diff options
Diffstat (limited to 'inst')
| -rw-r--r-- | inst/examples/chents.R | 3 |
1 files changed, 2 insertions, 1 deletions
diff --git a/inst/examples/chents.R b/inst/examples/chents.R index 7fb3286..0309e2b 100644 --- a/inst/examples/chents.R +++ b/inst/examples/chents.R @@ -1,2 +1,3 @@ -oct <- chent$new("1-octanol") +oct <- chent$new("1-octanol", smiles = "CCCCCCCCO") +oct$try_pubchem() print(oct) |