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| author | Johannes Ranke <johannes.ranke@jrwb.de> | 2026-03-05 15:57:01 +0100 |
|---|---|---|
| committer | Johannes Ranke <johannes.ranke@jrwb.de> | 2026-03-05 15:57:01 +0100 |
| commit | 525269a9f663d02546e2de22ddd79294cc246f57 (patch) | |
| tree | 272dba1410a24072aa1dc0a9d9edee467a22ddd9 /docs/reference/plot.chent.md | |
| parent | abe52f193a71403dcb3e6e71b2f89d215652c5f0 (diff) | |
Rebuild docs
Diffstat (limited to 'docs/reference/plot.chent.md')
| -rw-r--r-- | docs/reference/plot.chent.md | 51 |
1 files changed, 51 insertions, 0 deletions
diff --git a/docs/reference/plot.chent.md b/docs/reference/plot.chent.md new file mode 100644 index 0000000..eaa6817 --- /dev/null +++ b/docs/reference/plot.chent.md @@ -0,0 +1,51 @@ +# Plot method for chent objects + +Plot method for chent objects + +## Usage + +``` r +# S3 method for class 'chent' +plot(x, ...) +``` + +## Arguments + +- x: + + The chent object to be plotted + +- ...: + + Further arguments passed to + [grImport::grid.picture](https://rdrr.io/pkg/grImport/man/grid.picture.html) + +## Examples + +``` r +# Don't run examples per default, as PubChem may be unavailable +# \dontrun{ +caffeine <- chent$new("caffeine") +#> Querying PubChem for name caffeine ... +#> Get chemical information from RDKit using PubChem SMILES +#> CN1C=NC2=C1C(=O)N(C(=O)N2C)C +print(caffeine) +#> <chent> +#> Identifier $identifier caffeine +#> InChI Key $inchikey RYYVLZVUVIJVGH-UHFFFAOYSA-N +#> SMILES string $smiles: +#> PubChem +#> "CN1C=NC2=C1C(=O)N(C(=O)N2C)C" +#> Molecular weight $mw: 194.2 +#> PubChem synonyms (up to 10): +#> [1] "caffeine" "58-08-2" +#> [3] "Guaranine" "1,3,7-Trimethylxanthine" +#> [5] "Methyltheobromine" "Theine" +#> [7] "Thein" "Cafeina" +#> [9] "Caffein" "Cafipel" +if (!is.null(caffeine$Picture)) { + plot(caffeine) +} + +# } +``` |
