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@@ -1,6 +1,6 @@
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@@ -9,31 +9,38 @@
<title>An R6 class for pesticidal active ingredients and associated data — pai • chents</title>
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<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." />
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@@ -49,13 +56,18 @@ Additional chemical information is retrieved from the internet if available." />
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+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.2.6</span>
+ </span>
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+
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@@ -70,8 +82,14 @@ Additional chemical information is retrieved from the internet if available." />
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+ <a href="https://github.com/jranke/chents">
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@@ -79,16 +97,20 @@ Additional chemical information is retrieved from the internet if available." />
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+<div class="row">
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<div class="page-header">
<h1>An R6 class for pesticidal active ingredients and associated data</h1>
+ <small class="dont-index">Source: <a href='https://github.com/jranke/chents/blob/master/R/chent.R'><code>R/chent.R</code></a></small>
+ <div class="hidden name"><code>pai.Rd</code></div>
</div>
+ <div class="ref-description">
<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>
+ </div>
<pre class="usage"><span class='no'>pai</span></pre>
@@ -107,7 +129,7 @@ Additional chemical information is retrieved from the internet if available.</p>
<h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
<pre class="examples"><div class='input'><span class='no'>atr</span> <span class='kw'>&lt;-</span> <span class='no'>pai</span>$<span class='fu'>new</span>(<span class='st'>"atrazine"</span>)</div><div class='output co'>#&gt; <span class='message'>alanwood.net:</span></div><div class='output co'>#&gt; <span class='message'>Querying atrazine.html</span></div><div class='output co'>#&gt; <span class='message'>PubChem:</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/cids/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight,CanonicalSMILES,IsomericSMILES,InChI,InChIKey,IUPACName,XLogP,TPSA,Complexity,Charge,HBondDonorCount,HBondAcceptorCount/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON</span></div><div class='output co'>#&gt; <span class='message'>Trying to get chemical information from RDKit using PubChem_Canonical SMILES</span>
-#&gt; <span class='message'>CCNC1=NC(=NC(=N1)Cl)NC(C)C</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./atrazine.yaml</span></div><div class='input'><span class='fu'>print</span>(<span class='no'>atr</span>)</div><div class='output co'>#&gt; &lt;pai&gt; with ISO common name $iso atrazine
+#&gt; <span class='message'>CCNC1=NC(=NC(=N1)Cl)NC(C)C</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./atrazine.yaml</span></div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>atr</span>)</div><div class='output co'>#&gt; &lt;pai&gt; with ISO common name $iso atrazine
#&gt; &lt;chent&gt;
#&gt; Identifier $identifier atrazine
#&gt; InChI Key $inchikey MXWJVTOOROXGIU-UHFFFAOYSA-N
@@ -139,11 +161,13 @@ Additional chemical information is retrieved from the internet if available.</p>
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