diff options
| author | Johannes Ranke <jranke@uni-bremen.de> | 2015-09-28 21:34:23 +0200 |
|---|---|---|
| committer | Johannes Ranke <jranke@uni-bremen.de> | 2015-09-28 22:10:56 +0200 |
| commit | f908377f1de2e04ca3720d10084169c46a477ce2 (patch) | |
| tree | 439bd00dec3a988f76ff74fd5ee652f55b17d061 /inst/examples/octanol.R | |
| parent | 1df33dbb3d310f94ccddbf57906e12bd6fa93c3f (diff) | |
Several changes heading for a release to the public
- Add tests
- Add staticdocs
- Documentation improvements
- Several small code improvements
Diffstat (limited to 'inst/examples/octanol.R')
| -rw-r--r-- | inst/examples/octanol.R | 4 |
1 files changed, 4 insertions, 0 deletions
diff --git a/inst/examples/octanol.R b/inst/examples/octanol.R new file mode 100644 index 0000000..91e23cf --- /dev/null +++ b/inst/examples/octanol.R @@ -0,0 +1,4 @@ +oct <- chent$new("1-octanol", smiles = "CCCCCCCCO") +oct$try_pubchem() +print(oct) +plot(oct) |