From 95a067f0ed8fb580cc3652acd4c7885eb000244a Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 19 Feb 2019 18:55:27 +0100 Subject: Skip plotting in examples if grConvert is missing --- docs/reference/chent.html | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) (limited to 'docs/reference/chent.html') diff --git a/docs/reference/chent.html b/docs/reference/chent.html index aa367f6..1608eb0 100644 --- a/docs/reference/chent.html +++ b/docs/reference/chent.html @@ -159,7 +159,9 @@ configured for use with PythonInR

#> PubChem synonyms (up to 10): #> [1] "957" "1-octanol" "Octan-1-ol" "octanol" #> [5] "111-87-5" "N-octanol" "Capryl alcohol" "Octyl alcohol" -#> [9] "caprylic alcohol" "n-Octyl alcohol"
plot(oct)
caffeine <- chent$new("caffeine")
#> PubChem:
#> https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/cids/JSON
#> https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight,CanonicalSMILES,IsomericSMILES,InChI,InChIKey,IUPACName,XLogP,TPSA,Complexity,Charge,HBondDonorCount,HBondAcceptorCount/JSON
#> https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON
#> Trying to get chemical information from RDKit using PubChem_Canonical SMILES +#> [9] "caprylic alcohol" "n-Octyl alcohol"
if (requireNamespace("grConvert")) { + plot(oct) +}
caffeine <- chent$new("caffeine")
#> PubChem:
#> https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/cids/JSON
#> https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight,CanonicalSMILES,IsomericSMILES,InChI,InChIKey,IUPACName,XLogP,TPSA,Complexity,Charge,HBondDonorCount,HBondAcceptorCount/JSON
#> https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON
#> Trying to get chemical information from RDKit using PubChem_Canonical SMILES #> CN1C=NC2=C1C(=O)N(C(=O)N2C)C
#> Did not find chyaml file ./caffeine.yaml
print(caffeine)
#> <chent> #> Identifier $identifier caffeine #> InChI Key $inchikey RYYVLZVUVIJVGH-UHFFFAOYSA-N @@ -172,7 +174,9 @@ configured for use with PythonInR

#> [3] "58-08-2" "Guaranine" #> [5] "1,3,7-Trimethylxanthine" "Thein" #> [7] "Cafeina" "Methyltheobromine" -#> [9] "Koffein" "Mateina"
plot(caffeine)
+#> [9] "Koffein" "Mateina"
if (requireNamespace("grConvert")) { + plot(caffeine) +}