From bfa20a8c262580e38d30cfa95e75d1b01b568d07 Mon Sep 17 00:00:00 2001
From: Johannes Ranke
oct <- chent$new("1-octanol", smiles = "CCCCCCCCO")#>#>#>#>#> #>#>#>-#>#>#>print(oct)#> <chent> +#>#>print(oct)#> <chent> #> Identifier $identifier 1-octanol #> InChI Key $inchikey KBPLFHHGFOOTCA-UHFFFAOYSA-N #> SMILES string $smiles: diff --git a/docs/reference/draw_svg.chent.html b/docs/reference/draw_svg.chent.html index 54fec7c..582aa0c 100644 --- a/docs/reference/draw_svg.chent.html +++ b/docs/reference/draw_svg.chent.html @@ -63,7 +63,7 @@diff --git a/docs/reference/index.html b/docs/reference/index.html index e05a1c4..f08563c 100644 --- a/docs/reference/index.html +++ b/docs/reference/index.html @@ -60,7 +60,7 @@ diff --git a/docs/reference/pai.html b/docs/reference/pai.html index d90bcc9..e240e11 100644 --- a/docs/reference/pai.html +++ b/docs/reference/pai.html @@ -64,7 +64,7 @@ Additional chemical information is retrieved from the internet if available." /> diff --git a/docs/reference/plot.chent.html b/docs/reference/plot.chent.html index 026c25f..fddd2e8 100644 --- a/docs/reference/plot.chent.html +++ b/docs/reference/plot.chent.html @@ -63,7 +63,7 @@ diff --git a/docs/reference/pp.html b/docs/reference/pp.html index 8dbed29..aa660cb 100644 --- a/docs/reference/pp.html +++ b/docs/reference/pp.html @@ -63,7 +63,7 @@ diff --git a/docs/reference/print.chent.html b/docs/reference/print.chent.html index 8ab91bc..8f0dd0d 100644 --- a/docs/reference/print.chent.html +++ b/docs/reference/print.chent.html @@ -63,7 +63,7 @@ diff --git a/docs/reference/print.pai.html b/docs/reference/print.pai.html index 7f8c6f3..add2687 100644 --- a/docs/reference/print.pai.html +++ b/docs/reference/print.pai.html @@ -63,7 +63,7 @@ -- cgit v1.2.1