From ae755fbb06c3dda0740e9bb9323fbdfe3f2788a4 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 18 Nov 2021 23:03:16 +0100 Subject: Use reticulate instead of PythonInR, alanwood has moved Because the pesticide compendium at alanwood.net has moved to bcpc.org, we need to depend on a development branch of webchem at the moment. --- man/pai.Rd | 13 ++++++++++--- 1 file changed, 10 insertions(+), 3 deletions(-) (limited to 'man/pai.Rd') diff --git a/man/pai.Rd b/man/pai.Rd index 6a243ab..c27a8f5 100644 --- a/man/pai.Rd +++ b/man/pai.Rd @@ -11,6 +11,13 @@ An \code{\link{R6Class}} generator object The class is initialised with an identifier which is generally an ISO common name. Additional chemical information is retrieved from the internet if available. } +\examples{ +atr <- pai$new("atrazine") +print(atr) +if (!is.null(atr$Picture)) { + plot(atr) +} +} \keyword{data} \section{Super class}{ \code{\link[chents:chent]{chents::chent}} -> \code{pai} @@ -18,9 +25,9 @@ Additional chemical information is retrieved from the internet if available. \section{Public fields}{ \if{html}{\out{
}} \describe{ -\item{\code{iso}}{ISO common name according to ISO 1750 as retreived from www.alanwood.net/pesticides} +\item{\code{iso}}{ISO common name according to ISO 1750 as retreived from pesticidecompendium.bcpc.org} -\item{\code{alanwood}}{List of information retreived from www.alanwood.net/pesticides} +\item{\code{bcpc}}{List of information retrieved from pesticidecompendium.bcpc.org} } \if{html}{\out{
}} } @@ -64,7 +71,7 @@ Additional chemical information is retrieved from the internet if available. smiles_source = "user", inchikey = NULL, inchikey_source = "user", - alanwood = TRUE, + bcpc = TRUE, pubchem = TRUE, pubchem_from = "auto", rdkit = TRUE, -- cgit v1.2.1