diff options
author | Johannes Ranke <jranke@uni-bremen.de> | 2021-11-18 23:03:16 +0100 |
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committer | Johannes Ranke <jranke@uni-bremen.de> | 2021-11-18 23:03:16 +0100 |
commit | ae755fbb06c3dda0740e9bb9323fbdfe3f2788a4 (patch) | |
tree | 83775c62311c2b9dde8d5e9b4283cfd03b2d2b60 /man/pai.Rd | |
parent | 898d598bcbb022ac767e0105e868798130f2c74c (diff) |
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.
Diffstat (limited to 'man/pai.Rd')
-rw-r--r-- | man/pai.Rd | 13 |
1 files changed, 10 insertions, 3 deletions
@@ -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{<div class="r6-fields">}} \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{</div>}} } @@ -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, |