From 816de01ce642c1c3d633ffb1cbcf960036d27114 Mon Sep 17 00:00:00 2001 From: Ranke Johannes Date: Fri, 10 Nov 2023 18:40:34 +0100 Subject: Make an RStudio project and improve the docs --- docs/reference/plot.chent.html | 190 ++++++++++++++--------------------------- 1 file changed, 62 insertions(+), 128 deletions(-) (limited to 'docs/reference/plot.chent.html') diff --git a/docs/reference/plot.chent.html b/docs/reference/plot.chent.html index 62bf38f..470ce79 100644 --- a/docs/reference/plot.chent.html +++ b/docs/reference/plot.chent.html @@ -1,67 +1,12 @@ - - - - - - - -Plot method for chent objects — plot.chent • chents - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -Plot method for chent objects — plot.chent • chents - + + - - - -
-
- -
- -
+
@@ -117,68 +49,70 @@

Plot method for chent objects

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

Arguments

- - - - - - - - - - -
x

The chent object to be plotted

...

Further arguments passed to grid.picture

- - -

Examples

-
caffeine <- chent$new("caffeine") -
#> PubChem:
#> 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 $mw: 194.2 -#> PubChem synonyms (up to 10): -#> [1] "caffeine" "58-08-2" -#> [3] "1,3,7-Trimethylxanthine" "Guaranine" -#> [5] "Thein" "Methyltheobromine" -#> [7] "Cafeina" "Theine" -#> [9] "Koffein" "Mateina"
if (!is.null(caffeine$Picture)) { - plot(caffeine) -} -
+
+
# S3 method for chent
+plot(x, ...)
+
+ +
+

Arguments

+
x
+

The chent object to be plotted

+ + +
...
+

Further arguments passed to grid.picture

+ +
+ +
+

Examples

+
caffeine <- chent$new("caffeine")
+#> PubChem:
+#> 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 $mw: 194.2 
+#> PubChem synonyms (up to 10):
+#>  [1] "caffeine"                "58-08-2"                
+#>  [3] "Guaranine"               "1,3,7-Trimethylxanthine"
+#>  [5] "Methyltheobromine"       "Theine"                 
+#>  [7] "Thein"                   "Cafeina"                
+#>  [9] "Koffein"                 "Mateina"                
+if (!is.null(caffeine$Picture)) {
+  plot(caffeine)
+}
+
+
+
+
- - - + + -- cgit v1.2.1