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authorJohannes Ranke <jranke@uni-bremen.de>2017-03-06 14:52:04 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2017-03-06 14:52:04 +0100
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treee08b632e3db29ebda4faaec87cd938bb353b52cd /docs/reference/plot.chent.html
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+ <h1>Plot method for chent objects</h1>
+ </div>
+
+
+ <p>Plot method for chent objects</p>
+
+
+ <pre><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>
+ <dl class="dl-horizontal">
+ <dt>x</dt>
+ <dd>The chent object to be plotted</dd>
+ <dt>...</dt>
+ <dd>Further arguments passed to <code>grid.picture</code></dd>
+ </dl>
+
+
+ <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; &quot;CN1C=NC2=C1C(=O)N(C(=O)N2C)C&quot;
+#&gt; Molecular weight $mw: 194.2
+#&gt; PubChem synonyms (up to 10):
+#&gt; [1] &quot;2519&quot; &quot;caffeine&quot;
+#&gt; [3] &quot;Guaranine&quot; &quot;1,3,7-Trimethylxanthine&quot;
+#&gt; [5] &quot;Methyltheobromine&quot; &quot;Cafeina&quot;
+#&gt; [7] &quot;Thein&quot; &quot;Koffein&quot;
+#&gt; [9] &quot;Mateina&quot; &quot;Theine&quot; </div><div class='input'><span class='fu'>plot</span>(<span class='no'>caffeine</span>)</div><img src='plot.chent-11.png' alt='' width='540' height='400' /></pre>
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+ <h2>Contents</h2>
+ <ul class="nav nav-pills nav-stacked">
+ <li><a href="#arguments">Arguments</a></li>
+
+ <li><a href="#examples">Examples</a></li>
+ </ul>
+
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