From b883e6075bd76f979fbffdb768313665681315a0 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 19 Feb 2019 20:17:59 +0100 Subject: Only plot when a Picture object is there grConvert is not needed for plotting --- docs/reference/chent.html | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) (limited to 'docs/reference/chent.html') diff --git a/docs/reference/chent.html b/docs/reference/chent.html index 1608eb0..e2853cc 100644 --- a/docs/reference/chent.html +++ b/docs/reference/chent.html @@ -159,9 +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"
if (requireNamespace("grConvert")) { +#> [9] "caprylic alcohol" "n-Octyl alcohol"
if (!is.null(caffeine$Picture)) { plot(oct) -}
caffeine <- chent$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 +}
#> Error in eval(expr, envir, enclos): Objekt 'caffeine' nicht gefunden
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 @@ -174,7 +174,7 @@ configured for use with PythonInR

#> [3] "58-08-2" "Guaranine" #> [5] "1,3,7-Trimethylxanthine" "Thein" #> [7] "Cafeina" "Methyltheobromine" -#> [9] "Koffein" "Mateina"
if (requireNamespace("grConvert")) { +#> [9] "Koffein" "Mateina"
if (!is.null(caffeine$Picture)) { plot(caffeine) }
-- cgit v1.2.1