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| author | Johannes Ranke <jranke@uni-bremen.de> | 2015-09-11 10:04:54 +0200 |
|---|---|---|
| committer | Johannes Ranke <jranke@uni-bremen.de> | 2015-09-11 10:05:58 +0200 |
| commit | 1df33dbb3d310f94ccddbf57906e12bd6fa93c3f (patch) | |
| tree | 5d4d364836a0a847b74cee8c8c2bd88d7e6c94b4 /inst | |
| parent | 7cc5df2ad1e2a1aa5c6d4d9f5865491c6b30ee2a (diff) | |
Working version with basic functionality
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) |