From 26748e386a386f8459edb4f061012f099d34de7d Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Fri, 16 Oct 2015 15:35:33 +0200 Subject: Some improvements, especially in loading chyaml --- man/chent.Rd | 8 +++++--- man/plot.chent.Rd | 3 +-- 2 files changed, 6 insertions(+), 5 deletions(-) (limited to 'man') 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) } -- cgit v1.2.1