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/reference/pai.html | 21 ++++++++++++++------- 1 file changed, 14 insertions(+), 7 deletions(-) (limited to 'docs/reference') 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"