From ae755fbb06c3dda0740e9bb9323fbdfe3f2788a4 Mon Sep 17 00:00:00 2001
From: Johannes Ranke <jranke@uni-bremen.de>
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/chent.Rd | 20 +++++++++++++++++---
 man/pai.Rd   | 13 ++++++++++---
 2 files changed, 27 insertions(+), 6 deletions(-)

(limited to 'man')

diff --git a/man/chent.Rd b/man/chent.Rd
index a1a5fe8..d94452e 100644
--- a/man/chent.Rd
+++ b/man/chent.Rd
@@ -9,7 +9,20 @@ An \code{\link{R6Class}} generator object
 \description{
 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 and configured for use with PythonInR.
+python bindings are installed.
+}
+\examples{
+oct <- chent$new("1-octanol", smiles = "CCCCCCCCO")
+print(oct)
+if (!is.null(oct$Picture)) {
+  plot(oct)
+}
+
+caffeine <- chent$new("caffeine")
+print(caffeine)
+if (!is.null(caffeine$Picture)) {
+  plot(caffeine)
+}
 }
 \keyword{data}
 \section{Public fields}{
@@ -25,8 +38,9 @@ python bindings are installed and configured for use with PythonInR.
 
 \item{\code{pubchem}}{List of information retreived from PubChem}
 
-\item{\code{rdkit}}{List of information obtained with RDKit, if installed and
-configured for use with PythonInR}
+\item{\code{rdkit}}{List of information obtained with RDKit}
+
+\item{\code{mol}}{<rdkit.Chem.rdchem.Mol> object}
 
 \item{\code{svg}}{SVG code}
 
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{<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,
-- 
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