% Generated by roxygen2: do not edit by hand
% Please edit documentation in R/chent.R
\name{pai}
\alias{pai}
\title{An R6 class for pesticidal active ingredients and associated data}
\format{
An \code{\link{R6Class}} generator object
}
\description{
This class is derived from \link{chent}. It makes it easy
to create a \link{chent} from the ISO common name of a pesticide active
ingredient, and additionally stores the ISO name as well as
the complete result of querying the BCPC compendium using
\link[webchem:bcpc_query]{bcpc_query}.
}
\examples{
# On Travis, we get a certificate validation error,
# likely because the system (xenial) is so old,
# therefore don't run this example on Travis
if (Sys.getenv("TRAVIS") == "") {
atr <- pai$new("atrazine")
print(atr)
if (!is.null(atr$Picture)) {
plot(atr)
}
}
}
\section{Super class}{
\code{\link[chents:chent]{chents::chent}} -> \code{pai}
}
\section{Public fields}{
\if{html}{\out{}}
\describe{
\item{\code{iso}}{ISO common name of the active ingredient according to ISO 1750}
\item{\code{bcpc}}{Information retrieved from the BCPC compendium available online
at
}
}
\if{html}{\out{Inherited methods
}}
\if{html}{\out{}}
\if{latex}{\out{\hypertarget{method-pai-new}{}}}
\subsection{Method \code{new()}}{
\subsection{Usage}{
\if{html}{\out{}}\preformatted{pai$new(
iso,
identifier = iso,
smiles = NULL,
inchikey = NULL,
bcpc = TRUE,
pubchem = TRUE,
pubchem_from = "auto",
rdkit = TRUE,
template = NULL,
chyaml = FALSE
)}\if{html}{\out{
}}
}
\subsection{Arguments}{
\if{html}{\out{}}
\describe{
\item{\code{iso}}{The ISO common name to be used in the query of the
BCPC compendium}
\item{\code{identifier}}{Alternative identifier used for querying pubchem}
\item{\code{smiles}}{Optional user provided SMILES code}
\item{\code{inchikey}}{Optional user provided InChI Key}
\item{\code{bcpc}}{Should the BCPC compendium be queried?}
\item{\code{pubchem}}{Should an attempt be made to retrieve chemical
information from PubChem via the webchem package?}
\item{\code{pubchem_from}}{Possibility to select the argument
that is used to query pubchem}
\item{\code{rdkit}}{Should an attempt be made to retrieve chemical
information from a local rdkit installation via python
and the reticulate package?}
\item{\code{template}}{An optional SMILES code to be used as template for RDKit}
\item{\code{chyaml}}{Should we look for a identifier.yaml file in the working}
}
\if{html}{\out{
}}
}
}
\if{html}{\out{
}}
\if{html}{\out{}}
\if{latex}{\out{\hypertarget{method-pai-clone}{}}}
\subsection{Method \code{clone()}}{
The objects of this class are cloneable with this method.
\subsection{Usage}{
\if{html}{\out{}}\preformatted{pai$clone(deep = FALSE)}\if{html}{\out{
}}
}
\subsection{Arguments}{
\if{html}{\out{}}
\describe{
\item{\code{deep}}{Whether to make a deep clone.}
}
\if{html}{\out{
}}
}
}
}