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author | Johannes Ranke <jranke@uni-bremen.de> | 2015-09-11 10:04:54 +0200 |
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committer | Johannes Ranke <jranke@uni-bremen.de> | 2015-09-11 10:05:58 +0200 |
commit | 1df33dbb3d310f94ccddbf57906e12bd6fa93c3f (patch) | |
tree | 5d4d364836a0a847b74cee8c8c2bd88d7e6c94b4 /man/chent.Rd | |
parent | 7cc5df2ad1e2a1aa5c6d4d9f5865491c6b30ee2a (diff) |
Working version with basic functionality
Diffstat (limited to 'man/chent.Rd')
-rw-r--r-- | man/chent.Rd | 5 |
1 files changed, 4 insertions, 1 deletions
diff --git a/man/chent.Rd b/man/chent.Rd index ed304f5..c42863d 100644 --- a/man/chent.Rd +++ b/man/chent.Rd @@ -24,9 +24,12 @@ from the internet. \item{\code{mw}}{Molecular weight, with attribute 'source'} \item{\code{pubchem}}{List of information retreived from PubChem} + +\item{\code{rdkit}}{List of information obtained with RDKit} }} \examples{ -oct <- chent$new("1-octanol") +oct <- chent$new("1-octanol", smiles = "CCCCCCCCO") +oct$try_pubchem() print(oct) } \keyword{data} |