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-rw-r--r--man/chent.Rd12
1 files changed, 10 insertions, 2 deletions
diff --git a/man/chent.Rd b/man/chent.Rd
index c42863d..da68b56 100644
--- a/man/chent.Rd
+++ b/man/chent.Rd
@@ -9,8 +9,9 @@
chent
}
\description{
-The class is initialised with an identifier. Chemical information is retrieved
-from the internet.
+The class is initialised with an identifier. Chemical information is retrieved from
+the internet. Additionally, it can be generated using RDKit if RDKit and its
+python bindings are installed.
}
\section{Fields}{
@@ -26,11 +27,18 @@ from the internet.
\item{\code{pubchem}}{List of information retreived from PubChem}
\item{\code{rdkit}}{List of information obtained with RDKit}
+
+\item{\code{Picture}}{Graph as a \code{\link{picture}} object obtained using grImport}
}}
\examples{
oct <- chent$new("1-octanol", smiles = "CCCCCCCCO")
oct$try_pubchem()
print(oct)
+plot(oct)
+caffeine <- chent$new("caffeine", source = "pubchem")
+print(caffeine)
+caffeine$get_rdkit()
+plot(caffeine)
}
\keyword{data}

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