diff options
author | Johannes Ranke <jranke@uni-bremen.de> | 2024-12-02 09:20:54 +0100 |
---|---|---|
committer | Johannes Ranke <jranke@uni-bremen.de> | 2024-12-02 09:20:54 +0100 |
commit | d97e57a36e6b76def7a980fa6a06b2827df39c3e (patch) | |
tree | 3c862e2034c46d47146fbb971f141eaafb04947c /docs/reference | |
parent | 1023deba646ca200fb5fbd992d6de73770d2034e (diff) |
Otherwise, the descriptions of the methods get mixed up
Diffstat (limited to 'docs/reference')
-rw-r--r-- | docs/reference/chent.html | 69 | ||||
-rw-r--r-- | docs/reference/pai.html | 3 | ||||
-rw-r--r-- | docs/reference/ppp.html | 6 |
3 files changed, 26 insertions, 52 deletions
diff --git a/docs/reference/chent.html b/docs/reference/chent.html index cef2061..aed63b3 100644 --- a/docs/reference/chent.html +++ b/docs/reference/chent.html @@ -116,18 +116,15 @@ List of information retrieved from PubChem</p></dd> <dt><code>TPs</code></dt> -<dd><p>List of transformation products as chent objects -Add a transformation product to the internal list</p></dd> +<dd><p>List of transformation products as chent objects</p></dd> <dt><code>transformations</code></dt> -<dd><p>Data frame of observed transformations -Add a line in the internal dataframe holding observed transformations</p></dd> +<dd><p>Data frame of observed transformations</p></dd> <dt><code>soil_degradation</code></dt> -<dd><p>Dataframe of modelling DT50 values -Add a line in the internal dataframe holding modelling DT50 values</p></dd> +<dd><p>Dataframe of modelling DT50 values</p></dd> <dt><code>soil_ff</code></dt> @@ -135,8 +132,7 @@ Add a line in the internal dataframe holding modelling DT50 values</p></dd> <dt><code>soil_sorption</code></dt> -<dd><p>Dataframe of soil sorption data -Add soil sorption data</p></dd> +<dd><p>Dataframe of soil sorption data</p></dd> </dl><p></p></div> @@ -166,8 +162,7 @@ Add soil sorption data</p></dd> <li><p><a href="#method-chent-clone"><code>chent$clone()</code></a></p></li> </ul></div><p></p><hr><a id="method-chent-new"></a><div class="section"> <h3 id="method-new-">Method <code>new()</code><a class="anchor" aria-label="anchor" href="#method-new-"></a></h3> -<p>Creates a new instance of this <a href="https://r6.r-lib.org/reference/R6Class.html" class="external-link">R6</a> class.</p> -<p>Try to get chemical information from PubChem</p><div class="section"> +<p>Creates a new instance of this <a href="https://r6.r-lib.org/reference/R6Class.html" class="external-link">R6</a> class.</p><div class="section"> <h4 id="usage">Usage<a class="anchor" aria-label="anchor" href="#usage"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va"><a href="../reference/chent.html">chent</a></span><span class="op">$</span><span class="fu">new</span><span class="op">(</span></span> <span> <span class="va">identifier</span>,</span> @@ -225,8 +220,7 @@ directory?</p></dd> </div><p></p><hr><a id="method-chent-try_pubchem"></a><div class="section"> <h3 id="method-try-pubchem-">Method <code>try_pubchem()</code><a class="anchor" aria-label="anchor" href="#method-try-pubchem-"></a></h3> - -<div class="section"> +<p>Try to get chemical information from PubChem</p><div class="section"> <h4 id="usage-1">Usage<a class="anchor" aria-label="anchor" href="#usage-1"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">try_pubchem</span><span class="op">(</span><span class="va">query</span>, from <span class="op">=</span> <span class="st">"name"</span><span class="op">)</span></span></code></pre></div><p></p></div> </div> @@ -238,8 +232,7 @@ directory?</p></dd> <dt><code>from</code></dt> -<dd><p>Passed to <a href="https://docs.ropensci.org/webchem/reference/get_cid.html" class="external-link">get_cid</a> -Get chemical information from PubChem for a known PubChem CID</p></dd> +<dd><p>Passed to <a href="https://docs.ropensci.org/webchem/reference/get_cid.html" class="external-link">get_cid</a></p></dd> </dl><p></p></div> @@ -247,8 +240,7 @@ Get chemical information from PubChem for a known PubChem CID</p></dd> </div><p></p><hr><a id="method-chent-get_pubchem"></a><div class="section"> <h3 id="method-get-pubchem-">Method <code>get_pubchem()</code><a class="anchor" aria-label="anchor" href="#method-get-pubchem-"></a></h3> - -<div class="section"> +<p>Get chemical information from PubChem for a known PubChem CID</p><div class="section"> <h4 id="usage-2">Usage<a class="anchor" aria-label="anchor" href="#usage-2"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">get_pubchem</span><span class="op">(</span><span class="va">pubchem_cid</span><span class="op">)</span></span></code></pre></div><p></p></div> </div> @@ -264,8 +256,7 @@ Get chemical information from PubChem for a known PubChem CID</p></dd> </div><p></p><hr><a id="method-chent-get_rdkit"></a><div class="section"> <h3 id="method-get-rdkit-">Method <code>get_rdkit()</code><a class="anchor" aria-label="anchor" href="#method-get-rdkit-"></a></h3> -<p>Get chemical information from RDKit if available -Obtain information from a YAML file</p><div class="section"> +<p>Get chemical information from RDKit if available</p><div class="section"> <h4 id="usage-3">Usage<a class="anchor" aria-label="anchor" href="#usage-3"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">get_rdkit</span><span class="op">(</span>template <span class="op">=</span> <span class="cn">NULL</span><span class="op">)</span></span></code></pre></div><p></p></div> </div> @@ -281,8 +272,7 @@ Obtain information from a YAML file</p><div class="section"> </div><p></p><hr><a id="method-chent-get_chyaml"></a><div class="section"> <h3 id="method-get-chyaml-">Method <code>get_chyaml()</code><a class="anchor" aria-label="anchor" href="#method-get-chyaml-"></a></h3> - -<div class="section"> +<p>Obtain information from a YAML file</p><div class="section"> <h4 id="usage-4">Usage<a class="anchor" aria-label="anchor" href="#usage-4"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">get_chyaml</span><span class="op">(</span></span> <span> repo <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span><span class="st">"wd"</span>, <span class="st">"local"</span>, <span class="st">"web"</span><span class="op">)</span>,</span> @@ -299,8 +289,7 @@ the web (not implemented).</p></dd> <dt><code>chyaml</code></dt> -<dd><p>The filename to be looked for -Add a vapour pressure</p></dd> +<dd><p>The filename to be looked for</p></dd> </dl><p></p></div> @@ -308,8 +297,7 @@ Add a vapour pressure</p></dd> </div><p></p><hr><a id="method-chent-add_p0"></a><div class="section"> <h3 id="method-add-p-">Method <code>add_p0()</code><a class="anchor" aria-label="anchor" href="#method-add-p-"></a></h3> - -<div class="section"> +<p>Add a vapour pressure</p><div class="section"> <h4 id="usage-5">Usage<a class="anchor" aria-label="anchor" href="#usage-5"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">add_p0</span><span class="op">(</span><span class="va">p0</span>, T <span class="op">=</span> <span class="cn">NA</span>, source <span class="op">=</span> <span class="cn">NA</span>, page <span class="op">=</span> <span class="cn">NA</span>, remark <span class="op">=</span> <span class="st">""</span><span class="op">)</span></span></code></pre></div><p></p></div> </div> @@ -317,8 +305,7 @@ Add a vapour pressure</p></dd> <div class="section"> <h4 id="arguments-5">Arguments<a class="anchor" aria-label="anchor" href="#arguments-5"></a></h4> <p></p><div class="arguments"><dl><dt><code>p0</code></dt> -<dd><p>The vapour pressure in Pa -Add a water solubility</p></dd> +<dd><p>The vapour pressure in Pa</p></dd> <dt><code>T</code></dt> @@ -342,8 +329,7 @@ Add a water solubility</p></dd> </div><p></p><hr><a id="method-chent-add_cwsat"></a><div class="section"> <h3 id="method-add-cwsat-">Method <code>add_cwsat()</code><a class="anchor" aria-label="anchor" href="#method-add-cwsat-"></a></h3> - -<div class="section"> +<p>Add a water solubility</p><div class="section"> <h4 id="usage-6">Usage<a class="anchor" aria-label="anchor" href="#usage-6"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">add_cwsat</span><span class="op">(</span><span class="va">cwsat</span>, T <span class="op">=</span> <span class="cn">NA</span>, pH <span class="op">=</span> <span class="cn">NA</span>, source <span class="op">=</span> <span class="cn">NA</span>, page <span class="op">=</span> <span class="cn">NA</span>, remark <span class="op">=</span> <span class="st">""</span><span class="op">)</span></span></code></pre></div><p></p></div> </div> @@ -351,8 +337,7 @@ Add a water solubility</p></dd> <div class="section"> <h4 id="arguments-6">Arguments<a class="anchor" aria-label="anchor" href="#arguments-6"></a></h4> <p></p><div class="arguments"><dl><dt><code>cwsat</code></dt> -<dd><p>The water solubility in mg/L -Add a plant uptake factor</p></dd> +<dd><p>The water solubility in mg/L</p></dd> <dt><code>T</code></dt> @@ -380,8 +365,7 @@ Add a plant uptake factor</p></dd> </div><p></p><hr><a id="method-chent-add_PUF"></a><div class="section"> <h3 id="method-add-puf-">Method <code>add_PUF()</code><a class="anchor" aria-label="anchor" href="#method-add-puf-"></a></h3> - -<div class="section"> +<p>Add a plant uptake factor</p><div class="section"> <h4 id="usage-7">Usage<a class="anchor" aria-label="anchor" href="#usage-7"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">add_PUF</span><span class="op">(</span></span> <span> PUF <span class="op">=</span> <span class="fl">0</span>,</span> @@ -414,8 +398,7 @@ Add a plant uptake factor</p></dd> </div><p></p><hr><a id="method-chent-add_TP"></a><div class="section"> <h3 id="method-add-tp-">Method <code>add_TP()</code><a class="anchor" aria-label="anchor" href="#method-add-tp-"></a></h3> - -<div class="section"> +<p>Add a transformation product to the internal list</p><div class="section"> <h4 id="usage-8">Usage<a class="anchor" aria-label="anchor" href="#usage-8"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">add_TP</span><span class="op">(</span><span class="va">x</span>, smiles <span class="op">=</span> <span class="cn">NULL</span>, pubchem <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span></span></code></pre></div><p></p></div> </div> @@ -439,8 +422,7 @@ Add a plant uptake factor</p></dd> </div><p></p><hr><a id="method-chent-add_transformation"></a><div class="section"> <h3 id="method-add-transformation-">Method <code>add_transformation()</code><a class="anchor" aria-label="anchor" href="#method-add-transformation-"></a></h3> - -<div class="section"> +<p>Add a line in the internal dataframe holding observed transformations</p><div class="section"> <h4 id="usage-9">Usage<a class="anchor" aria-label="anchor" href="#usage-9"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">add_transformation</span><span class="op">(</span></span> <span> <span class="va">study_type</span>,</span> @@ -486,8 +468,7 @@ result from stochiometric transformation</p></dd> </div><p></p><hr><a id="method-chent-add_soil_degradation"></a><div class="section"> <h3 id="method-add-soil-degradation-">Method <code>add_soil_degradation()</code><a class="anchor" aria-label="anchor" href="#method-add-soil-degradation-"></a></h3> - -<div class="section"> +<p>Add a line in the internal dataframe holding modelling DT50 values</p><div class="section"> <h4 id="usage-10">Usage<a class="anchor" aria-label="anchor" href="#usage-10"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">add_soil_degradation</span><span class="op">(</span></span> <span> <span class="va">soils</span>,</span> @@ -593,8 +574,7 @@ the technical active ingredient</p></dd> </div><p></p><hr><a id="method-chent-add_soil_ff"></a><div class="section"> <h3 id="method-add-soil-ff-">Method <code>add_soil_ff()</code><a class="anchor" aria-label="anchor" href="#method-add-soil-ff-"></a></h3> - -<div class="section"> +<p>Add one or more formation fractions for degradation in soil</p><div class="section"> <h4 id="usage-11">Usage<a class="anchor" aria-label="anchor" href="#usage-11"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">add_soil_ff</span><span class="op">(</span><span class="va">target</span>, <span class="va">soils</span>, ff <span class="op">=</span> <span class="fl">1</span>, remark <span class="op">=</span> <span class="st">""</span>, <span class="va">source</span>, page <span class="op">=</span> <span class="cn">NA</span><span class="op">)</span></span></code></pre></div><p></p></div> </div> @@ -630,8 +610,7 @@ the technical active ingredient</p></dd> </div><p></p><hr><a id="method-chent-add_soil_sorption"></a><div class="section"> <h3 id="method-add-soil-sorption-">Method <code>add_soil_sorption()</code><a class="anchor" aria-label="anchor" href="#method-add-soil-sorption-"></a></h3> - -<div class="section"> +<p>Add soil sorption data</p><div class="section"> <h4 id="usage-12">Usage<a class="anchor" aria-label="anchor" href="#usage-12"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">add_soil_sorption</span><span class="op">(</span></span> <span> <span class="va">soils</span>,</span> @@ -715,8 +694,7 @@ or according to Freundlich</p></dd> </div><p></p><hr><a id="method-chent-pdf"></a><div class="section"> <h3 id="method-pdf-">Method <code><a href="https://rdrr.io/r/grDevices/pdf.html" class="external-link">pdf()</a></code><a class="anchor" aria-label="anchor" href="#method-pdf-"></a></h3> -<p>Write a PDF image of the structure -Write a PNG image of the structure</p><div class="section"> +<p>Write a PDF image of the structure</p><div class="section"> <h4 id="usage-13">Usage<a class="anchor" aria-label="anchor" href="#usage-13"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">pdf</span><span class="op">(</span></span> <span> file <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/paste.html" class="external-link">paste0</a></span><span class="op">(</span><span class="va">self</span><span class="op">$</span><span class="va">identifier</span>, <span class="st">".pdf"</span><span class="op">)</span>,</span> @@ -744,8 +722,7 @@ Write a PNG image of the structure</p><div class="section"> </div><p></p><hr><a id="method-chent-png"></a><div class="section"> <h3 id="method-png-">Method <code><a href="https://rdrr.io/r/grDevices/png.html" class="external-link">png()</a></code><a class="anchor" aria-label="anchor" href="#method-png-"></a></h3> - -<div class="section"> +<p>Write a PNG image of the structure</p><div class="section"> <h4 id="usage-14">Usage<a class="anchor" aria-label="anchor" href="#usage-14"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">png</span><span class="op">(</span></span> <span> file <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/paste.html" class="external-link">paste0</a></span><span class="op">(</span><span class="va">self</span><span class="op">$</span><span class="va">identifier</span>, <span class="st">".png"</span><span class="op">)</span>,</span> diff --git a/docs/reference/pai.html b/docs/reference/pai.html index 30bbbac..b24c78e 100644 --- a/docs/reference/pai.html +++ b/docs/reference/pai.html @@ -96,8 +96,7 @@ at <pesticidecompendium.bcpc.org></p></dd> <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="try_pubchem"><a href="chent.html#method-try_pubchem"><code>chents::chent$try_pubchem()</code></a></span></li> </ul></details></p><hr><a id="method-pai-new"></a><div class="section"> <h3 id="method-new-">Method <code>new()</code><a class="anchor" aria-label="anchor" href="#method-new-"></a></h3> - -<div class="section"> +<p>Create a new pai object</p><div class="section"> <h4 id="usage">Usage<a class="anchor" aria-label="anchor" href="#usage"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va"><a href="../reference/pai.html">pai</a></span><span class="op">$</span><span class="fu">new</span><span class="op">(</span></span> <span> <span class="va">iso</span>,</span> diff --git a/docs/reference/ppp.html b/docs/reference/ppp.html index ef3933d..f7b7705 100644 --- a/docs/reference/ppp.html +++ b/docs/reference/ppp.html @@ -68,8 +68,7 @@ product</p> <dt><code>density_units</code></dt> -<dd><p>Defaults to g/L -Creates a new instance of this <a href="https://r6.r-lib.org/reference/R6Class.html" class="external-link">R6</a> class.</p></dd> +<dd><p>Defaults to g/L</p></dd> </dl><p></p></div> @@ -84,8 +83,7 @@ Creates a new instance of this <a href="https://r6.r-lib.org/reference/R6Class.h <li><p><a href="#method-ppp-clone"><code>ppp$clone()</code></a></p></li> </ul></div><p></p><hr><a id="method-ppp-new"></a><div class="section"> <h3 id="method-new-">Method <code>new()</code><a class="anchor" aria-label="anchor" href="#method-new-"></a></h3> - -<div class="section"> +<p>Creates a new instance of this <a href="https://r6.r-lib.org/reference/R6Class.html" class="external-link">R6</a> class.</p><div class="section"> <h4 id="usage">Usage<a class="anchor" aria-label="anchor" href="#usage"></a></h4> <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va"><a href="../reference/ppp.html">ppp</a></span><span class="op">$</span><span class="fu">new</span><span class="op">(</span></span> <span> <span class="va">name</span>,</span> |