diff options
Diffstat (limited to 'man/pai.Rd')
| -rw-r--r-- | man/pai.Rd | 145 |
1 files changed, 69 insertions, 76 deletions
@@ -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{<div class="r6-fields">}} -\describe{ -\item{\code{iso}}{ISO common name of the active ingredient according to ISO 1750} + \if{html}{\out{<div class="r6-fields">}} + \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 <pesticidecompendium.bcpc.org>} -} -\if{html}{\out{</div>}} + } + \if{html}{\out{</div>}} } \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{ -<details><summary>Inherited methods</summary> +\if{html}{\out{<details><summary>Inherited methods</summary> <ul> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_PUF"><a href='../../chents/html/chent.html#method-chent-add_PUF'><code>chents::chent$add_PUF()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_TP"><a href='../../chents/html/chent.html#method-chent-add_TP'><code>chents::chent$add_TP()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_cwsat"><a href='../../chents/html/chent.html#method-chent-add_cwsat'><code>chents::chent$add_cwsat()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_p0"><a href='../../chents/html/chent.html#method-chent-add_p0'><code>chents::chent$add_p0()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_soil_degradation"><a href='../../chents/html/chent.html#method-chent-add_soil_degradation'><code>chents::chent$add_soil_degradation()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_soil_ff"><a href='../../chents/html/chent.html#method-chent-add_soil_ff'><code>chents::chent$add_soil_ff()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_soil_sorption"><a href='../../chents/html/chent.html#method-chent-add_soil_sorption'><code>chents::chent$add_soil_sorption()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_transformation"><a href='../../chents/html/chent.html#method-chent-add_transformation'><code>chents::chent$add_transformation()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="emf"><a href='../../chents/html/chent.html#method-chent-emf'><code>chents::chent$emf()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="get_chyaml"><a href='../../chents/html/chent.html#method-chent-get_chyaml'><code>chents::chent$get_chyaml()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="get_pubchem"><a href='../../chents/html/chent.html#method-chent-get_pubchem'><code>chents::chent$get_pubchem()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="get_rdkit"><a href='../../chents/html/chent.html#method-chent-get_rdkit'><code>chents::chent$get_rdkit()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="pdf"><a href='../../chents/html/chent.html#method-chent-pdf'><code>chents::chent$pdf()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="png"><a href='../../chents/html/chent.html#method-chent-png'><code>chents::chent$png()</code></a></span></li> -<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="try_pubchem"><a href='../../chents/html/chent.html#method-chent-try_pubchem'><code>chents::chent$try_pubchem()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_PUF"><a href='../../chents/html/chent.html#method-chent-add_PUF'><code>chent$add_PUF()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_TP"><a href='../../chents/html/chent.html#method-chent-add_TP'><code>chent$add_TP()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_cwsat"><a href='../../chents/html/chent.html#method-chent-add_cwsat'><code>chent$add_cwsat()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_p0"><a href='../../chents/html/chent.html#method-chent-add_p0'><code>chent$add_p0()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_soil_degradation"><a href='../../chents/html/chent.html#method-chent-add_soil_degradation'><code>chent$add_soil_degradation()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_soil_ff"><a href='../../chents/html/chent.html#method-chent-add_soil_ff'><code>chent$add_soil_ff()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_soil_sorption"><a href='../../chents/html/chent.html#method-chent-add_soil_sorption'><code>chent$add_soil_sorption()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_transformation"><a href='../../chents/html/chent.html#method-chent-add_transformation'><code>chent$add_transformation()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="emf"><a href='../../chents/html/chent.html#method-chent-emf'><code>chent$emf()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="get_chyaml"><a href='../../chents/html/chent.html#method-chent-get_chyaml'><code>chent$get_chyaml()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="get_pubchem"><a href='../../chents/html/chent.html#method-chent-get_pubchem'><code>chent$get_pubchem()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="get_rdkit"><a href='../../chents/html/chent.html#method-chent-get_rdkit'><code>chent$get_rdkit()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="pdf"><a href='../../chents/html/chent.html#method-chent-pdf'><code>chent$pdf()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="png"><a href='../../chents/html/chent.html#method-chent-png'><code>chent$png()</code></a></span></li> + <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="try_pubchem"><a href='../../chents/html/chent.html#method-chent-try_pubchem'><code>chent$try_pubchem()</code></a></span></li> </ul> -</details> -}} +</details>}} \if{html}{\out{<hr>}} -\if{html}{\out{<a id="method-pai-new"></a>}} -\if{latex}{\out{\hypertarget{method-pai-new}{}}} -\subsection{Method \code{new()}}{ -Create a new pai object -\subsection{Usage}{ -\if{html}{\out{<div class="r">}}\preformatted{pai$new( +\if{html}{\out{<a id="method-pai-initialize"></a>}} +\if{latex}{\out{\hypertarget{method-pai-initialize}{}}} +\subsection{\code{pai$new()}}{ + Create a new pai object + \subsection{Usage}{ + \if{html}{\out{<div class="r">}} + \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{</div>}} -} - -\subsection{Arguments}{ -\if{html}{\out{<div class="arguments">}} -\describe{ -\item{\code{iso}}{The ISO common name to be used in the query of the +)} + \if{html}{\out{</div>}} + } + \subsection{Arguments}{ + \if{html}{\out{<div class="arguments">}} + \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{</div>}} -} + \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{</div>}} + } } + \if{html}{\out{<hr>}} \if{html}{\out{<a id="method-pai-clone"></a>}} \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{<div class="r">}}\preformatted{pai$clone(deep = FALSE)}\if{html}{\out{</div>}} +\subsection{\code{pai$clone()}}{ + The objects of this class are cloneable with this method. + \subsection{Usage}{ + \if{html}{\out{<div class="r">}} + \preformatted{pai$clone(deep = FALSE)} + \if{html}{\out{</div>}} + } + \subsection{Arguments}{ + \if{html}{\out{<div class="arguments">}} + \describe{ + \item{\code{deep}}{Whether to make a deep clone.} + } + \if{html}{\out{</div>}} + } } -\subsection{Arguments}{ -\if{html}{\out{<div class="arguments">}} -\describe{ -\item{\code{deep}}{Whether to make a deep clone.} -} -\if{html}{\out{</div>}} -} -} } |