Update online docs

13 files changed, 266 insertions, 105 deletions

diff --git a/docs/reference/Rplot001.png b/docs/reference/Rplot001.png
index ec5af46..0e4970e 100644
--- a/docs/reference/Rplot001.png
+++ b/docs/reference/Rplot001.png
diff --git a/docs/reference/chent-1.png b/docs/reference/chent-1.png
index 9049a55..e763f8e 100644
--- a/docs/reference/chent-1.png
+++ b/docs/reference/chent-1.png
diff --git a/docs/reference/chent.html b/docs/reference/chent.html
index a70e318..0a74440 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="">0.3.6</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.3.7</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">
@@ -166,7 +166,8 @@ Add soil sorption data</p></dd>
 <li><p><a href="#method-chent-clone"><code>chent$clone()</code></a></p></li>
 </ul></div><p></p><hr><a id="method-chent-new"></a><div class="section">
 <h3 id="method-new-">Method <code>new()</code><a class="anchor" aria-label="anchor" href="#method-new-"></a></h3>
-<p>Creates a new instance of this <a href="https://r6.r-lib.org/reference/R6Class.html" class="external-link">R6</a> class.</p><div class="section">
+<p>Creates a new instance of this <a href="https://r6.r-lib.org/reference/R6Class.html" class="external-link">R6</a> class.</p>
+<p>Try to get chemical information from PubChem</p><div class="section">
 <h4 id="usage">Usage<a class="anchor" aria-label="anchor" href="#usage"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va"><a href="../reference/chent.html">chent</a></span><span class="op">$</span><span class="fu">new</span><span class="op">(</span></span>
 <span>  <span class="va">identifier</span>,</span>
@@ -176,7 +177,7 @@ Add soil sorption data</p></dd>
 <span>  pubchem_from <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">"name"</span>, <span class="st">"smiles"</span>, <span class="st">"inchikey"</span><span class="op">)</span>,</span>
 <span>  rdkit <span class="op">=</span> <span class="cn">TRUE</span>,</span>
 <span>  template <span class="op">=</span> <span class="cn">NULL</span>,</span>
-<span>  chyaml <span class="op">=</span> <span class="cn">TRUE</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>
 
@@ -216,8 +217,7 @@ and the reticulate package?</p></dd>
 
 <dt><code>chyaml</code></dt>
 <dd><p>Should we look for a identifier.yaml file in the working
-directory?
-Try to get chemical information from PubChem</p></dd>
+directory?</p></dd>
 
 
 </dl><p></p></div>
@@ -256,8 +256,7 @@ Get chemical information from PubChem for a known PubChem CID</p></dd>
 <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
-Get chemical information from RDKit if available</p></dd>
+<dd><p>CID</p></dd>
 
 
 </dl><p></p></div>
@@ -265,8 +264,8 @@ Get chemical information from RDKit if available</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>
-
-<div class="section">
+<p>Get chemical information from RDKit if available
+Obtain information from a YAML file</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>
@@ -274,8 +273,7 @@ Get chemical information from RDKit if available</p></dd>
 <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>Optional template specified as a SMILES code
-Obtain information from a YAML file</p></dd>
+<dd><p>An optional SMILES code to be used as template for RDKit</p></dd>
 
 
 </dl><p></p></div>
@@ -319,7 +317,8 @@ 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</p></dd>
+<dd><p>The vapour pressure in Pa
+Add a water solubility</p></dd>
 
 
 <dt><code>T</code></dt>
@@ -335,8 +334,7 @@ Add a vapour pressure</p></dd>
 
 
 <dt><code>remark</code></dt>
-<dd><p>A remark
-Add a water solubility</p></dd>
+<dd><p>A remark</p></dd>
 
 
 </dl><p></p></div>
@@ -353,7 +351,8 @@ 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</p></dd>
+<dd><p>The water solubility in mg/L
+Add a plant uptake factor</p></dd>
 
 
 <dt><code>T</code></dt>
@@ -361,7 +360,7 @@ Add a water solubility</p></dd>
 
 
 <dt><code>pH</code></dt>
-<dd><p>The pH value</p></dd>
+<dd><p>pH value</p></dd>
 
 
 <dt><code>source</code></dt>
@@ -373,8 +372,7 @@ Add a water solubility</p></dd>
 
 
 <dt><code>remark</code></dt>
-<dd><p>A remark
-Add a plant uptake factor</p></dd>
+<dd><p>A remark</p></dd>
 
 
 </dl><p></p></div>
@@ -429,7 +427,7 @@ Add a plant uptake factor</p></dd>
 
 
 <dt><code>smiles</code></dt>
-<dd><p>A SMILES code for defining a chent object</p></dd>
+<dd><p>Optional user provided SMILES code</p></dd>
 
 
 <dt><code>pubchem</code></dt>
@@ -480,7 +478,7 @@ result from stochiometric transformation</p></dd>
 
 
 <dt><code>pages</code></dt>
-<dd><p>The page from which the information was taken</p></dd>
+<dd><p>The pages from which the information was taken</p></dd>
 
 
 </dl><p></p></div>
@@ -615,6 +613,18 @@ the technical active ingredient</p></dd>
 <dd><p>The formation fraction(s)</p></dd>
 
 
+<dt><code>remark</code></dt>
+<dd><p>A remark</p></dd>
+
+
+<dt><code>source</code></dt>
+<dd><p>An acronym specifying the source of the information</p></dd>
+
+
+<dt><code>page</code></dt>
+<dd><p>The page from which the information was taken</p></dd>
+
+
 </dl><p></p></div>
 </div>
 
@@ -643,7 +653,11 @@ the technical active ingredient</p></dd>
 
 <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>Kf</code></dt>
+<p></p><div class="arguments"><dl><dt><code>soils</code></dt>
+<dd><p>Names of the soils</p></dd>
+
+
+<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>
 
@@ -656,13 +670,44 @@ or according to Freundlich</p></dd>
 <dd><p>The Freundlich exponent</p></dd>
 
 
+<dt><code>type</code></dt>
+<dd><p>The soil type</p></dd>
+
+
+<dt><code>pH_orig</code></dt>
+<dd><p>The pH stated in the study</p></dd>
+
+
+<dt><code>pH_medium</code></dt>
+<dd><p>The medium in which this pH was measured</p></dd>
+
+
+<dt><code>pH_H2O</code></dt>
+<dd><p>The pH extrapolated to pure water</p></dd>
+
+
+<dt><code>perc_OC</code></dt>
+<dd><p>The percentage of organic carbon in the soil</p></dd>
+
+
 <dt><code>perc_clay</code></dt>
 <dd><p>The percentage of clay in the soil</p></dd>
 
 
 <dt><code>CEC</code></dt>
-<dd><p>The cation exchange capacity
-Write a PDF image of the structure</p></dd>
+<dd><p>The cation exchange capacity</p></dd>
+
+
+<dt><code>remark</code></dt>
+<dd><p>A remark</p></dd>
+
+
+<dt><code>source</code></dt>
+<dd><p>An acronym specifying the source of the information</p></dd>
+
+
+<dt><code>page</code></dt>
+<dd><p>The page from which the information was taken</p></dd>
 
 
 </dl><p></p></div>
@@ -670,8 +715,8 @@ Write a PDF image of the structure</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>
-
-<div class="section">
+<p>Write a PDF image of the structure
+Write a PNG 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>
@@ -691,8 +736,7 @@ Write a PDF image of the structure</p></dd>
 
 
 <dt><code>template</code></dt>
-<dd><p>A template expressed as SMILES to use in RDKit
-Write a PNG image of the structure</p></dd>
+<dd><p>An optional SMILES code to be used as template for RDKit</p></dd>
 
 
 </dl><p></p></div>
@@ -712,9 +756,16 @@ Write a PNG image of the structure</p></dd>
 
 <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>antialias</code></dt>
-<dd><p>Passed to <a href="https://rdrr.io/r/grDevices/png.html" class="external-link">png</a>
-Write an EMF image of the structure using <a href="https://rdrr.io/pkg/devEMF/man/emf.html" class="external-link">emf</a></p></dd>
+<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>
+<dd><p>The directory to write the file to</p></dd>
+
+
+<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>
@@ -722,8 +773,7 @@ Write an EMF image of the structure using <a href="https://rdrr.io/pkg/devEMF/ma
 
 </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 class="section">
+<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>
@@ -734,6 +784,10 @@ Write an EMF image of the structure using <a href="https://rdrr.io/pkg/devEMF/ma
 <dd><p>The file to write to</p></dd>
 
 
+<dt><code>dir</code></dt>
+<dd><p>The directory to write the file to</p></dd>
+
+
 </dl><p></p></div>
 </div>
 
@@ -762,7 +816,6 @@ Write an EMF image of the structure using <a href="https://rdrr.io/pkg/devEMF/ma
     <div class="sourceCode"><pre class="sourceCode r"><code><span class="r-in"><span><span class="va">oct</span> <span class="op">&lt;-</span> <span class="va">chent</span><span class="op">$</span><span class="fu">new</span><span class="op">(</span><span class="st">"1-octanol"</span>, smiles <span class="op">=</span> <span class="st">"CCCCCCCCO"</span>, pubchem <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span></span></span>
 <span class="r-msg co"><span class="r-pr">#&gt;</span> Trying to get chemical information from RDKit using user SMILES</span>
 <span class="r-msg co"><span class="r-pr">#&gt;</span> CCCCCCCCO</span>
-<span class="r-msg co"><span class="r-pr">#&gt;</span> Did not find chyaml file ./1-octanol.yaml</span>
 <span class="r-in"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">oct</span><span class="op">)</span></span></span>
 <span class="r-out co"><span class="r-pr">#&gt;</span> &lt;chent&gt;</span>
 <span class="r-out co"><span class="r-pr">#&gt;</span> Identifier $identifier 1-octanol </span>
@@ -779,7 +832,6 @@ Write an EMF image of the structure using <a href="https://rdrr.io/pkg/devEMF/ma
 <span class="r-msg co"><span class="r-pr">#&gt;</span> PubChem:</span>
 <span class="r-msg co"><span class="r-pr">#&gt;</span> Trying to get chemical information from RDKit using PubChem_Canonical SMILES</span>
 <span class="r-msg co"><span class="r-pr">#&gt;</span> CN1C=NC2=C1C(=O)N(C(=O)N2C)C</span>
-<span class="r-msg co"><span class="r-pr">#&gt;</span> Did not find chyaml file ./caffeine.yaml</span>
 <span class="r-in"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">caffeine</span><span class="op">)</span></span></span>
 <span class="r-out co"><span class="r-pr">#&gt;</span> &lt;chent&gt;</span>
 <span class="r-out co"><span class="r-pr">#&gt;</span> Identifier $identifier caffeine </span>
diff --git a/docs/reference/draw_svg.chent.html b/docs/reference/draw_svg.chent.html
index 6a6741f..2545578 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="">0.3.6</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.3.7</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/index.html b/docs/reference/index.html
index 12b0201..eccf7a0 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="">0.3.6</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.3.7</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">
@@ -50,6 +50,18 @@
         <dd>An R6 class for chemical entities with associated data</dd>
       </dl><dl><dt>
 
+          <code><a href="pai.html">pai</a></code>
+
+        </dt>
+        <dd>An R6 class for pesticidal active ingredients and associated data</dd>
+      </dl><dl><dt>
+
+          <code><a href="ppp.html">ppp</a></code>
+
+        </dt>
+        <dd>R6 class for a plant protection product with at least one active ingredient</dd>
+      </dl><dl><dt>
+
           <code><a href="draw_svg.chent.html">draw_svg.chent()</a></code>
 
         </dt>
@@ -68,22 +80,16 @@
         <dd>Printing method for chent objects</dd>
       </dl><dl><dt>
 
-          <code><a href="pai.html">pai</a></code>
-
-        </dt>
-        <dd>An R6 class for pesticidal active ingredients and associated data</dd>
-      </dl><dl><dt>
-
           <code><a href="print.pai.html">print(<i>&lt;pai&gt;</i>)</a></code>
 
         </dt>
         <dd>Printing method for pai objects (pesticidal active ingredients)</dd>
       </dl><dl><dt>
 
-          <code><a href="ppp.html">ppp</a></code>
+          <code><a href="print.ppp.html">print(<i>&lt;ppp&gt;</i>)</a></code>
 
         </dt>
-        <dd>R6 class for a plant protection product with at least one active ingredient</dd>
+        <dd>Printing method for ppp objects (plant protection products)</dd>
       </dl></div>
   </main></div>
 
diff --git a/docs/reference/pai-1.png b/docs/reference/pai-1.png
index c567bc2..951bb25 100644
--- a/docs/reference/pai-1.png
+++ b/docs/reference/pai-1.png
diff --git a/docs/reference/pai.html b/docs/reference/pai.html
index 96c6782..30bbbac 100644
--- a/docs/reference/pai.html
+++ b/docs/reference/pai.html
@@ -1,9 +1,13 @@
 <!DOCTYPE html>
-<!-- Generated by pkgdown: do not edit by hand --><html lang="en"><head><meta http-equiv="Content-Type" content="text/html; charset=UTF-8"><meta charset="utf-8"><meta http-equiv="X-UA-Compatible" content="IE=edge"><meta name="viewport" content="width=device-width, initial-scale=1, shrink-to-fit=no"><title>An R6 class for pesticidal active ingredients and associated data — pai • chents</title><script src="../deps/jquery-3.6.0/jquery-3.6.0.min.js"></script><meta name="viewport" content="width=device-width, initial-scale=1, shrink-to-fit=no"><link href="../deps/bootstrap-5.3.1/bootstrap.min.css" rel="stylesheet"><script src="../deps/bootstrap-5.3.1/bootstrap.bundle.min.js"></script><link href="../deps/font-awesome-6.4.2/css/all.min.css" rel="stylesheet"><link href="../deps/font-awesome-6.4.2/css/v4-shims.min.css" rel="stylesheet"><script src="../deps/headroom-0.11.0/headroom.min.js"></script><script src="../deps/headroom-0.11.0/jQuery.headroom.min.js"></script><script src="../deps/bootstrap-toc-1.0.1/bootstrap-toc.min.js"></script><script src="../deps/clipboard.js-2.0.11/clipboard.min.js"></script><script src="../deps/search-1.0.0/autocomplete.jquery.min.js"></script><script src="../deps/search-1.0.0/fuse.min.js"></script><script src="../deps/search-1.0.0/mark.min.js"></script><!-- pkgdown --><script src="../pkgdown.js"></script><meta property="og:title" content="An R6 class for pesticidal active ingredients and associated data — pai"><meta name="description" content="The class is initialised with an identifier which is generally
-an ISO common name.  Additional chemical information is retrieved from the
-internet if available."><meta property="og:description" content="The class is initialised with an identifier which is generally
-an ISO common name.  Additional chemical information is retrieved from the
-internet if available."></head><body>
+<!-- Generated by pkgdown: do not edit by hand --><html lang="en"><head><meta http-equiv="Content-Type" content="text/html; charset=UTF-8"><meta charset="utf-8"><meta http-equiv="X-UA-Compatible" content="IE=edge"><meta name="viewport" content="width=device-width, initial-scale=1, shrink-to-fit=no"><title>An R6 class for pesticidal active ingredients and associated data — pai • chents</title><script src="../deps/jquery-3.6.0/jquery-3.6.0.min.js"></script><meta name="viewport" content="width=device-width, initial-scale=1, shrink-to-fit=no"><link href="../deps/bootstrap-5.3.1/bootstrap.min.css" rel="stylesheet"><script src="../deps/bootstrap-5.3.1/bootstrap.bundle.min.js"></script><link href="../deps/font-awesome-6.4.2/css/all.min.css" rel="stylesheet"><link href="../deps/font-awesome-6.4.2/css/v4-shims.min.css" rel="stylesheet"><script src="../deps/headroom-0.11.0/headroom.min.js"></script><script src="../deps/headroom-0.11.0/jQuery.headroom.min.js"></script><script src="../deps/bootstrap-toc-1.0.1/bootstrap-toc.min.js"></script><script src="../deps/clipboard.js-2.0.11/clipboard.min.js"></script><script src="../deps/search-1.0.0/autocomplete.jquery.min.js"></script><script src="../deps/search-1.0.0/fuse.min.js"></script><script src="../deps/search-1.0.0/mark.min.js"></script><!-- pkgdown --><script src="../pkgdown.js"></script><meta property="og:title" content="An R6 class for pesticidal active ingredients and associated data — pai"><meta name="description" content="This class is derived from chent. It makes it easy
+to create a chent from the ISO common name of a pesticide active
+ingredient, and additionally stores the ISO name as well as
+the complete result of querying the BCPC compendium using
+bcpc_query."><meta property="og:description" content="This class is derived from chent. It makes it easy
+to create a chent from the ISO common name of a pesticide active
+ingredient, and additionally stores the ISO name as well as
+the complete result of querying the BCPC compendium using
+bcpc_query."></head><body>
     <a href="#main" class="visually-hidden-focusable">Skip to contents</a>
 
 
@@ -11,7 +15,7 @@ internet if available."></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="">0.3.6</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.3.7</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">
@@ -38,9 +42,11 @@ internet if available."></head><body>
     </div>
 
     <div class="ref-description section level2">
-    <p>The class is initialised with an identifier which is generally
-an ISO common name.  Additional chemical information is retrieved from the
-internet if available.</p>
+    <p>This class is derived from <a href="chent.html">chent</a>. It makes it easy
+to create a <a href="chent.html">chent</a> from the ISO common name of a pesticide active
+ingredient, and additionally stores the ISO name as well as
+the complete result of querying the BCPC compendium using
+<a href="https://docs.ropensci.org/webchem/reference/bcpc_query.html" class="external-link">bcpc_query</a>.</p>
     </div>
 
 
@@ -60,8 +66,7 @@ internet if available.</p>
 
 <dt><code>bcpc</code></dt>
 <dd><p>Information retrieved from the BCPC compendium available online
-at &lt;pesticidecompendium.bcpc.org&gt;
-Creates a new instance of this <a href="https://r6.r-lib.org/reference/R6Class.html" class="external-link">R6</a> class.</p></dd>
+at &lt;pesticidecompendium.bcpc.org&gt;</p></dd>
 
 
 </dl><p></p></div>
@@ -91,11 +96,8 @@ Creates a new instance of this <a href="https://r6.r-lib.org/reference/R6Class.h
 <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$try_pubchem()</code></a></span></li>
 </ul></details></p><hr><a id="method-pai-new"></a><div class="section">
 <h3 id="method-new-">Method <code>new()</code><a class="anchor" aria-label="anchor" href="#method-new-"></a></h3>
-<p>This class is derived from <a href="chent.html">chent</a>. It makes it easy
-to create a <a href="chent.html">chent</a> from the ISO common name of a pesticide active
-ingredient, and additionally stores the ISO name as well as
-the complete result of querying the BCPC compendium using
-<a href="https://docs.ropensci.org/webchem/reference/bcpc_query.html" class="external-link">bcpc_query</a>.</p><div class="section">
+
+<div class="section">
 <h4 id="usage">Usage<a class="anchor" aria-label="anchor" href="#usage"></a></h4>
 <p></p><div class="r"><div class="sourceCode"><pre><code><span><span class="va"><a href="../reference/pai.html">pai</a></span><span class="op">$</span><span class="fu">new</span><span class="op">(</span></span>
 <span>  <span class="va">iso</span>,</span>
@@ -107,7 +109,7 @@ the complete result of querying the BCPC compendium using
 <span>  pubchem_from <span class="op">=</span> <span class="st">"auto"</span>,</span>
 <span>  rdkit <span class="op">=</span> <span class="cn">TRUE</span>,</span>
 <span>  template <span class="op">=</span> <span class="cn">NULL</span>,</span>
-<span>  chyaml <span class="op">=</span> <span class="cn">TRUE</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>
 
@@ -122,6 +124,42 @@ BCPC compendium</p></dd>
 <dd><p>Alternative identifier used for querying pubchem</p></dd>
 
 
+<dt><code>smiles</code></dt>
+<dd><p>Optional user provided SMILES code</p></dd>
+
+
+<dt><code>inchikey</code></dt>
+<dd><p>Optional user provided InChI Key</p></dd>
+
+
+<dt><code>bcpc</code></dt>
+<dd><p>Should the BCPC compendium be queried?</p></dd>
+
+
+<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>
+<dd><p>Possibility to select the argument
+that is used to query pubchem</p></dd>
+
+
+<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>
+<dd><p>An optional SMILES code to be used as template for RDKit</p></dd>
+
+
+<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>
 
@@ -163,7 +201,6 @@ BCPC compendium</p></dd>
 <span class="r-msg co"><span class="r-pr">#&gt;</span> PubChem:</span>
 <span class="r-msg co"><span class="r-pr">#&gt;</span> Trying to get chemical information from RDKit using PubChem_Canonical SMILES</span>
 <span class="r-msg co"><span class="r-pr">#&gt;</span> CCNC1=NC(=NC(=N1)Cl)NC(C)C</span>
-<span class="r-msg co"><span class="r-pr">#&gt;</span> Did not find chyaml file ./atrazine.yaml</span>
 <span class="r-plt img"><img src="pai-1.png" alt="" width="700" height="433"></span>
 <span class="r-out co"><span class="r-pr">#&gt;</span> &lt;pai&gt; with ISO common name $iso atrazine </span>
 <span class="r-out co"><span class="r-pr">#&gt;</span> &lt;chent&gt;</span>
diff --git a/docs/reference/plot.chent-1.png b/docs/reference/plot.chent-1.png
index c895eb3..36b02fa 100644
--- a/docs/reference/plot.chent-1.png
+++ b/docs/reference/plot.chent-1.png
diff --git a/docs/reference/plot.chent.html b/docs/reference/plot.chent.html
index 8bbc81c..9ed70e1 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="">0.3.6</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.3.7</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">
@@ -62,7 +62,6 @@
 <span class="r-msg co"><span class="r-pr">#&gt;</span> PubChem:</span>
 <span class="r-msg co"><span class="r-pr">#&gt;</span> Trying to get chemical information from RDKit using PubChem_Canonical SMILES</span>
 <span class="r-msg co"><span class="r-pr">#&gt;</span> CN1C=NC2=C1C(=O)N(C(=O)N2C)C</span>
-<span class="r-msg co"><span class="r-pr">#&gt;</span> Did not find chyaml file ./caffeine.yaml</span>
 <span class="r-in"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">caffeine</span><span class="op">)</span></span></span>
 <span class="r-out co"><span class="r-pr">#&gt;</span> &lt;chent&gt;</span>
 <span class="r-out co"><span class="r-pr">#&gt;</span> Identifier $identifier caffeine </span>
diff --git a/docs/reference/ppp.html b/docs/reference/ppp.html
index 725f550..ef3933d 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="">0.3.6</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.3.7</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">
@@ -72,35 +72,6 @@ product</p>
 Creates a new instance of this <a href="https://r6.r-lib.org/reference/R6Class.html" class="external-link">R6</a> class.</p></dd>
 
 
-<dt><code>...</code></dt>
-<dd><p>Identifiers of the active ingredients</p></dd>
-
-
-<dt><code>concentrations</code></dt>
-<dd><p>Concentrations of the active ingredients</p></dd>
-
-
-<dt><code>concentration_units</code></dt>
-<dd><p>Defaults to g/L</p></dd>
-
-
-<dt><code>density</code></dt>
-<dd><p>The density</p></dd>
-
-
-<dt><code>density_units</code></dt>
-<dd><p>Defaults to g/L
-Printing method</p></dd>
-
-
-</dl><p></p></div>
-    </div>
-    <div class="section level2">
-    <h2 id="active-bindings">Active bindings<a class="anchor" aria-label="anchor" href="#active-bindings"></a></h2>
-    <p></p><div class="r6-active-bindings"><dl><dt><code>...</code></dt>
-<dd><p>Identifiers of the active ingredients</p></dd>
-
-
 </dl><p></p></div>
     </div>
     <div class="section level2">
@@ -110,7 +81,6 @@ Printing method</p></dd>
 <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$new()</code></a></p></li>
-<li><p><a href="#method-ppp-print"><code>ppp$print()</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>
@@ -127,25 +97,44 @@ Printing method</p></dd>
 <span><span class="op">)</span></span></code></pre></div><p></p></div>
 </div>
 
+<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>
 
-</div><p></p><hr><a id="method-ppp-print"></a><div class="section">
-<h3 id="method-print-">Method <code><a href="https://rdrr.io/r/base/print.html" class="external-link">print()</a></code><a class="anchor" aria-label="anchor" href="#method-print-"></a></h3>
 
-<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">print</span><span class="op">(</span><span class="op">)</span></span></code></pre></div><p></p></div>
-</div>
+<dt><code>...</code></dt>
+<dd><p>Identifiers of the active ingredients</p></dd>
+
+
+<dt><code>concentrations</code></dt>
+<dd><p>Concentrations of the active ingredients</p></dd>
+
+
+<dt><code>concentration_units</code></dt>
+<dd><p>Defaults to g/L</p></dd>
 
 
+<dt><code>density</code></dt>
+<dd><p>The density</p></dd>
+
+
+<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>
 <p>The objects of this class are cloneable with this method.</p><div class="section">
-<h4 id="usage-2">Usage<a class="anchor" aria-label="anchor" href="#usage-2"></a></h4>
+<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">
-<h4 id="arguments">Arguments<a class="anchor" aria-label="anchor" href="#arguments"></a></h4>
+<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>
 
diff --git a/docs/reference/print.chent.html b/docs/reference/print.chent.html
index 8747604..9ae6ff4 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="">0.3.6</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.3.7</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/print.pai.html b/docs/reference/print.pai.html
index 78a2a0b..283bf76 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="">0.3.6</small>
+    <small class="nav-text text-muted me-auto" data-bs-toggle="tooltip" data-bs-placement="bottom" title="">0.3.7</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/print.ppp.html b/docs/reference/print.ppp.html
new file mode 100644
index 0000000..a15f8cb
--- /dev/null
+++ b/docs/reference/print.ppp.html
@@ -0,0 +1,78 @@
+<!DOCTYPE html>
+<!-- Generated by pkgdown: do not edit by hand --><html lang="en"><head><meta http-equiv="Content-Type" content="text/html; charset=UTF-8"><meta charset="utf-8"><meta http-equiv="X-UA-Compatible" content="IE=edge"><meta name="viewport" content="width=device-width, initial-scale=1, shrink-to-fit=no"><title>Printing method for ppp objects (plant protection products) — print.ppp • chents</title><script src="../deps/jquery-3.6.0/jquery-3.6.0.min.js"></script><meta name="viewport" content="width=device-width, initial-scale=1, shrink-to-fit=no"><link href="../deps/bootstrap-5.3.1/bootstrap.min.css" rel="stylesheet"><script src="../deps/bootstrap-5.3.1/bootstrap.bundle.min.js"></script><link href="../deps/font-awesome-6.4.2/css/all.min.css" rel="stylesheet"><link href="../deps/font-awesome-6.4.2/css/v4-shims.min.css" rel="stylesheet"><script src="../deps/headroom-0.11.0/headroom.min.js"></script><script src="../deps/headroom-0.11.0/jQuery.headroom.min.js"></script><script src="../deps/bootstrap-toc-1.0.1/bootstrap-toc.min.js"></script><script src="../deps/clipboard.js-2.0.11/clipboard.min.js"></script><script src="../deps/search-1.0.0/autocomplete.jquery.min.js"></script><script src="../deps/search-1.0.0/fuse.min.js"></script><script src="../deps/search-1.0.0/mark.min.js"></script><!-- pkgdown --><script src="../pkgdown.js"></script><meta property="og:title" content="Printing method for ppp objects (plant protection products) — print.ppp"><meta name="description" content="Printing method for ppp objects (plant protection products)"><meta property="og:description" content="Printing method for ppp objects (plant protection products)"></head><body>
+    <a href="#main" class="visually-hidden-focusable">Skip to contents</a>
+
+
+    <nav class="navbar navbar-expand-lg fixed-top bg-light" data-bs-theme="light" aria-label="Site navigation"><div class="container">
+
+    <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="">0.3.7</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">
+      <span class="navbar-toggler-icon"></span>
+    </button>
+
+    <div id="navbar" class="collapse navbar-collapse ms-3">
+      <ul class="navbar-nav me-auto"><li class="active nav-item"><a class="nav-link" href="../reference/index.html">Reference</a></li>
+<li class="nav-item"><a class="nav-link" href="../news/index.html">Changelog</a></li>
+      </ul><ul class="navbar-nav"><li class="nav-item"><form class="form-inline" role="search">
+ <input class="form-control" type="search" name="search-input" id="search-input" autocomplete="off" aria-label="Search site" placeholder="Search for" data-search-index="../search.json"></form></li>
+<li class="nav-item"><a class="external-link nav-link" href="https://github.com/jranke/chents/" aria-label="GitHub"><span class="fa fab fa-github fa-lg"></span></a></li>
+      </ul></div>
+
+
+  </div>
+</nav><div class="container template-reference-topic">
+<div class="row">
+  <main id="main" class="col-md-9"><div class="page-header">
+
+      <h1>Printing method for ppp objects (plant protection products)</h1>
+      <small class="dont-index">Source: <a href="https://github.com/jranke/chents/blob/HEAD/R/chent.R" class="external-link"><code>R/chent.R</code></a></small>
+      <div class="d-none name"><code>print.ppp.Rd</code></div>
+    </div>
+
+    <div class="ref-description section level2">
+    <p>Printing method for ppp objects (plant protection products)</p>
+    </div>
+
+    <div class="section level2">
+    <h2 id="ref-usage">Usage<a class="anchor" aria-label="anchor" href="#ref-usage"></a></h2>
+    <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="co"># S3 method for class 'ppp'</span></span>
+<span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">x</span>, <span class="va">...</span><span class="op">)</span></span></code></pre></div>
+    </div>
+
+    <div class="section level2">
+    <h2 id="arguments">Arguments<a class="anchor" aria-label="anchor" href="#arguments"></a></h2>
+
+
+<dl><dt id="arg-x">x<a class="anchor" aria-label="anchor" href="#arg-x"></a></dt>
+<dd><p>The chent object to be printed</p></dd>
+
+
+<dt id="arg--">...<a class="anchor" aria-label="anchor" href="#arg--"></a></dt>
+<dd><p>Further arguments for compatibility with the S3 method</p></dd>
+
+</dl></div>
+
+  </main><aside class="col-md-3"><nav id="toc" aria-label="Table of contents"><h2>On this page</h2>
+    </nav></aside></div>
+
+
+    <footer><div class="pkgdown-footer-left">
+  <p>Developed by Johannes Ranke.</p>
+</div>
+
+<div class="pkgdown-footer-right">
+  <p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.1.0.</p>
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