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Diffstat (limited to 'rdoc/classes/OpenTox/Compound.html')
| -rw-r--r-- | rdoc/classes/OpenTox/Compound.html | 247 |
1 files changed, 0 insertions, 247 deletions
diff --git a/rdoc/classes/OpenTox/Compound.html b/rdoc/classes/OpenTox/Compound.html deleted file mode 100644 index c892d0e..0000000 --- a/rdoc/classes/OpenTox/Compound.html +++ /dev/null @@ -1,247 +0,0 @@ -<?xml version="1.0" encoding="iso-8859-1"?> -<!DOCTYPE html - PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" - "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd"> - -<html xmlns="http://www.w3.org/1999/xhtml" xml:lang="en" lang="en"> -<head> - <title>Class: OpenTox::Compound</title> - <meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1" /> - <meta http-equiv="Content-Script-Type" content="text/javascript" /> - <link rel="stylesheet" href="../.././rdoc-style.css" type="text/css" media="screen" /> - <script type="text/javascript"> - // <![CDATA[ - - function popupCode( url ) { - window.open(url, "Code", "resizable=yes,scrollbars=yes,toolbar=no,status=no,height=150,width=400") - } - - function toggleCode( id ) { - if ( document.getElementById ) - elem = document.getElementById( id ); - else if ( document.all ) - elem = eval( "document.all." + id ); - else - return false; - - elemStyle = elem.style; - - if ( elemStyle.display != "block" ) { - elemStyle.display = "block" - } else { - elemStyle.display = "none" - } - - return true; - } - - // Make codeblocks hidden by default - document.writeln( "<style type=\"text/css\">div.method-source-code { display: none }</style>" ) - - // ]]> - </script> - -</head> -<body> - - - - <div id="classHeader"> - <table class="header-table"> - <tr class="top-aligned-row"> - <td><strong>Class</strong></td> - <td class="class-name-in-header">OpenTox::Compound</td> - </tr> - <tr class="top-aligned-row"> - <td><strong>In:</strong></td> - <td> - <a href="../../files/lib/opentox-ruby-api-wrapper_rb.html"> - lib/opentox-ruby-api-wrapper.rb - </a> - <br /> - </td> - </tr> - - <tr class="top-aligned-row"> - <td><strong>Parent:</strong></td> - <td> - <a href="OpenTox.html"> - OpenTox - </a> - </td> - </tr> - </table> - </div> - <!-- banner header --> - - <div id="bodyContent"> - - - - <div id="contextContent"> - - - - </div> - - <div id="method-list"> - <h3 class="section-bar">Methods</h3> - - <div class="name-list"> - <a href="#M000004">match</a> - <a href="#M000003">match?</a> - <a href="#M000001">new</a> - <a href="#M000002">smiles</a> - </div> - </div> - - </div> - - - <!-- if includes --> - - <div id="section"> - - - - - - - - - <!-- if method_list --> - <div id="methods"> - <h3 class="section-bar">Public Class methods</h3> - - <div id="method-M000001" class="method-detail"> - <a name="M000001"></a> - - <div class="method-heading"> - <a href="#M000001" class="method-signature"> - <span class="method-name">new</span><span class="method-args">(params)</span> - </a> - </div> - - <div class="method-description"> - <p> -Initialize with <tt>:uri => uri</tt>, <tt>:<a -href="Compound.html#M000002">smiles</a> => <a -href="Compound.html#M000002">smiles</a></tt> or <tt>:name => name</tt> -(name can be also an InChI/InChiKey, CAS number, etc) -</p> - <p><a class="source-toggle" href="#" - onclick="toggleCode('M000001-source');return false;">[Source]</a></p> - <div class="method-source-code" id="M000001-source"> -<pre> -<span class="ruby-comment cmt"># File lib/opentox-ruby-api-wrapper.rb, line 18</span> - <span class="ruby-keyword kw">def</span> <span class="ruby-identifier">initialize</span>(<span class="ruby-identifier">params</span>) - <span class="ruby-keyword kw">if</span> <span class="ruby-identifier">params</span>[<span class="ruby-identifier">:uri</span>] - <span class="ruby-ivar">@uri</span> = <span class="ruby-identifier">params</span>[<span class="ruby-identifier">:uri</span>].<span class="ruby-identifier">to_s</span> - <span class="ruby-keyword kw">elsif</span> <span class="ruby-identifier">params</span>[<span class="ruby-identifier">:smiles</span>] - <span class="ruby-ivar">@uri</span> = <span class="ruby-constant">RestClient</span>.<span class="ruby-identifier">post</span> <span class="ruby-constant">ENV</span>[<span class="ruby-value str">'OPENTOX_COMPOUNDS'</span>] ,<span class="ruby-identifier">:smiles</span> =<span class="ruby-operator">></span> <span class="ruby-identifier">uri_escape</span>(<span class="ruby-identifier">params</span>[<span class="ruby-identifier">:smiles</span>]) - <span class="ruby-keyword kw">elsif</span> <span class="ruby-identifier">params</span>[<span class="ruby-identifier">:name</span>] - <span class="ruby-ivar">@uri</span> = <span class="ruby-constant">RestClient</span>.<span class="ruby-identifier">post</span> <span class="ruby-constant">ENV</span>[<span class="ruby-value str">'OPENTOX_COMPOUNDS'</span>] ,<span class="ruby-identifier">:name</span> =<span class="ruby-operator">></span> <span class="ruby-identifier">uri_escape</span>(<span class="ruby-identifier">params</span>[<span class="ruby-identifier">:name</span>]) - <span class="ruby-keyword kw">end</span> - <span class="ruby-keyword kw">end</span> -</pre> - </div> - </div> - </div> - - <h3 class="section-bar">Public Instance methods</h3> - - <div id="method-M000004" class="method-detail"> - <a name="M000004"></a> - - <div class="method-heading"> - <a href="#M000004" class="method-signature"> - <span class="method-name">match</span><span class="method-args">(smarts_features)</span> - </a> - </div> - - <div class="method-description"> - <p> -Match an array of smarts features, returns matching features -</p> - <p><a class="source-toggle" href="#" - onclick="toggleCode('M000004-source');return false;">[Source]</a></p> - <div class="method-source-code" id="M000004-source"> -<pre> -<span class="ruby-comment cmt"># File lib/opentox-ruby-api-wrapper.rb, line 43</span> - <span class="ruby-keyword kw">def</span> <span class="ruby-identifier">match</span>(<span class="ruby-identifier">smarts_features</span>) - <span class="ruby-identifier">smarts_features</span>.<span class="ruby-identifier">collect</span>{ <span class="ruby-operator">|</span><span class="ruby-identifier">smarts</span><span class="ruby-operator">|</span> <span class="ruby-identifier">smarts</span> <span class="ruby-keyword kw">if</span> <span class="ruby-keyword kw">self</span>.<span class="ruby-identifier">match?</span>(<span class="ruby-identifier">smarts</span>.<span class="ruby-identifier">name</span>) }.<span class="ruby-identifier">compact</span> - <span class="ruby-keyword kw">end</span> -</pre> - </div> - </div> - </div> - - <div id="method-M000003" class="method-detail"> - <a name="M000003"></a> - - <div class="method-heading"> - <a href="#M000003" class="method-signature"> - <span class="method-name">match?</span><span class="method-args">(smarts)</span> - </a> - </div> - - <div class="method-description"> - <p> -Matchs a smarts string -</p> - <p><a class="source-toggle" href="#" - onclick="toggleCode('M000003-source');return false;">[Source]</a></p> - <div class="method-source-code" id="M000003-source"> -<pre> -<span class="ruby-comment cmt"># File lib/opentox-ruby-api-wrapper.rb, line 34</span> - <span class="ruby-keyword kw">def</span> <span class="ruby-identifier">match?</span>(<span class="ruby-identifier">smarts</span>) - <span class="ruby-keyword kw">if</span> <span class="ruby-constant">RestClient</span>.<span class="ruby-identifier">get</span>(<span class="ruby-ivar">@uri</span> <span class="ruby-operator">+</span> <span class="ruby-value str">'/match/'</span> <span class="ruby-operator">+</span> <span class="ruby-identifier">uri_escape</span>(<span class="ruby-identifier">smarts</span>)) <span class="ruby-operator">==</span> <span class="ruby-value str">'true'</span> - <span class="ruby-keyword kw">true</span> - <span class="ruby-keyword kw">else</span> - <span class="ruby-keyword kw">false</span> - <span class="ruby-keyword kw">end</span> - <span class="ruby-keyword kw">end</span> -</pre> - </div> - </div> - </div> - - <div id="method-M000002" class="method-detail"> - <a name="M000002"></a> - - <div class="method-heading"> - <a href="#M000002" class="method-signature"> - <span class="method-name">smiles</span><span class="method-args">()</span> - </a> - </div> - - <div class="method-description"> - <p> -Get the (canonical) <a href="Compound.html#M000002">smiles</a> -</p> - <p><a class="source-toggle" href="#" - onclick="toggleCode('M000002-source');return false;">[Source]</a></p> - <div class="method-source-code" id="M000002-source"> -<pre> -<span class="ruby-comment cmt"># File lib/opentox-ruby-api-wrapper.rb, line 29</span> - <span class="ruby-keyword kw">def</span> <span class="ruby-identifier">smiles</span> - <span class="ruby-constant">RestClient</span>.<span class="ruby-identifier">get</span> <span class="ruby-ivar">@uri</span> - <span class="ruby-keyword kw">end</span> -</pre> - </div> - </div> - </div> - - - </div> - - - </div> - - -<div id="validator-badges"> - <p><small><a href="http://validator.w3.org/check/referer">[Validate]</a></small></p> -</div> - -</body> -</html>
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