct$identifier), "X1.octanol")
-  expect_equal(oct$smiles, "CCCCCCCCO")
+  expect_equal(oct$smiles[["user"]], "CCCCCCCCO")
 })
 
 test_that("We can add information retrieved from PubChem via webchem", {
@@ -14,8 +14,5 @@ test_that("We can add information retrieved from PubChem via webchem", {
   ik = "KBPLFHHGFOOTCA-UHFFFAOYSA-N"
   attr(ik, "source") <- "pubchem"
   expect_equal(oct$inchikey, ik)
-  smiles <- "CCCCCCCCO"
-  attr(smiles, "source") <- "pubchem"
-  attr(smiles, "type") <- "canonical"
-  expect_equal(oct$smiles, smiles)
+  expect_equal(oct$smiles[["PubChem_Canonical"]], "CCCCCCCCO")
 })
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)
 })
-- 
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