From aac6606d2aee79e547f725353a42266c00ed2299 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Mon, 6 Mar 2017 14:52:04 +0100 Subject: Switch to pkgdown and link to pkgdown.jrwb.de --- docs/reference/plot.chent.html | 128 +++++++++++++++++++++++++++++++++++++++++ 1 file changed, 128 insertions(+) create mode 100644 docs/reference/plot.chent.html (limited to 'docs/reference/plot.chent.html') diff --git a/docs/reference/plot.chent.html b/docs/reference/plot.chent.html new file mode 100644 index 0000000..3cc23d9 --- /dev/null +++ b/docs/reference/plot.chent.html @@ -0,0 +1,128 @@ + + + + + + + + +Plot method for chent objects — plot.chent • chents + + + + + + + + + + + + + + + + + + + + + + + + +
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Plot method for chent objects

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+ + +

Plot method for chent objects

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

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+
x
+
The chent object to be plotted
+
...
+
Further arguments passed to grid.picture
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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>
+#> Identifier $identifier caffeine 
+#> InChI Key $inchikey RYYVLZVUVIJVGH-UHFFFAOYSA-N 
+#> SMILES string $smiles:
+#>              PubChem_Canonical 
+#> "CN1C=NC2=C1C(=O)N(C(=O)N2C)C" 
+#> Molecular weight $mw: 194.2 
+#> PubChem synonyms (up to 10):
+#>  [1] "2519"                    "caffeine"               
+#>  [3] "Guaranine"               "1,3,7-Trimethylxanthine"
+#>  [5] "Methyltheobromine"       "Cafeina"                
+#>  [7] "Thein"                   "Koffein"                
+#>  [9] "Mateina"                 "Theine"                 
plot(caffeine)
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+ + + -- cgit v1.2.1