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    <h1>Plot method for chent objects</h1>
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    <p>Plot method for chent objects</p>
    

    <pre class="usage"><span class='co'># S3 method for chent</span>
<span class='fu'>plot</span>(<span class='no'>x</span>, <span class='no'>...</span>)</pre>
    
    <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
    <table class="ref-arguments">
    <colgroup><col class="name" /><col class="desc" /></colgroup>
    <tr>
      <th>x</th>
      <td><p>The chent object to be plotted</p></td>
    </tr>
    <tr>
      <th>...</th>
      <td><p>Further arguments passed to <code>grid.picture</code></p></td>
    </tr>
    </table>
    

    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
    <pre class="examples"><div class='input'><span class='no'>caffeine</span> <span class='kw'>&lt;-</span> <span class='no'>chent</span>$<span class='fu'>new</span>(<span class='st'>"caffeine"</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/name/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'>CN1C=NC2=C1C(=O)N(C(=O)N2C)C</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./caffeine.yaml</span></div><div class='input'><span class='fu'>print</span>(<span class='no'>caffeine</span>)</div><div class='output co'>#&gt; &lt;chent&gt;
#&gt; Identifier $identifier caffeine 
#&gt; InChI Key $inchikey RYYVLZVUVIJVGH-UHFFFAOYSA-N 
#&gt; SMILES string $smiles:
#&gt;              PubChem_Canonical 
#&gt; "CN1C=NC2=C1C(=O)N(C(=O)N2C)C" 
#&gt; Molecular weight $mw: 194.2 
#&gt; PubChem synonyms (up to 10):
#&gt;  [1] "2519"                    "caffeine"               
#&gt;  [3] "1,3,7-Trimethylxanthine" "58-08-2"                
#&gt;  [5] "Guaranine"               "Thein"                  
#&gt;  [7] "Cafeina"                 "Methyltheobromine"      
#&gt;  [9] "Koffein"                 "Mateina"                </div><div class='input'><span class='fu'>plot</span>(<span class='no'>caffeine</span>)</div><div class='img'><img src='plot.chent-1.png' alt='' width='700' height='432.632880098887' /></div></pre>
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    <h2>Contents</h2>
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      <li><a href="#arguments">Arguments</a></li>
            
      <li><a href="#examples">Examples</a></li>
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