From e7d3077065cd449b234a6b2338efd70a94f94fbd Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Fri, 19 Nov 2021 07:38:08 +0100 Subject: Better approach to skip bcpc on travis, update docs --- docs/index.html | 4 ++-- docs/pkgdown.yml | 2 +- docs/reference/pai.html | 21 ++++++++++++++------- 3 files changed, 17 insertions(+), 10 deletions(-) (limited to 'docs') diff --git a/docs/index.html b/docs/index.html index 5fadb0b..c64ae68 100644 --- a/docs/index.html +++ b/docs/index.html @@ -117,8 +117,8 @@

Dev status

diff --git a/docs/pkgdown.yml b/docs/pkgdown.yml index e09cce3..82e7ef8 100644 --- a/docs/pkgdown.yml +++ b/docs/pkgdown.yml @@ -2,5 +2,5 @@ pandoc: 2.9.2.1 pkgdown: 1.6.1 pkgdown_sha: ~ articles: {} -last_built: 2021-11-18T23:21Z +last_built: 2021-11-19T06:37Z diff --git a/docs/reference/pai.html b/docs/reference/pai.html index e5ecb99..0bb3399 100644 --- a/docs/reference/pai.html +++ b/docs/reference/pai.html @@ -197,10 +197,20 @@ Additional chemical information is retrieved from the internet if available.

Examples

- 
atr <- pai$new("atrazine")
+    
# On Travis, we get a certificate validation error,
+# likely because the system (xenial) is so old,
+# therefore don't run this example on Travis
+if (Sys.getenv("TRAVIS") == "") {
+
+atr <- pai$new("atrazine")
+print(atr)
+if (!is.null(atr$Picture)) {
+  plot(atr)
+}
+
+}
 
#> BCPC:
#> PubChem:
#> Trying to get chemical information from RDKit using PubChem_Canonical SMILES
-#> CCNC1=NC(=NC(=N1)Cl)NC(C)C
#> Did not find chyaml file ./atrazine.yaml
print(atr)
-
#> <pai> with ISO common name $iso atrazine 
+#> CCNC1=NC(=NC(=N1)Cl)NC(C)C
#> Did not find chyaml file ./atrazine.yaml
#> <pai> with ISO common name $iso atrazine 
 #> <chent>
 #> Identifier $identifier atrazine 
 #> InChI Key $inchikey MXWJVTOOROXGIU-UHFFFAOYSA-N 
@@ -210,10 +220,7 @@ Additional chemical information is retrieved from the internet if available.

 #> Molecular weight $mw: 215.7 
 #> PubChem synonyms (up to 10):
 #>  [1] "atrazine"     "1912-24-9"    "Gesaprim"     "Oleogesaprim" "Chromozin"   
-#>  [6] "Aktikon"      "Atrazin"      "Argezin"      "Atazinax"     "Atranex"     
if (!is.null(atr$Picture)) {
-  plot(atr)
-}
-

+#>  [6] "Aktikon"      "Atrazin"      "Argezin"      "Atazinax"     "Atranex"