From aa80ce4f46f9ff1a2851ba9ba873a55a8f6ebc6d Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 19 Feb 2019 17:17:48 +0100 Subject: Change package URL to github to get source code links --- docs/reference/plot.chent.html | 68 ++++++++++++++++++++++++++++-------------- 1 file changed, 46 insertions(+), 22 deletions(-) (limited to 'docs/reference/plot.chent.html') diff --git a/docs/reference/plot.chent.html b/docs/reference/plot.chent.html index cc3b96b..cde7a87 100644 --- a/docs/reference/plot.chent.html +++ b/docs/reference/plot.chent.html @@ -1,6 +1,6 @@ - + @@ -9,30 +9,37 @@ Plot method for chent objects — plot.chent • chents - + - - + + - + - + + + + - - - + + + + + + - + + @@ -78,20 +96,24 @@ -
+

Plot method for chent objects

+ Source: R/chent.R +
+

Plot method for chent objects

+ 
# S3 method for chent
-plot(x, ...)
+plot(x, ...) -

Arguments

+

Arguments

@@ -107,7 +129,7 @@

Examples

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>
+#> 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 
 #> SMILES string $smiles:
@@ -116,10 +138,10 @@
 #> Molecular weight $mw: 194.2 
 #> PubChem synonyms (up to 10):
 #>  [1] "2519"                    "caffeine"               
-#>  [3] "1,3,7-Trimethylxanthine" "58-08-2"                
-#>  [5] "Guaranine"               "Thein"                  
+#>  [3] "58-08-2"                 "Guaranine"              
+#>  [5] "1,3,7-Trimethylxanthine" "Thein"                  
 #>  [7] "Cafeina"                 "Methyltheobromine"      
-#>  [9] "Koffein"                 "Mateina"                
plot(caffeine)
+#> [9] "Koffein" "Mateina"
plot(caffeine)
-

Site built with pkgdown.

+

Site built with pkgdown 1.3.0.

- + + + -- cgit v1.2.1