document on pr #140

ropensci · Jan 15, 2018 · d331842 · d331842
1 parent 3a77b2f
commit d331842
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Showing 4 changed files with 12 additions and 15 deletions.
diff --git a/.travis.yml b/.travis.yml
@@ -20,11 +20,7 @@ addons:
     packages:
     - libcurl4-openssl-dev
     - libxml2-dev
-    - oracle-java8-installer
-
-before_install:
-  - jdk_switcher use oraclejdk8
-  - java -version
+    - r-cran-rjava
 
 r_packages:
   - devtools

diff --git a/DESCRIPTION b/DESCRIPTION
@@ -3,8 +3,8 @@ Title: Chemical Information from the Web
 Description: Chemical information from around the web. This package interacts
     with a suite of web APIs for chemical information.
 Type: Package
-Version: 0.3.0.9000
-Date: 2017-10-20
+Version: 0.3.0.9001
+Date: 2018-01-15
 License: MIT + file LICENSE
 URL: https://github.com/ropensci/webchem
 BugReports: https://github.com/ropensci/webchem/issues
@@ -13,7 +13,8 @@ Authors@R: c(person("Eduard", "Szöcs", role = c("aut", "cre"),
     person("Daniel", "Muench", role = "ctb"),
     person("Johannes", "Ranke", role = "ctb"),
     person("Eric", "Scott", role = "ctb"),
-    person("Jan", "Stanstrup", role = "ctb"))
+    person("Jan", "Stanstrup", role = "ctb"),
+    person("Robert", "Allaway", role = "ctb"))
 Maintainer: Eduard Szöcs <eduardszoecs@gmail.com>
 LazyLoad: yes
 LazyData: yes

diff --git a/NEWS b/NEWS
@@ -11,6 +11,7 @@ BUG FIXES
 * extr_num() did not work properly with decimal numbers [issue #136, reported and fixed by @stanstrup]
 * cs_prop() failed when epi-suite data was not available [issue #139, reported and fixed by @stanstrup]
 * cs_prop() failed with invalid html [issue #138, reported and fixed by @stanstrup]
+* is.smiles() failed because of changes in rcdk [PR #140, reported and fixed by @allaway]
 
 DEPRECATED FUNCTIONS
 

diff --git a/tests/testthat/test-utils.R b/tests/testthat/test-utils.R
@@ -39,14 +39,13 @@ test_that("is.inchikey() returns correct results", {
 })
 
 
+test_that("is.smiles() returns correct results", {
+  skip_on_cran()
 
-# test_that("is.smiles() returns correct results", {
-#   skip_on_cran()
-#
-#   expect_true(is.smiles('Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl'))
-#   expect_false(is.smiles('Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)ClWWX'))
-#   expect_error(is.smiles(c('Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl', 'Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl')))
-# })
+  expect_true(is.smiles('Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl'))
+  expect_false(is.smiles('Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)ClWWX'))
+  expect_error(is.smiles(c('Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl', 'Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl')))
+})
 
 test_that("extr_num() returns correct results", {
   skip_on_cran()