Improve description with README text

Also, read the description into the Readme to have them in sync and update docs with roxygen 8.
author: Johannes Ranke <johannes.ranke@jrwb.de> 2026-07-03 11:51:32 +0200
committer: Johannes Ranke <johannes.ranke@jrwb.de> 2026-07-03 11:51:32 +0200
commit: 88027b7a70510b48bd7525ffcd536f0808d263e7 (patch)
tree: 94f83bd420d494334011ff8f67a27483130fe857 /docs/reference
parent: 32caaedcc6b6b8addc9f23fce9dca4188f692fed (diff)
14 files changed, 285 insertions, 374 deletions
diff --git a/docs/reference/chent.html b/docs/reference/chent.html
index e2f241d..13ad23e 100644
--- a/docs/reference/chent.html
+++ b/docs/reference/chent.html
@@ -11,7 +11,7 @@ generated using RDKit if RDKit and its python bindings are installed."></head><b
 
     <a class="navbar-brand me-2" href="../index.html">chents</a>
 
-    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.1</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.2</small>
 
 
     <button class="navbar-toggler" type="button" data-bs-toggle="collapse" data-bs-target="#navbar" aria-controls="navbar" aria-expanded="false" aria-label="Toggle navigation">
@@ -46,7 +46,7 @@ generated using RDKit if RDKit and its python bindings are installed.</p>
 
     <div class="section level2">
     <h2 id="format">Format<a class="anchor" aria-label="anchor" href="#format"></a></h2>
-    <p>An <a href="https://r6.r-lib.org/reference/R6Class.html" class="external-link">R6::R6Class</a> generator object</p>
+    <p>An <a href="https://r6.r-lib.org/reference/R6Class.html" class="external-link">R6Class</a> generator object</p>
     </div>
     <div class="section level2">
     <h2 id="public-fields">Public fields<a class="anchor" aria-label="anchor" href="#public-fields"></a></h2>
@@ -55,83 +55,83 @@ generated using RDKit if RDKit and its python bindings are installed.</p>
 The identifier that was used to initiate the object, with attribute 'source'</p></dd>
 
 
-<dt><code>inchikey</code></dt>
+    <dt><code>inchikey</code></dt>
 <dd><p>(<code>character(1)</code>)<br>
 InChI Key, with attribute 'source'</p></dd>
 
 
-<dt><code>smiles</code></dt>
+    <dt><code>smiles</code></dt>
 <dd><p>(<code><a href="https://rdrr.io/r/base/character.html" class="external-link">character()</a></code>)<br>
 SMILES code(s), with attribute 'source'</p></dd>
 
 
-<dt><code>mw</code></dt>
+    <dt><code>mw</code></dt>
 <dd><p>(<code>numeric(1)</code>)<br>
 Molecular weight, with attribute 'source'</p></dd>
 
 
-<dt><code>pubchem</code></dt>
+    <dt><code>pubchem</code></dt>
 <dd><p>(<code><a href="https://rdrr.io/r/base/list.html" class="external-link">list()</a></code>)<br>
 List of information retrieved from PubChem</p></dd>
 
 
-<dt><code>rdkit</code></dt>
+    <dt><code>rdkit</code></dt>
 <dd><p>List of information obtained with RDKit</p></dd>
 
 
-<dt><code>mol</code></dt>
+    <dt><code>mol</code></dt>
 <dd><p>&lt;rdkit.Chem.rdchem.Mol&gt; object</p></dd>
 
 
-<dt><code>svg</code></dt>
+    <dt><code>svg</code></dt>
 <dd><p>SVG code</p></dd>
 
 
-<dt><code>Picture</code></dt>
+    <dt><code>Picture</code></dt>
 <dd><p>Graph as a <a href="https://rdrr.io/pkg/grImport/man/Picture-class.html" class="external-link">grImport::Picture</a> object obtained using the grImport package</p></dd>
 
 
-<dt><code>Pict_font_size</code></dt>
+    <dt><code>Pict_font_size</code></dt>
 <dd><p>Font size as extracted from the intermediate PostScript file</p></dd>
 
 
-<dt><code>pdf_height</code></dt>
+    <dt><code>pdf_height</code></dt>
 <dd><p>Height of the MediaBox in the pdf after cropping</p></dd>
 
 
-<dt><code>p0</code></dt>
+    <dt><code>p0</code></dt>
 <dd><p>Vapour pressure in Pa</p></dd>
 
 
-<dt><code>cwsat</code></dt>
+    <dt><code>cwsat</code></dt>
 <dd><p>Water solubility in mg/L</p></dd>
 
 
-<dt><code>PUF</code></dt>
+    <dt><code>PUF</code></dt>
 <dd><p>Plant uptake factor</p></dd>
 
 
-<dt><code>chyaml</code></dt>
+    <dt><code>chyaml</code></dt>
 <dd><p>List of information obtained from a YAML file</p></dd>
 
 
-<dt><code>TPs</code></dt>
+    <dt><code>TPs</code></dt>
 <dd><p>List of transformation products as chent objects</p></dd>
 
 
-<dt><code>transformations</code></dt>
+    <dt><code>transformations</code></dt>
 <dd><p>Data frame of observed transformations</p></dd>
 
 
-<dt><code>soil_degradation</code></dt>
+    <dt><code>soil_degradation</code></dt>
 <dd><p>Dataframe of modelling DT50 values</p></dd>
 
 
-<dt><code>soil_ff</code></dt>
+    <dt><code>soil_ff</code></dt>
 <dd><p>Dataframe of formation fractions</p></dd>
 
 
-<dt><code>soil_sorption</code></dt>
+    <dt><code>soil_sorption</code></dt>
 <dd><p>Dataframe of soil sorption data</p></dd>
 
 
@@ -142,8 +142,7 @@ List of information retrieved from PubChem</p></dd>
 
 <div class="section">
 <h3 id="public-methods">Public methods<a class="anchor" aria-label="anchor" href="#public-methods"></a></h3>
-
-<ul><li><p><a href="#method-chent-new"><code>chent$new()</code></a></p></li>
+<p></p><ul><li><p><a href="#method-chent-initialize"><code>chent$new()</code></a></p></li>
 <li><p><a href="#method-chent-try_pubchem"><code>chent$try_pubchem()</code></a></p></li>
 <li><p><a href="#method-chent-get_pubchem"><code>chent$get_pubchem()</code></a></p></li>
 <li><p><a href="#method-chent-get_rdkit"><code>chent$get_rdkit()</code></a></p></li>
@@ -160,8 +159,8 @@ List of information retrieved from PubChem</p></dd>
 <li><p><a href="#method-chent-png"><code>chent$png()</code></a></p></li>
 <li><p><a href="#method-chent-emf"><code>chent$emf()</code></a></p></li>
 <li><p><a href="#method-chent-clone"><code>chent$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>
+</ul></div><p></p><hr><a id="method-chent-initialize"></a><div class="section">
+<h3 id="chent-new-"><code>chent$new()</code><a class="anchor" aria-label="anchor" href="#chent-new-"></a></h3>
 <p>Creates a new instance of this <a href="https://r6.r-lib.org/reference/R6Class.html" class="external-link">R6</a> class.</p><div class="section">
 <h4 id="usage">Usage<a class="anchor" aria-label="anchor" href="#usage"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va"><a href="../reference/chent.html">chent</a></span><span class="op">$</span><span class="fu">new</span><span class="op">(</span></span>
@@ -174,43 +173,34 @@ List of information retrieved from PubChem</p></dd>
 <span>  template <span class="op">=</span> <span class="cn">NULL</span>,</span>
 <span>  chyaml <span class="op">=</span> <span class="cn">FALSE</span></span>
 <span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments">Arguments<a class="anchor" aria-label="anchor" href="#arguments"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>identifier</code></dt>
 <dd><p>Identifier to be stored in the object</p></dd>
 
-
-<dt><code>smiles</code></dt>
+      <dt><code>smiles</code></dt>
 <dd><p>Optional user provided SMILES code</p></dd>
 
-
-<dt><code>inchikey</code></dt>
+      <dt><code>inchikey</code></dt>
 <dd><p>Optional user provided InChI Key</p></dd>
 
-
-<dt><code>pubchem</code></dt>
+      <dt><code>pubchem</code></dt>
 <dd><p>Should an attempt be made to retrieve chemical
 information from PubChem via the webchem package?</p></dd>
 
-
-<dt><code>pubchem_from</code></dt>
+      <dt><code>pubchem_from</code></dt>
 <dd><p>Possibility to select the argument
 that is used to query pubchem</p></dd>
 
-
-<dt><code>rdkit</code></dt>
+      <dt><code>rdkit</code></dt>
 <dd><p>Should an attempt be made to retrieve chemical
 information from a local rdkit installation via python
 and the reticulate package?</p></dd>
 
-
-<dt><code>template</code></dt>
+      <dt><code>template</code></dt>
 <dd><p>An optional SMILES code to be used as template for RDKit</p></dd>
 
-
-<dt><code>chyaml</code></dt>
+      <dt><code>chyaml</code></dt>
 <dd><p>Should we look for a identifier.yaml file in the working
 directory?</p></dd>
 
@@ -218,34 +208,33 @@ directory?</p></dd>
 </dl><p></p></div>
 </div>
 
-</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>
+
+<p></p><hr><a id="method-chent-try_pubchem"></a><div class="section">
+<h3 id="chent-try-pubchem-"><code>chent$try_pubchem()</code><a class="anchor" aria-label="anchor" href="#chent-try-pubchem-"></a></h3>
 <p>Try to get chemical information from PubChem</p><div class="section">
 <h4 id="usage-1">Usage<a class="anchor" aria-label="anchor" href="#usage-1"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">try_pubchem</span><span class="op">(</span>query <span class="op">=</span> <span class="va">self</span><span class="op">$</span><span class="va">identifier</span>, from <span class="op">=</span> <span class="st">"name"</span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-1">Arguments<a class="anchor" aria-label="anchor" href="#arguments-1"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>query</code></dt>
 <dd><p>Query string to be passed to <a href="https://docs.ropensci.org/webchem/reference/get_cid.html" class="external-link">get_cid</a></p></dd>
 
-
-<dt><code>from</code></dt>
+      <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></p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</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>
+
+<p></p><hr><a id="method-chent-get_pubchem"></a><div class="section">
+<h3 id="chent-get-pubchem-"><code>chent$get_pubchem()</code><a class="anchor" aria-label="anchor" href="#chent-get-pubchem-"></a></h3>
 <p>Get chemical information from PubChem for a known PubChem CID</p><div class="section">
 <h4 id="usage-2">Usage<a class="anchor" aria-label="anchor" href="#usage-2"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</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>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-2">Arguments<a class="anchor" aria-label="anchor" href="#arguments-2"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>pubchem_cid</code></dt>
 <dd><p>CID</p></dd>
@@ -254,14 +243,14 @@ directory?</p></dd>
 </dl><p></p></div>
 </div>
 
-</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>
+</div>
+
+<p></p><hr><a id="method-chent-get_rdkit"></a><div class="section">
+<h3 id="chent-get-rdkit-"><code>chent$get_rdkit()</code><a class="anchor" aria-label="anchor" href="#chent-get-rdkit-"></a></h3>
 <p>Get chemical information from RDKit if available</p><div class="section">
 <h4 id="usage-3">Usage<a class="anchor" aria-label="anchor" href="#usage-3"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</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>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-3">Arguments<a class="anchor" aria-label="anchor" href="#arguments-3"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>template</code></dt>
 <dd><p>An optional SMILES code to be used as template for RDKit</p></dd>
@@ -270,101 +259,93 @@ directory?</p></dd>
 </dl><p></p></div>
 </div>
 
-</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>
+
+<p></p><hr><a id="method-chent-get_chyaml"></a><div class="section">
+<h3 id="chent-get-chyaml-"><code>chent$get_chyaml()</code><a class="anchor" aria-label="anchor" href="#chent-get-chyaml-"></a></h3>
 <p>Obtain information from a YAML file</p><div class="section">
 <h4 id="usage-4">Usage<a class="anchor" aria-label="anchor" href="#usage-4"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</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>
 <span>  chyaml <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="fu"><a href="https://rdrr.io/r/utils/URLencode.html" class="external-link">URLencode</a></span><span class="op">(</span><span class="va">self</span><span class="op">$</span><span class="va">identifier</span><span class="op">)</span>, <span class="st">".yaml"</span><span class="op">)</span></span>
 <span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-4">Arguments<a class="anchor" aria-label="anchor" href="#arguments-4"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>repo</code></dt>
 <dd><p>Should the file be looked for in the current working
 directory, a local git repository under <code>~/git/chyaml</code>, or from
 the web (not implemented).</p></dd>
 
-
-<dt><code>chyaml</code></dt>
+      <dt><code>chyaml</code></dt>
 <dd><p>The filename to be looked for</p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</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>
+
+<p></p><hr><a id="method-chent-add_p0"></a><div class="section">
+<h3 id="chent-add-p-"><code>chent$add_p0()</code><a class="anchor" aria-label="anchor" href="#chent-add-p-"></a></h3>
 <p>Add a vapour pressure</p><div class="section">
 <h4 id="usage-5">Usage<a class="anchor" aria-label="anchor" href="#usage-5"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</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>
-
-<div class="section">
+</div><p></p><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</p></dd>
 
-
-<dt><code>T</code></dt>
+      <dt><code>T</code></dt>
 <dd><p>Temperature</p></dd>
 
-
-<dt><code>source</code></dt>
+      <dt><code>source</code></dt>
 <dd><p>An acronym specifying the source of the information</p></dd>
 
-
-<dt><code>page</code></dt>
+      <dt><code>page</code></dt>
 <dd><p>The page from which the information was taken</p></dd>
 
-
-<dt><code>remark</code></dt>
+      <dt><code>remark</code></dt>
 <dd><p>A remark</p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</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>
+
+<p></p><hr><a id="method-chent-add_cwsat"></a><div class="section">
+<h3 id="chent-add-cwsat-"><code>chent$add_cwsat()</code><a class="anchor" aria-label="anchor" href="#chent-add-cwsat-"></a></h3>
 <p>Add a water solubility</p><div class="section">
 <h4 id="usage-6">Usage<a class="anchor" aria-label="anchor" href="#usage-6"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</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>
-
-<div class="section">
+</div><p></p><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</p></dd>
 
-
-<dt><code>T</code></dt>
+      <dt><code>T</code></dt>
 <dd><p>Temperature</p></dd>
 
-
-<dt><code>pH</code></dt>
+      <dt><code>pH</code></dt>
 <dd><p>pH value</p></dd>
 
-
-<dt><code>source</code></dt>
+      <dt><code>source</code></dt>
 <dd><p>An acronym specifying the source of the information</p></dd>
 
-
-<dt><code>page</code></dt>
+      <dt><code>page</code></dt>
 <dd><p>The page from which the information was taken</p></dd>
 
-
-<dt><code>remark</code></dt>
+      <dt><code>remark</code></dt>
 <dd><p>A remark</p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</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>
+
+<p></p><hr><a id="method-chent-add_PUF"></a><div class="section">
+<h3 id="chent-add-puf-"><code>chent$add_PUF()</code><a class="anchor" aria-label="anchor" href="#chent-add-puf-"></a></h3>
 <p>Add a plant uptake factor</p><div class="section">
 <h4 id="usage-7">Usage<a class="anchor" aria-label="anchor" href="#usage-7"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">add_PUF</span><span class="op">(</span></span>
@@ -373,55 +354,50 @@ the web (not implemented).</p></dd>
 <span>  page <span class="op">=</span> <span class="fl">41</span>,</span>
 <span>  remark <span class="op">=</span> <span class="st">"Conservative default value"</span></span>
 <span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-7">Arguments<a class="anchor" aria-label="anchor" href="#arguments-7"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>PUF</code></dt>
 <dd><p>The plant uptake factor, a number between 0 and 1</p></dd>
 
-
-<dt><code>source</code></dt>
+      <dt><code>source</code></dt>
 <dd><p>An acronym specifying the source of the information</p></dd>
 
-
-<dt><code>page</code></dt>
+      <dt><code>page</code></dt>
 <dd><p>The page from which the information was taken</p></dd>
 
-
-<dt><code>remark</code></dt>
+      <dt><code>remark</code></dt>
 <dd><p>A remark</p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</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>
+
+<p></p><hr><a id="method-chent-add_TP"></a><div class="section">
+<h3 id="chent-add-tp-"><code>chent$add_TP()</code><a class="anchor" aria-label="anchor" href="#chent-add-tp-"></a></h3>
 <p>Add a transformation product to the internal list</p><div class="section">
 <h4 id="usage-8">Usage<a class="anchor" aria-label="anchor" href="#usage-8"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</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>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-8">Arguments<a class="anchor" aria-label="anchor" href="#arguments-8"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>x</code></dt>
 <dd><p>A chent object, or an identifier to generate a chent object</p></dd>
 
-
-<dt><code>smiles</code></dt>
+      <dt><code>smiles</code></dt>
 <dd><p>Optional user provided SMILES code</p></dd>
 
-
-<dt><code>pubchem</code></dt>
+      <dt><code>pubchem</code></dt>
 <dd><p>Should chemical information be obtained from PubChem?</p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</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>
+
+<p></p><hr><a id="method-chent-add_transformation"></a><div class="section">
+<h3 id="chent-add-transformation-"><code>chent$add_transformation()</code><a class="anchor" aria-label="anchor" href="#chent-add-transformation-"></a></h3>
 <p>Add a line in the internal dataframe holding observed transformations</p><div class="section">
 <h4 id="usage-9">Usage<a class="anchor" aria-label="anchor" href="#usage-9"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">add_transformation</span><span class="op">(</span></span>
@@ -432,42 +408,37 @@ the web (not implemented).</p></dd>
 <span>  source <span class="op">=</span> <span class="cn">NA</span>,</span>
 <span>  pages <span class="op">=</span> <span class="cn">NA</span></span>
 <span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-9">Arguments<a class="anchor" aria-label="anchor" href="#arguments-9"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>study_type</code></dt>
 <dd><p>A characterisation of the study type</p></dd>
 
-
-<dt><code>TP_identifier</code></dt>
+      <dt><code>TP_identifier</code></dt>
 <dd><p>An identifier of one of the transformation products
 in <code>self$TPs</code></p></dd>
 
-
-<dt><code>max_occurrence</code></dt>
+      <dt><code>max_occurrence</code></dt>
 <dd><p>The maximum observed occurrence of the
 transformation product, expressed as a fraction of the amount that would
 result from stochiometric transformation</p></dd>
 
-
-<dt><code>remark</code></dt>
+      <dt><code>remark</code></dt>
 <dd><p>A remark</p></dd>
 
-
-<dt><code>source</code></dt>
+      <dt><code>source</code></dt>
 <dd><p>An acronym specifying the source of the information</p></dd>
 
-
-<dt><code>pages</code></dt>
+      <dt><code>pages</code></dt>
 <dd><p>The pages from which the information was taken</p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</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>
+
+<p></p><hr><a id="method-chent-add_soil_degradation"></a><div class="section">
+<h3 id="chent-add-soil-degradation-"><code>chent$add_soil_degradation()</code><a class="anchor" aria-label="anchor" href="#chent-add-soil-degradation-"></a></h3>
 <p>Add a line in the internal dataframe holding modelling DT50 values</p><div class="section">
 <h4 id="usage-10">Usage<a class="anchor" aria-label="anchor" href="#usage-10"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">add_soil_degradation</span><span class="op">(</span></span>
@@ -490,126 +461,104 @@ result from stochiometric transformation</p></dd>
 <span>  <span class="va">source</span>,</span>
 <span>  page <span class="op">=</span> <span class="cn">NA</span></span>
 <span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-10">Arguments<a class="anchor" aria-label="anchor" href="#arguments-10"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>soils</code></dt>
 <dd><p>Names of the soils</p></dd>
 
-
-<dt><code>DT50_mod</code></dt>
+      <dt><code>DT50_mod</code></dt>
 <dd><p>The modelling DT50 in the sense of regulatory pesticide
 fate modelling</p></dd>
 
-
-<dt><code>DT50_mod_ref</code></dt>
+      <dt><code>DT50_mod_ref</code></dt>
 <dd><p>The normalised modelling DT50 in the sense of
 regulatory pesticide fate modelling</p></dd>
 
-
-<dt><code>type</code></dt>
+      <dt><code>type</code></dt>
 <dd><p>The soil type</p></dd>
 
-
-<dt><code>country</code></dt>
+      <dt><code>country</code></dt>
 <dd><p>The country (mainly for field studies)</p></dd>
 
-
-<dt><code>pH_orig</code></dt>
+      <dt><code>pH_orig</code></dt>
 <dd><p>The pH stated in the study</p></dd>
 
-
-<dt><code>pH_medium</code></dt>
+      <dt><code>pH_medium</code></dt>
 <dd><p>The medium in which this pH was measured</p></dd>
 
-
-<dt><code>pH_H2O</code></dt>
+      <dt><code>pH_H2O</code></dt>
 <dd><p>The pH extrapolated to pure water</p></dd>
 
-
-<dt><code>perc_OC</code></dt>
+      <dt><code>perc_OC</code></dt>
 <dd><p>The percentage of organic carbon in the soil</p></dd>
 
-
-<dt><code>temperature</code></dt>
+      <dt><code>temperature</code></dt>
 <dd><p>The temperature during the study in degrees Celsius</p></dd>
 
-
-<dt><code>moisture</code></dt>
+      <dt><code>moisture</code></dt>
 <dd><p>The moisture during the study</p></dd>
 
-
-<dt><code>category</code></dt>
+      <dt><code>category</code></dt>
 <dd><p>Is it a laboratory ('lab') or field study ('field')</p></dd>
 
-
-<dt><code>formulation</code></dt>
+      <dt><code>formulation</code></dt>
 <dd><p>Name of the formulation applied, if it was not
 the technical active ingredient</p></dd>
 
-
-<dt><code>model</code></dt>
+      <dt><code>model</code></dt>
 <dd><p>The degradation model used for deriving <code>DT50_mod</code></p></dd>
 
-
-<dt><code>chi2</code></dt>
+      <dt><code>chi2</code></dt>
 <dd><p>The relative error as defined in FOCUS kinetics</p></dd>
 
-
-<dt><code>remark</code></dt>
+      <dt><code>remark</code></dt>
 <dd><p>A remark</p></dd>
 
-
-<dt><code>source</code></dt>
+      <dt><code>source</code></dt>
 <dd><p>An acronym specifying the source of the information</p></dd>
 
-
-<dt><code>page</code></dt>
+      <dt><code>page</code></dt>
 <dd><p>The page from which the information was taken</p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</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>
+
+<p></p><hr><a id="method-chent-add_soil_ff"></a><div class="section">
+<h3 id="chent-add-soil-ff-"><code>chent$add_soil_ff()</code><a class="anchor" aria-label="anchor" href="#chent-add-soil-ff-"></a></h3>
 <p>Add one or more formation fractions for degradation in soil</p><div class="section">
 <h4 id="usage-11">Usage<a class="anchor" aria-label="anchor" href="#usage-11"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</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>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-11">Arguments<a class="anchor" aria-label="anchor" href="#arguments-11"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>target</code></dt>
 <dd><p>The identifier(s) of the transformation product</p></dd>
 
-
-<dt><code>soils</code></dt>
+      <dt><code>soils</code></dt>
 <dd><p>The soil name(s) in which the transformation was observed</p></dd>
 
-
-<dt><code>ff</code></dt>
+      <dt><code>ff</code></dt>
 <dd><p>The formation fraction(s)</p></dd>
 
-
-<dt><code>remark</code></dt>
+      <dt><code>remark</code></dt>
 <dd><p>A remark</p></dd>
 
-
-<dt><code>source</code></dt>
+      <dt><code>source</code></dt>
 <dd><p>An acronym specifying the source of the information</p></dd>
 
-
-<dt><code>page</code></dt>
+      <dt><code>page</code></dt>
 <dd><p>The page from which the information was taken</p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</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>
+
+<p></p><hr><a id="method-chent-add_soil_sorption"></a><div class="section">
+<h3 id="chent-add-soil-sorption-"><code>chent$add_soil_sorption()</code><a class="anchor" aria-label="anchor" href="#chent-add-soil-sorption-"></a></h3>
 <p>Add soil sorption data</p><div class="section">
 <h4 id="usage-12">Usage<a class="anchor" aria-label="anchor" href="#usage-12"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">add_soil_sorption</span><span class="op">(</span></span>
@@ -628,72 +577,59 @@ the technical active ingredient</p></dd>
 <span>  <span class="va">source</span>,</span>
 <span>  page <span class="op">=</span> <span class="cn">NA</span></span>
 <span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-12">Arguments<a class="anchor" aria-label="anchor" href="#arguments-12"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>soils</code></dt>
 <dd><p>Names of the soils</p></dd>
 
-
-<dt><code>Kf</code></dt>
+      <dt><code>Kf</code></dt>
 <dd><p>The sorption constant in L/kg, either linear (then <code>N</code> is 1)
 or according to Freundlich</p></dd>
 
-
-<dt><code>Kfoc</code></dt>
+      <dt><code>Kfoc</code></dt>
 <dd><p>The constant from above, normalised to soil organic carbon</p></dd>
 
-
-<dt><code>N</code></dt>
+      <dt><code>N</code></dt>
 <dd><p>The Freundlich exponent</p></dd>
 
-
-<dt><code>type</code></dt>
+      <dt><code>type</code></dt>
 <dd><p>The soil type</p></dd>
 
-
-<dt><code>pH_orig</code></dt>
+      <dt><code>pH_orig</code></dt>
 <dd><p>The pH stated in the study</p></dd>
 
-
-<dt><code>pH_medium</code></dt>
+      <dt><code>pH_medium</code></dt>
 <dd><p>The medium in which this pH was measured</p></dd>
 
-
-<dt><code>pH_H2O</code></dt>
+      <dt><code>pH_H2O</code></dt>
 <dd><p>The pH extrapolated to pure water</p></dd>
 
-
-<dt><code>perc_OC</code></dt>
+      <dt><code>perc_OC</code></dt>
 <dd><p>The percentage of organic carbon in the soil</p></dd>
 
-
-<dt><code>perc_clay</code></dt>
+      <dt><code>perc_clay</code></dt>
 <dd><p>The percentage of clay in the soil</p></dd>
 
-
-<dt><code>CEC</code></dt>
+      <dt><code>CEC</code></dt>
 <dd><p>The cation exchange capacity</p></dd>
 
-
-<dt><code>remark</code></dt>
+      <dt><code>remark</code></dt>
 <dd><p>A remark</p></dd>
 
-
-<dt><code>source</code></dt>
+      <dt><code>source</code></dt>
 <dd><p>An acronym specifying the source of the information</p></dd>
 
-
-<dt><code>page</code></dt>
+      <dt><code>page</code></dt>
 <dd><p>The page from which the information was taken</p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</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>
+</div>
+
+<p></p><hr><a id="method-chent-pdf"></a><div class="section">
+<h3 id="chent-pdf-"><code>chent$pdf()</code><a class="anchor" aria-label="anchor" href="#chent-pdf-"></a></h3>
 <p>Write a PDF image of the structure</p><div class="section">
 <h4 id="usage-13">Usage<a class="anchor" aria-label="anchor" href="#usage-13"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">pdf</span><span class="op">(</span></span>
@@ -701,27 +637,25 @@ or according to Freundlich</p></dd>
 <span>  dir <span class="op">=</span> <span class="st">"structures/pdf"</span>,</span>
 <span>  template <span class="op">=</span> <span class="cn">NULL</span></span>
 <span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-13">Arguments<a class="anchor" aria-label="anchor" href="#arguments-13"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>file</code></dt>
 <dd><p>The file to write to</p></dd>
 
-
-<dt><code>dir</code></dt>
+      <dt><code>dir</code></dt>
 <dd><p>The directory to write the file to</p></dd>
 
-
-<dt><code>template</code></dt>
+      <dt><code>template</code></dt>
 <dd><p>An optional SMILES code to be used as template for RDKit</p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</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>
+
+<p></p><hr><a id="method-chent-png"></a><div class="section">
+<h3 id="chent-png-"><code>chent$png()</code><a class="anchor" aria-label="anchor" href="#chent-png-"></a></h3>
 <p>Write a PNG image of the structure</p><div class="section">
 <h4 id="usage-14">Usage<a class="anchor" aria-label="anchor" href="#usage-14"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">png</span><span class="op">(</span></span>
@@ -729,53 +663,48 @@ or according to Freundlich</p></dd>
 <span>  dir <span class="op">=</span> <span class="st">"structures/png"</span>,</span>
 <span>  antialias <span class="op">=</span> <span class="st">"gray"</span></span>
 <span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-14">Arguments<a class="anchor" aria-label="anchor" href="#arguments-14"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>file</code></dt>
 <dd><p>The file to write to</p></dd>
 
-
-<dt><code>dir</code></dt>
+      <dt><code>dir</code></dt>
 <dd><p>The directory to write the file to</p></dd>
 
-
-<dt><code>antialias</code></dt>
+      <dt><code>antialias</code></dt>
 <dd><p>Passed to <a href="https://rdrr.io/r/grDevices/png.html" class="external-link">png</a></p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</div><p></p><hr><a id="method-chent-emf"></a><div class="section">
-<h3 id="method-emf-">Method <code>emf()</code><a class="anchor" aria-label="anchor" href="#method-emf-"></a></h3>
+</div>
+
+<p></p><hr><a id="method-chent-emf"></a><div class="section">
+<h3 id="chent-emf-"><code>chent$emf()</code><a class="anchor" aria-label="anchor" href="#chent-emf-"></a></h3>
 <p>Write an EMF image of the structure using <a href="https://rdrr.io/pkg/devEMF/man/emf.html" class="external-link">emf</a></p><div class="section">
 <h4 id="usage-15">Usage<a class="anchor" aria-label="anchor" href="#usage-15"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">emf</span><span class="op">(</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">".emf"</span><span class="op">)</span>, dir <span class="op">=</span> <span class="st">"structures/emf"</span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-15">Arguments<a class="anchor" aria-label="anchor" href="#arguments-15"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>file</code></dt>
 <dd><p>The file to write to</p></dd>
 
-
-<dt><code>dir</code></dt>
+      <dt><code>dir</code></dt>
 <dd><p>The directory to write the file to</p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</div><p></p><hr><a id="method-chent-clone"></a><div class="section">
-<h3 id="method-clone-">Method <code>clone()</code><a class="anchor" aria-label="anchor" href="#method-clone-"></a></h3>
+</div>
+
+<p></p><hr><a id="method-chent-clone"></a><div class="section">
+<h3 id="chent-clone-"><code>chent$clone()</code><a class="anchor" aria-label="anchor" href="#chent-clone-"></a></h3>
 <p>The objects of this class are cloneable with this method.</p><div class="section">
 <h4 id="usage-16">Usage<a class="anchor" aria-label="anchor" href="#usage-16"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">chent</span><span class="op">$</span><span class="fu">clone</span><span class="op">(</span>deep <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-16">Arguments<a class="anchor" aria-label="anchor" href="#arguments-16"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>deep</code></dt>
 <dd><p>Whether to make a deep clone.</p></dd>
@@ -786,6 +715,7 @@ or according to Freundlich</p></dd>
 
 </div>
 
+
     </div>
 
     <div class="section level2">
diff --git a/docs/reference/chent.md b/docs/reference/chent.md
index 40716ce..aeaac75 100644
--- a/docs/reference/chent.md
+++ b/docs/reference/chent.md
@@ -6,7 +6,7 @@ RDKit if RDKit and its python bindings are installed.
 
 ## Format
 
-An [R6::R6Class](https://r6.r-lib.org/reference/R6Class.html) generator
+An [R6Class](https://r6.r-lib.org/reference/R6Class.html) generator
 object
 
 ## Public fields
@@ -103,7 +103,7 @@ object
 
 ### Public methods
 
-- [`chent$new()`](#method-chent-new)
+- [`chent$new()`](#method-chent-initialize)
 
 - [`chent$try_pubchem()`](#method-chent-try_pubchem)
 
@@ -139,7 +139,7 @@ object
 
 ------------------------------------------------------------------------
 
-### Method `new()`
+### `chent$new()`
 
 Creates a new instance of this
 [R6](https://r6.r-lib.org/reference/R6Class.html) class.
@@ -195,7 +195,7 @@ Creates a new instance of this
 
 ------------------------------------------------------------------------
 
-### Method `try_pubchem()`
+### `chent$try_pubchem()`
 
 Try to get chemical information from PubChem
 
@@ -217,7 +217,7 @@ Try to get chemical information from PubChem
 
 ------------------------------------------------------------------------
 
-### Method `get_pubchem()`
+### `chent$get_pubchem()`
 
 Get chemical information from PubChem for a known PubChem CID
 
@@ -233,7 +233,7 @@ Get chemical information from PubChem for a known PubChem CID
 
 ------------------------------------------------------------------------
 
-### Method `get_rdkit()`
+### `chent$get_rdkit()`
 
 Get chemical information from RDKit if available
 
@@ -249,7 +249,7 @@ Get chemical information from RDKit if available
 
 ------------------------------------------------------------------------
 
-### Method `get_chyaml()`
+### `chent$get_chyaml()`
 
 Obtain information from a YAML file
 
@@ -274,7 +274,7 @@ Obtain information from a YAML file
 
 ------------------------------------------------------------------------
 
-### Method `add_p0()`
+### `chent$add_p0()`
 
 Add a vapour pressure
 
@@ -306,7 +306,7 @@ Add a vapour pressure
 
 ------------------------------------------------------------------------
 
-### Method `add_cwsat()`
+### `chent$add_cwsat()`
 
 Add a water solubility
 
@@ -342,7 +342,7 @@ Add a water solubility
 
 ------------------------------------------------------------------------
 
-### Method `add_PUF()`
+### `chent$add_PUF()`
 
 Add a plant uptake factor
 
@@ -375,7 +375,7 @@ Add a plant uptake factor
 
 ------------------------------------------------------------------------
 
-### Method `add_TP()`
+### `chent$add_TP()`
 
 Add a transformation product to the internal list
 
@@ -399,7 +399,7 @@ Add a transformation product to the internal list
 
 ------------------------------------------------------------------------
 
-### Method `add_transformation()`
+### `chent$add_transformation()`
 
 Add a line in the internal dataframe holding observed transformations
 
@@ -444,7 +444,7 @@ Add a line in the internal dataframe holding observed transformations
 
 ------------------------------------------------------------------------
 
-### Method `add_soil_degradation()`
+### `chent$add_soil_degradation()`
 
 Add a line in the internal dataframe holding modelling DT50 values
 
@@ -549,7 +549,7 @@ Add a line in the internal dataframe holding modelling DT50 values
 
 ------------------------------------------------------------------------
 
-### Method `add_soil_ff()`
+### `chent$add_soil_ff()`
 
 Add one or more formation fractions for degradation in soil
 
@@ -585,7 +585,7 @@ Add one or more formation fractions for degradation in soil
 
 ------------------------------------------------------------------------
 
-### Method `add_soil_sorption()`
+### `chent$add_soil_sorption()`
 
 Add soil sorption data
 
@@ -669,7 +669,7 @@ Add soil sorption data
 
 ------------------------------------------------------------------------
 
-### Method [`pdf()`](https://rdrr.io/r/grDevices/pdf.html)
+### `chent$pdf()`
 
 Write a PDF image of the structure
 
@@ -697,7 +697,7 @@ Write a PDF image of the structure
 
 ------------------------------------------------------------------------
 
-### Method [`png()`](https://rdrr.io/r/grDevices/png.html)
+### `chent$png()`
 
 Write a PNG image of the structure
 
@@ -725,7 +725,7 @@ Write a PNG image of the structure
 
 ------------------------------------------------------------------------
 
-### Method `emf()`
+### `chent$emf()`
 
 Write an EMF image of the structure using
 [emf](https://rdrr.io/pkg/devEMF/man/emf.html)
@@ -746,7 +746,7 @@ Write an EMF image of the structure using
 
 ------------------------------------------------------------------------
 
-### Method `clone()`
+### `chent$clone()`
 
 The objects of this class are cloneable with this method.
 
diff --git a/docs/reference/draw_svg.chent.html b/docs/reference/draw_svg.chent.html
index dd50cd9..8bea16c 100644
--- a/docs/reference/draw_svg.chent.html
+++ b/docs/reference/draw_svg.chent.html
@@ -7,7 +7,7 @@
 
     <a class="navbar-brand me-2" href="../index.html">chents</a>
 
-    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.0</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.2</small>
 
 
     <button class="navbar-toggler" type="button" data-bs-toggle="collapse" data-bs-target="#navbar" aria-controls="navbar" aria-expanded="false" aria-label="Toggle navigation">
@@ -82,7 +82,7 @@
 </div>
 
 <div class="pkgdown-footer-right">
-  <p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.1.3.</p>
+  <p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.2.0.</p>
 </div>
 
     </footer></div>
diff --git a/docs/reference/figures/README-unnamed-chunk-5-1.png b/docs/reference/figures/README-unnamed-chunk-5-1.png
index bf6cdb4..7e7352d 100644
--- a/docs/reference/figures/README-unnamed-chunk-5-1.png
+++ b/docs/reference/figures/README-unnamed-chunk-5-1.png
diff --git a/docs/reference/figures/README-unnamed-chunk-6-1.png b/docs/reference/figures/README-unnamed-chunk-6-1.png
new file mode 100644
index 0000000..bf6cdb4
--- /dev/null
+++ b/docs/reference/figures/README-unnamed-chunk-6-1.png
diff --git a/docs/reference/index.html b/docs/reference/index.html
index 52b7cfb..929f683 100644
--- a/docs/reference/index.html
+++ b/docs/reference/index.html
@@ -7,7 +7,7 @@
 
     <a class="navbar-brand me-2" href="../index.html">chents</a>
 
-    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.1</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.2</small>
 
 
     <button class="navbar-toggler" type="button" data-bs-toggle="collapse" data-bs-target="#navbar" aria-controls="navbar" aria-expanded="false" aria-label="Toggle navigation">
diff --git a/docs/reference/pai.html b/docs/reference/pai.html
index 29f9368..269a1d2 100644
--- a/docs/reference/pai.html
+++ b/docs/reference/pai.html
@@ -15,7 +15,7 @@ bcpc_query."></head><body>
 
     <a class="navbar-brand me-2" href="../index.html">chents</a>
 
-    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.1</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.2</small>
 
 
     <button class="navbar-toggler" type="button" data-bs-toggle="collapse" data-bs-target="#navbar" aria-controls="navbar" aria-expanded="false" aria-label="Toggle navigation">
@@ -56,7 +56,7 @@ the complete result of querying the BCPC compendium using
     </div>
     <div class="section level2">
     <h2 id="super-class">Super class<a class="anchor" aria-label="anchor" href="#super-class"></a></h2>
-    <p><code><a href="chent.html">chents::chent</a></code> -&gt; <code>pai</code></p>
+    <p><code><a href="chent.html">chent</a></code> -&gt; <code>pai</code></p>
     </div>
     <div class="section level2">
     <h2 id="public-fields">Public fields<a class="anchor" aria-label="anchor" href="#public-fields"></a></h2>
@@ -64,7 +64,7 @@ the complete result of querying the BCPC compendium using
 <dd><p>ISO common name of the active ingredient according to ISO 1750</p></dd>
 
 
-<dt><code>bcpc</code></dt>
+    <dt><code>bcpc</code></dt>
 <dd><p>Information retrieved from the BCPC compendium available online
 at &lt;pesticidecompendium.bcpc.org&gt;</p></dd>
 
@@ -76,26 +76,25 @@ at &lt;pesticidecompendium.bcpc.org&gt;</p></dd>
 
 <div class="section">
 <h3 id="public-methods">Public methods<a class="anchor" aria-label="anchor" href="#public-methods"></a></h3>
-
-<ul><li><p><a href="#method-pai-new"><code>pai$new()</code></a></p></li>
+<p></p><ul><li><p><a href="#method-pai-initialize"><code>pai$new()</code></a></p></li>
 <li><p><a href="#method-pai-clone"><code>pai$clone()</code></a></p></li>
-</ul></div><p><details><summary>Inherited methods</summary><ul><li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_PUF"><a href="chent.html#method-add_PUF"><code>chents::chent$add_PUF()</code></a></span></li>
-<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_TP"><a href="chent.html#method-add_TP"><code>chents::chent$add_TP()</code></a></span></li>
-<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_cwsat"><a href="chent.html#method-add_cwsat"><code>chents::chent$add_cwsat()</code></a></span></li>
-<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_p0"><a href="chent.html#method-add_p0"><code>chents::chent$add_p0()</code></a></span></li>
-<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_soil_degradation"><a href="chent.html#method-add_soil_degradation"><code>chents::chent$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="chent.html#method-add_soil_ff"><code>chents::chent$add_soil_ff()</code></a></span></li>
-<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_soil_sorption"><a href="chent.html#method-add_soil_sorption"><code>chents::chent$add_soil_sorption()</code></a></span></li>
-<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_transformation"><a href="chent.html#method-add_transformation"><code>chents::chent$add_transformation()</code></a></span></li>
-<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="emf"><a href="chent.html#method-emf"><code>chents::chent$emf()</code></a></span></li>
-<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="get_chyaml"><a href="chent.html#method-get_chyaml"><code>chents::chent$get_chyaml()</code></a></span></li>
-<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="get_pubchem"><a href="chent.html#method-get_pubchem"><code>chents::chent$get_pubchem()</code></a></span></li>
-<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="get_rdkit"><a href="chent.html#method-get_rdkit"><code>chents::chent$get_rdkit()</code></a></span></li>
-<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="pdf"><a href="chent.html#method-pdf"><code>chents::chent$pdf()</code></a></span></li>
-<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="png"><a href="chent.html#method-png"><code>chents::chent$png()</code></a></span></li>
-<li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="try_pubchem"><a href="chent.html#method-try_pubchem"><code>chents::chent$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>
+</ul></div><p><details><summary>Inherited methods</summary><ul><li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_PUF"><a href="chent.html#method-add_PUF"><code>chent$add_PUF()</code></a></span></li>
+  <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_TP"><a href="chent.html#method-add_TP"><code>chent$add_TP()</code></a></span></li>
+  <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_cwsat"><a href="chent.html#method-add_cwsat"><code>chent$add_cwsat()</code></a></span></li>
+  <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_p0"><a href="chent.html#method-add_p0"><code>chent$add_p0()</code></a></span></li>
+  <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_soil_degradation"><a href="chent.html#method-add_soil_degradation"><code>chent$add_soil_degradation()</code></a></span></li>
+  <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_soil_ff"><a href="chent.html#method-add_soil_ff"><code>chent$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="chent.html#method-add_soil_sorption"><code>chent$add_soil_sorption()</code></a></span></li>
+  <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="add_transformation"><a href="chent.html#method-add_transformation"><code>chent$add_transformation()</code></a></span></li>
+  <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="emf"><a href="chent.html#method-emf"><code>chent$emf()</code></a></span></li>
+  <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="get_chyaml"><a href="chent.html#method-get_chyaml"><code>chent$get_chyaml()</code></a></span></li>
+  <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="get_pubchem"><a href="chent.html#method-get_pubchem"><code>chent$get_pubchem()</code></a></span></li>
+  <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="get_rdkit"><a href="chent.html#method-get_rdkit"><code>chent$get_rdkit()</code></a></span></li>
+  <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="pdf"><a href="chent.html#method-pdf"><code>chent$pdf()</code></a></span></li>
+  <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="png"><a href="chent.html#method-png"><code>chent$png()</code></a></span></li>
+  <li><span class="pkg-link" data-pkg="chents" data-topic="chent" data-id="try_pubchem"><a href="chent.html#method-try_pubchem"><code>chent$try_pubchem()</code></a></span></li>
+</ul></details></p><hr><a id="method-pai-initialize"></a><div class="section">
+<h3 id="pai-new-"><code>pai$new()</code><a class="anchor" aria-label="anchor" href="#pai-new-"></a></h3>
 <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>
@@ -110,66 +109,55 @@ at &lt;pesticidecompendium.bcpc.org&gt;</p></dd>
 <span>  template <span class="op">=</span> <span class="cn">NULL</span>,</span>
 <span>  chyaml <span class="op">=</span> <span class="cn">FALSE</span></span>
 <span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments">Arguments<a class="anchor" aria-label="anchor" href="#arguments"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>iso</code></dt>
 <dd><p>The ISO common name to be used in the query of the
 BCPC compendium</p></dd>
 
-
-<dt><code>identifier</code></dt>
+      <dt><code>identifier</code></dt>
 <dd><p>Alternative identifier used for querying pubchem</p></dd>
 
-
-<dt><code>smiles</code></dt>
+      <dt><code>smiles</code></dt>
 <dd><p>Optional user provided SMILES code</p></dd>
 
-
-<dt><code>inchikey</code></dt>
+      <dt><code>inchikey</code></dt>
 <dd><p>Optional user provided InChI Key</p></dd>
 
-
-<dt><code>bcpc</code></dt>
+      <dt><code>bcpc</code></dt>
 <dd><p>Should the BCPC compendium be queried?</p></dd>
 
-
-<dt><code>pubchem</code></dt>
+      <dt><code>pubchem</code></dt>
 <dd><p>Should an attempt be made to retrieve chemical
 information from PubChem via the webchem package?</p></dd>
 
-
-<dt><code>pubchem_from</code></dt>
+      <dt><code>pubchem_from</code></dt>
 <dd><p>Possibility to select the argument
 that is used to query pubchem</p></dd>
 
-
-<dt><code>rdkit</code></dt>
+      <dt><code>rdkit</code></dt>
 <dd><p>Should an attempt be made to retrieve chemical
 information from a local rdkit installation via python
 and the reticulate package?</p></dd>
 
-
-<dt><code>template</code></dt>
+      <dt><code>template</code></dt>
 <dd><p>An optional SMILES code to be used as template for RDKit</p></dd>
 
-
-<dt><code>chyaml</code></dt>
+      <dt><code>chyaml</code></dt>
 <dd><p>Should we look for a identifier.yaml file in the working</p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</div><p></p><hr><a id="method-pai-clone"></a><div class="section">
-<h3 id="method-clone-">Method <code>clone()</code><a class="anchor" aria-label="anchor" href="#method-clone-"></a></h3>
+</div>
+
+<p></p><hr><a id="method-pai-clone"></a><div class="section">
+<h3 id="pai-clone-"><code>pai$clone()</code><a class="anchor" aria-label="anchor" href="#pai-clone-"></a></h3>
 <p>The objects of this class are cloneable with this method.</p><div class="section">
 <h4 id="usage-1">Usage<a class="anchor" aria-label="anchor" href="#usage-1"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">pai</span><span class="op">$</span><span class="fu">clone</span><span class="op">(</span>deep <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-1">Arguments<a class="anchor" aria-label="anchor" href="#arguments-1"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>deep</code></dt>
 <dd><p>Whether to make a deep clone.</p></dd>
@@ -180,6 +168,7 @@ and the reticulate package?</p></dd>
 
 </div>
 
+
     </div>
 
     <div class="section level2">
@@ -224,7 +213,7 @@ and the reticulate package?</p></dd>
 <span class="r-out co"><span class="r-pr">#&gt;</span> "CCCCCCCCCCO" </span>
 <span class="r-out co"><span class="r-pr">#&gt;</span> Molecular weight $mw: 158.3 </span>
 <span class="r-out co"><span class="r-pr">#&gt;</span> PubChem synonyms (up to 10):</span>
-<span class="r-out co"><span class="r-pr">#&gt;</span>  [1] "1-DECANOL"       "Decan-1-ol"      "Decyl alcohol"   "112-30-1"       </span>
+<span class="r-out co"><span class="r-pr">#&gt;</span>  [1] "1-DECANOL"       "Decyl alcohol"   "Decan-1-ol"      "112-30-1"       </span>
 <span class="r-out co"><span class="r-pr">#&gt;</span>  [5] "n-Decyl alcohol" "n-Decanol"       "Capric alcohol"  "Nonylcarbinol"  </span>
 <span class="r-out co"><span class="r-pr">#&gt;</span>  [9] "Antak"           "Royaltac"       </span>
 <span class="r-in"><span><span class="co"># }</span></span></span>
diff --git a/docs/reference/pai.md b/docs/reference/pai.md
index 2291653..b957cb2 100644
--- a/docs/reference/pai.md
+++ b/docs/reference/pai.md
@@ -16,8 +16,7 @@ object
 
 ## Super class
 
-[`chents::chent`](https://pkgdown.jrwb.de/chents/reference/chent.md) -\>
-`pai`
+[`chent`](https://pkgdown.jrwb.de/chents/reference/chent.md) -\> `pai`
 
 ## Public fields
 
@@ -34,31 +33,31 @@ object
 
 ### Public methods
 
-- [`pai$new()`](#method-pai-new)
+- [`pai$new()`](#method-pai-initialize)
 
 - [`pai$clone()`](#method-pai-clone)
 
 Inherited methods
 
-- [`chents::chent$add_PUF()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_PUF)
-- [`chents::chent$add_TP()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_TP)
-- [`chents::chent$add_cwsat()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_cwsat)
-- [`chents::chent$add_p0()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_p0)
-- [`chents::chent$add_soil_degradation()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_soil_degradation)
-- [`chents::chent$add_soil_ff()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_soil_ff)
-- [`chents::chent$add_soil_sorption()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_soil_sorption)
-- [`chents::chent$add_transformation()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_transformation)
-- [`chents::chent$emf()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-emf)
-- [`chents::chent$get_chyaml()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-get_chyaml)
-- [`chents::chent$get_pubchem()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-get_pubchem)
-- [`chents::chent$get_rdkit()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-get_rdkit)
-- [`chents::chent$pdf()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-pdf)
-- [`chents::chent$png()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-png)
-- [`chents::chent$try_pubchem()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-try_pubchem)
+- [`chent$add_PUF()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_PUF)
+- [`chent$add_TP()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_TP)
+- [`chent$add_cwsat()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_cwsat)
+- [`chent$add_p0()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_p0)
+- [`chent$add_soil_degradation()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_soil_degradation)
+- [`chent$add_soil_ff()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_soil_ff)
+- [`chent$add_soil_sorption()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_soil_sorption)
+- [`chent$add_transformation()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-add_transformation)
+- [`chent$emf()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-emf)
+- [`chent$get_chyaml()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-get_chyaml)
+- [`chent$get_pubchem()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-get_pubchem)
+- [`chent$get_rdkit()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-get_rdkit)
+- [`chent$pdf()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-pdf)
+- [`chent$png()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-png)
+- [`chent$try_pubchem()`](https://pkgdown.jrwb.de/chents/reference/chent.html#method-try_pubchem)
 
 ------------------------------------------------------------------------
 
-### Method `new()`
+### `pai$new()`
 
 Create a new pai object
 
@@ -123,7 +122,7 @@ Create a new pai object
 
 ------------------------------------------------------------------------
 
-### Method `clone()`
+### `pai$clone()`
 
 The objects of this class are cloneable with this method.
 
@@ -180,7 +179,7 @@ print(decanol)
 #> "CCCCCCCCCCO" 
 #> Molecular weight $mw: 158.3 
 #> PubChem synonyms (up to 10):
-#>  [1] "1-DECANOL"       "Decan-1-ol"      "Decyl alcohol"   "112-30-1"       
+#>  [1] "1-DECANOL"       "Decyl alcohol"   "Decan-1-ol"      "112-30-1"       
 #>  [5] "n-Decyl alcohol" "n-Decanol"       "Capric alcohol"  "Nonylcarbinol"  
 #>  [9] "Antak"           "Royaltac"       
 # }
diff --git a/docs/reference/plot.chent.html b/docs/reference/plot.chent.html
index c33b732..babdadc 100644
--- a/docs/reference/plot.chent.html
+++ b/docs/reference/plot.chent.html
@@ -7,7 +7,7 @@
 
     <a class="navbar-brand me-2" href="../index.html">chents</a>
 
-    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.1</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.2</small>
 
 
     <button class="navbar-toggler" type="button" data-bs-toggle="collapse" data-bs-target="#navbar" aria-controls="navbar" aria-expanded="false" aria-label="Toggle navigation">
diff --git a/docs/reference/ppp.html b/docs/reference/ppp.html
index 29ce898..fb10259 100644
--- a/docs/reference/ppp.html
+++ b/docs/reference/ppp.html
@@ -9,7 +9,7 @@ product"></head><body>
 
     <a class="navbar-brand me-2" href="../index.html">chents</a>
 
-    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.1</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.2</small>
 
 
     <button class="navbar-toggler" type="button" data-bs-toggle="collapse" data-bs-target="#navbar" aria-controls="navbar" aria-expanded="false" aria-label="Toggle navigation">
@@ -51,23 +51,23 @@ product</p>
 <dd><p>The name of the product</p></dd>
 
 
-<dt><code>ais</code></dt>
+    <dt><code>ais</code></dt>
 <dd><p>A list of active ingredients</p></dd>
 
 
-<dt><code>concentrations</code></dt>
+    <dt><code>concentrations</code></dt>
 <dd><p>The concentration of the ais</p></dd>
 
 
-<dt><code>concentration_units</code></dt>
+    <dt><code>concentration_units</code></dt>
 <dd><p>Defaults to g/L</p></dd>
 
 
-<dt><code>density</code></dt>
+    <dt><code>density</code></dt>
 <dd><p>The density of the product</p></dd>
 
 
-<dt><code>density_units</code></dt>
+    <dt><code>density_units</code></dt>
 <dd><p>Defaults to g/L</p></dd>
 
 
@@ -78,11 +78,10 @@ product</p>
 
 <div class="section">
 <h3 id="public-methods">Public methods<a class="anchor" aria-label="anchor" href="#public-methods"></a></h3>
-
-<ul><li><p><a href="#method-ppp-new"><code>ppp$new()</code></a></p></li>
+<p></p><ul><li><p><a href="#method-ppp-initialize"><code>ppp$new()</code></a></p></li>
 <li><p><a href="#method-ppp-clone"><code>ppp$clone()</code></a></p></li>
-</ul></div><p></p><hr><a id="method-ppp-new"></a><div class="section">
-<h3 id="method-new-">Method <code>new()</code><a class="anchor" aria-label="anchor" href="#method-new-"></a></h3>
+</ul></div><p></p><hr><a id="method-ppp-initialize"></a><div class="section">
+<h3 id="ppp-new-"><code>ppp$new()</code><a class="anchor" aria-label="anchor" href="#ppp-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><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>
@@ -93,45 +92,38 @@ product</p>
 <span>  density <span class="op">=</span> <span class="fl">1000</span>,</span>
 <span>  density_units <span class="op">=</span> <span class="st">"g/L"</span></span>
 <span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments">Arguments<a class="anchor" aria-label="anchor" href="#arguments"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>name</code></dt>
 <dd><p>The name of the product</p></dd>
 
-
-<dt><code>...</code></dt>
+      <dt><code>...</code></dt>
 <dd><p>Identifiers of the active ingredients</p></dd>
 
-
-<dt><code>concentrations</code></dt>
+      <dt><code>concentrations</code></dt>
 <dd><p>Concentrations of the active ingredients</p></dd>
 
-
-<dt><code>concentration_units</code></dt>
+      <dt><code>concentration_units</code></dt>
 <dd><p>Defaults to g/L</p></dd>
 
-
-<dt><code>density</code></dt>
+      <dt><code>density</code></dt>
 <dd><p>The density</p></dd>
 
-
-<dt><code>density_units</code></dt>
+      <dt><code>density_units</code></dt>
 <dd><p>Defaults to g/L</p></dd>
 
 
 </dl><p></p></div>
 </div>
 
-</div><p></p><hr><a id="method-ppp-clone"></a><div class="section">
-<h3 id="method-clone-">Method <code>clone()</code><a class="anchor" aria-label="anchor" href="#method-clone-"></a></h3>
+</div>
+
+<p></p><hr><a id="method-ppp-clone"></a><div class="section">
+<h3 id="ppp-clone-"><code>ppp$clone()</code><a class="anchor" aria-label="anchor" href="#ppp-clone-"></a></h3>
 <p>The objects of this class are cloneable with this method.</p><div class="section">
 <h4 id="usage-1">Usage<a class="anchor" aria-label="anchor" href="#usage-1"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va">ppp</span><span class="op">$</span><span class="fu">clone</span><span class="op">(</span>deep <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
-
-<div class="section">
+</div><p></p><div class="section">
 <h4 id="arguments-1">Arguments<a class="anchor" aria-label="anchor" href="#arguments-1"></a></h4>
 <p></p><div class="arguments"><dl><dt><code>deep</code></dt>
 <dd><p>Whether to make a deep clone.</p></dd>
@@ -142,6 +134,7 @@ product</p>
 
 </div>
 
+
     </div>
 
   </main><aside class="col-md-3"><nav id="toc" aria-label="Table of contents"><h2>On this page</h2>
diff --git a/docs/reference/ppp.md b/docs/reference/ppp.md
index 77ff2b6..12293c5 100644
--- a/docs/reference/ppp.md
+++ b/docs/reference/ppp.md
@@ -37,13 +37,13 @@ object.
 
 ### Public methods
 
-- [`ppp$new()`](#method-ppp-new)
+- [`ppp$new()`](#method-ppp-initialize)
 
 - [`ppp$clone()`](#method-ppp-clone)
 
 ------------------------------------------------------------------------
 
-### Method `new()`
+### `ppp$new()`
 
 Creates a new instance of this
 [R6](https://r6.r-lib.org/reference/R6Class.html) class.
@@ -87,7 +87,7 @@ Creates a new instance of this
 
 ------------------------------------------------------------------------
 
-### Method `clone()`
+### `ppp$clone()`
 
 The objects of this class are cloneable with this method.
 
diff --git a/docs/reference/print.chent.html b/docs/reference/print.chent.html
index 223c190..1d7e75a 100644
--- a/docs/reference/print.chent.html
+++ b/docs/reference/print.chent.html
@@ -7,7 +7,7 @@
 
     <a class="navbar-brand me-2" href="../index.html">chents</a>
 
-    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.0</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.2</small>
 
 
     <button class="navbar-toggler" type="button" data-bs-toggle="collapse" data-bs-target="#navbar" aria-controls="navbar" aria-expanded="false" aria-label="Toggle navigation">
@@ -65,7 +65,7 @@
 </div>
 
 <div class="pkgdown-footer-right">
-  <p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.1.3.</p>
+  <p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.2.0.</p>
 </div>
 
     </footer></div>
diff --git a/docs/reference/print.pai.html b/docs/reference/print.pai.html
index b59d738..29c88df 100644
--- a/docs/reference/print.pai.html
+++ b/docs/reference/print.pai.html
@@ -7,7 +7,7 @@
 
     <a class="navbar-brand me-2" href="../index.html">chents</a>
 
-    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.0</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.2</small>
 
 
     <button class="navbar-toggler" type="button" data-bs-toggle="collapse" data-bs-target="#navbar" aria-controls="navbar" aria-expanded="false" aria-label="Toggle navigation">
@@ -65,7 +65,7 @@
 </div>
 
 <div class="pkgdown-footer-right">
-  <p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.1.3.</p>
+  <p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.2.0.</p>
 </div>
 
     </footer></div>
diff --git a/docs/reference/print.ppp.html b/docs/reference/print.ppp.html
index 63f87ef..6635097 100644
--- a/docs/reference/print.ppp.html
+++ b/docs/reference/print.ppp.html
@@ -7,7 +7,7 @@
 
     <a class="navbar-brand me-2" href="../index.html">chents</a>
 
-    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.0</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.4.2</small>
 
 
     <button class="navbar-toggler" type="button" data-bs-toggle="collapse" data-bs-target="#navbar" aria-controls="navbar" aria-expanded="false" aria-label="Toggle navigation">
@@ -65,7 +65,7 @@
 </div>
 
 <div class="pkgdown-footer-right">
-  <p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.1.3.</p>
+  <p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.2.0.</p>
 </div>
 
     </footer></div>
author	Johannes Ranke <johannes.ranke@jrwb.de>	2026-07-03 11:51:32 +0200
committer	Johannes Ranke <johannes.ranke@jrwb.de>	2026-07-03 11:51:32 +0200
commit	88027b7a70510b48bd7525ffcd536f0808d263e7 (patch)
tree	94f83bd420d494334011ff8f67a27483130fe857 /docs/reference
parent	32caaedcc6b6b8addc9f23fce9dca4188f692fed (diff)