From 88027b7a70510b48bd7525ffcd536f0808d263e7 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Fri, 3 Jul 2026 11:51:32 +0200 Subject: Improve description with README text Also, read the description into the Readme to have them in sync and update docs with roxygen 8. --- man/pai.Rd | 145 +++++++++++++++++++++++++++++-------------------------------- 1 file changed, 69 insertions(+), 76 deletions(-) (limited to 'man/pai.Rd') diff --git a/man/pai.Rd b/man/pai.Rd index 2f94b90..cbd4104 100644 --- a/man/pai.Rd +++ b/man/pai.Rd @@ -27,53 +27,52 @@ print(decanol) } } \section{Super class}{ -\code{\link[chents:chent]{chents::chent}} -> \code{pai} +\code{\link[chents:chent]{chent}} -> \code{pai} } \section{Public fields}{ -\if{html}{\out{
}} -\describe{ -\item{\code{iso}}{ISO common name of the active ingredient according to ISO 1750} + \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 + \item{\code{bcpc}}{Information retrieved from the BCPC compendium available online at } -} -\if{html}{\out{
}} + } + \if{html}{\out{
}} } \section{Methods}{ \subsection{Public methods}{ -\itemize{ -\item \href{#method-pai-new}{\code{pai$new()}} -\item \href{#method-pai-clone}{\code{pai$clone()}} -} + \itemize{ + \item \href{#method-pai-initialize}{\code{pai$new()}} + \item \href{#method-pai-clone}{\code{pai$clone()}} + } } -\if{html}{\out{ -
Inherited methods +\if{html}{\out{
Inherited methods -
-}} +
}} \if{html}{\out{
}} -\if{html}{\out{}} -\if{latex}{\out{\hypertarget{method-pai-new}{}}} -\subsection{Method \code{new()}}{ -Create a new pai object -\subsection{Usage}{ -\if{html}{\out{
}}\preformatted{pai$new( +\if{html}{\out{}} +\if{latex}{\out{\hypertarget{method-pai-initialize}{}}} +\subsection{\code{pai$new()}}{ + Create a new pai object + \subsection{Usage}{ + \if{html}{\out{
}} + \preformatted{pai$new( iso, identifier = iso, smiles = NULL, @@ -84,55 +83,49 @@ Create a new pai object 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 +)} + \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 + \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 + \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 + \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{
}} -} + \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{\code{pai$clone()}}{ + The objects of this class are cloneable with this method. + \subsection{Usage}{ + \if{html}{\out{
}} + \preformatted{pai$clone(deep = FALSE)} + \if{html}{\out{
}} + } + \subsection{Arguments}{ + \if{html}{\out{
}} + \describe{ + \item{\code{deep}}{Whether to make a deep clone.} + } + \if{html}{\out{
}} + } } -\subsection{Arguments}{ -\if{html}{\out{
}} -\describe{ -\item{\code{deep}}{Whether to make a deep clone.} -} -\if{html}{\out{
}} -} -} } -- cgit v1.2.3