From 1df33dbb3d310f94ccddbf57906e12bd6fa93c3f Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Fri, 11 Sep 2015 10:04:54 +0200 Subject: Working version with basic functionality --- man/chent.Rd | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) (limited to 'man/chent.Rd') 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} -- cgit v1.2.1