summaryrefslogblamecommitdiff
path: root/inst/web/plot.chent.html
blob: beba724eee23cae20c79bd0673172ec3a58f70b1 (plain) (tree)















































































































                                                                                                                                                                    
<!DOCTYPE html>
<html lang="en">
  <head>
    <meta charset="utf-8">
<title>plot.chent. chents 0.2-1</title>
<meta name="viewport" content="width=device-width, initial-scale=1.0">
<meta name="author" content="">

<link href="css/bootstrap.css" rel="stylesheet">
<link href="css/bootstrap-responsive.css" rel="stylesheet">
<link href="css/highlight.css" rel="stylesheet">
<link href="css/staticdocs.css" rel="stylesheet">

<!--[if lt IE 9]>
  <script src="http://html5shim.googlecode.com/svn/trunk/html5.js"></script>
<![endif]-->

<script type="text/x-mathjax-config">
  MathJax.Hub.Config({
    tex2jax: {
      inlineMath: [ ['$','$'], ["\\(","\\)"] ],
      processEscapes: true
    }
  });
</script>
<script type="text/javascript"
  src="http://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML">
</script>
  </head>

  <body>
    <div class="navbar">
  <div class="navbar-inner">
    <div class="container">
      <a class="brand" href="#">chents 0.2-1</a>
      <div class="nav">
        <ul class="nav">
          <li><a href="index.html"><i class="icon-home icon-white"></i> Index</a></li>
        </ul>
      </div>
    </div>
  </div>
</div>

    <div class="container">
      <header>
        
      </header>
      
      <h1>Plot method for chent objects</h1>

<div class="row">
  <div class="span8">
    <h2>Usage</h2>
    <pre><div>"plot"(x, ...)</div></pre>
    
    <h2>Arguments</h2>
    <dl>
      <dt>x</dt>
      <dd>The chent object to be plotted</dd>
      <dt>...</dt>
      <dd>Further arguments passed to <code><a href='http://www.inside-r.org/packages/cran/grImport/docs/grid.picture'>grid.picture</a></code></dd>
    </dl>
    
    <div class="Description">
      <h2>Description</h2>

      <p>Plot method for chent objects</p>
  
    </div>
    
    <h2 id="examples">Examples</h2>
    <pre class="examples"><div class='input'>caffeine &lt;- chent$new(&quot;caffeine&quot;, source = &quot;pubchem&quot;)
</div>
<strong class='message'>http://eutils.ncbi.nlm.nih.gov/entrez/eutils/esearch.fcgi?retmax=100000&amp;db=pccompound&amp;term=caffeine</strong>
<strong class='message'>Found 217 entries in PubChem, using the first one.</strong>
<strong class='message'>http://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?retmax=100000&amp;db=pccompound&amp;ID=1188</strong>
<div class='input'>print(caffeine)
</div>
<div class='output'>&lt;chent&gt;
Identifier $identifier caffeine 
InChI Key $inchikey LRFVTYWOQMYALW-UHFFFAOYSA-N 
SMILES string $smiles C1=NC2=C(N1)C(=O)NC(=O)N2 
Molecular weight $mw: 152.1 
PubChem synonyms (first 10):
 [1] &quot;xanthine&quot;            &quot;2,6-Dihydroxypurine&quot; &quot;69-89-6&quot;             &quot;Xanthin&quot;             &quot;2,6-dioxopurine&quot;    
 [6] &quot;Pseudoxanthine&quot;      &quot;Isoxanthine&quot;         &quot;Xanthic oxide&quot;       &quot;1H-Purine-2,6-diol&quot;  &quot;Purine-2,6-diol&quot;    
</div>
<div class='input'>caffeine$get_rdkit()
plot(caffeine)
</div>
<p><img src='plot.chent-8.png' alt='' width='540' height='400' /></p></pre>
  </div>
  <div class="span4">
    <!-- <ul>
      <li>plot.chent</li>
    </ul>
    <ul>
      
    </ul> -->
      
        
  </div>
</div>
      
      <footer>
      <p class="pull-right"><a href="#">Back to top</a></p>
<p>Built by <a href="https://github.com/hadley/staticdocs">staticdocs</a>. Styled with <a href="http://twitter.github.com/bootstrap">bootstrap</a>.</p>
      </footer>
    </div>
  </body>
</html>

Contact - Imprint