From bfa20a8c262580e38d30cfa95e75d1b01b568d07 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 19 Feb 2019 23:19:31 +0100 Subject: Use rsvg instead of grConvert as grConvert is not on CRAN --- docs/reference/chent.html | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) (limited to 'docs/reference/chent.html') diff --git a/docs/reference/chent.html b/docs/reference/chent.html index 369b0a0..3d0928c 100644 --- a/docs/reference/chent.html +++ b/docs/reference/chent.html @@ -65,7 +65,7 @@ python bindings are installed and configured for use with PythonInR." /> chents - 0.2.6 + 0.2.7 @@ -149,7 +149,7 @@ configured for use with PythonInR

oct <- chent$new("1-octanol", smiles = "CCCCCCCCO")
#> 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
#> 
 #> Initialize Python Version 2.7.13 (default, Sep 26 2018, 18:42:22) 
 #> [GCC 6.3.0 20170516]
#> Trying to get chemical information from RDKit using User SMILES
-#> CCCCCCCCO
#> Lade nötigen Namensraum: grConvert
#> Did not find chyaml file ./1-octanol.yaml
print(oct)
#> <chent>
+#> CCCCCCCCO
#> Did not find chyaml file ./1-octanol.yaml
print(oct)
#> <chent>
 #> Identifier $identifier 1-octanol 
 #> InChI Key $inchikey KBPLFHHGFOOTCA-UHFFFAOYSA-N 
 #> SMILES string $smiles:
-- 
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