aboutsummaryrefslogtreecommitdiff
path: root/man
diff options
context:
space:
mode:
authorJohannes Ranke <jranke@uni-bremen.de>2015-10-16 15:35:33 +0200
committerJohannes Ranke <jranke@uni-bremen.de>2015-10-16 15:35:33 +0200
commit26748e386a386f8459edb4f061012f099d34de7d (patch)
tree554f7fb173a8e86b49c8be8711d68ea3fbad4d30 /man
parenta892d1dc3c2a3724063f4d671f7f261ff5392884 (diff)
Some improvements, especially in loading chyaml
Diffstat (limited to 'man')
-rw-r--r--man/chent.Rd8
-rw-r--r--man/plot.chent.Rd3
2 files changed, 6 insertions, 5 deletions
diff --git a/man/chent.Rd b/man/chent.Rd
index da68b56..00516b9 100644
--- a/man/chent.Rd
+++ b/man/chent.Rd
@@ -29,15 +29,17 @@ python bindings are installed.
\item{\code{rdkit}}{List of information obtained with RDKit}
\item{\code{Picture}}{Graph as a \code{\link{picture}} object obtained using grImport}
+
+\item{\code{chyaml}}{List of information obtained from a YAML file}
+
+\item{\code{degradation}}{List of degradation endpoints}
}}
\examples{
oct <- chent$new("1-octanol", smiles = "CCCCCCCCO")
-oct$try_pubchem()
print(oct)
plot(oct)
-caffeine <- chent$new("caffeine", source = "pubchem")
+caffeine <- chent$new("caffeine")
print(caffeine)
-caffeine$get_rdkit()
plot(caffeine)
}
\keyword{data}
diff --git a/man/plot.chent.Rd b/man/plot.chent.Rd
index f2e7572..3fd2ac6 100644
--- a/man/plot.chent.Rd
+++ b/man/plot.chent.Rd
@@ -15,9 +15,8 @@
Plot method for chent objects
}
\examples{
-caffeine <- chent$new("caffeine", source = "pubchem")
+caffeine <- chent$new("caffeine")
print(caffeine)
-caffeine$get_rdkit()
plot(caffeine)
}

Contact - Imprint