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1 <html>
2 <head>
3 <title>MayaChemTools:Documentation:MolecularDescriptors::Fsp3CarbonsDescriptors.pm</title>
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15 <tr align="left" valign="top"><td width="33%" align="left"><a href="./AtomsCountDescriptors.html" title="AtomsCountDescriptors.html">Previous</a>&nbsp;&nbsp;<a href="./index.html" title="Table of Contents">TOC</a>&nbsp;&nbsp;<a href="./HydrogenBondsDescriptors.html" title="HydrogenBondsDescriptors.html">Next</a></td><td width="34%" align="middle"><strong>MolecularDescriptors::Fsp3CarbonsDescriptors.pm</strong></td><td width="33%" align="right"><a href="././code/Fsp3CarbonsDescriptors.html" title="View source code">Code</a>&nbsp;|&nbsp;<a href="./../pdf/Fsp3CarbonsDescriptors.pdf" title="PDF US Letter Size">PDF</a>&nbsp;|&nbsp;<a href="./../pdfgreen/Fsp3CarbonsDescriptors.pdf" title="PDF US Letter Size with narrow margins: www.changethemargins.com">PDFGreen</a>&nbsp;|&nbsp;<a href="./../pdfa4/Fsp3CarbonsDescriptors.pdf" title="PDF A4 Size">PDFA4</a>&nbsp;|&nbsp;<a href="./../pdfa4green/Fsp3CarbonsDescriptors.pdf" title="PDF A4 Size with narrow margins: www.changethemargins.com">PDFA4Green</a></td></tr>
16 </table>
17 </div>
18 <p>
19 </p>
20 <h2>NAME</h2>
21 <p>Fsp3CarbonsDescriptors</p>
22 <p>
23 </p>
24 <h2>SYNOPSIS</h2>
25 <p>use MolecularDescriptors::Fsp3CarbonsDescriptors;</p>
26 <p>use MolecularDescriptors::Fsp3CarbonsDescriptors qw(:all);</p>
27 <p>
28 </p>
29 <h2>DESCRIPTION</h2>
30 <p><strong>Fsp3CarbonsDescriptors</strong> class provides the following methods:</p>
31 <p> <a href="#new">new</a>, <a href="#generatedescriptors">GenerateDescriptors</a>, <a href="#getdescriptornames">GetDescriptorNames</a>, <a href="#stringifyfsp3carbonsdescriptors">StringifyFsp3CarbonsDescriptors</a>
32 </p><p><strong>Fsp3CarbonsDescriptors</strong> is derived from <strong>MolecularDescriptors</strong> class which in turn
33 is derived from <strong>ObjectProperty</strong> base class that provides methods not explicitly defined
34 in <strong>Fsp3CarbonsDescriptors</strong>, <strong>MolecularDescriptors</strong> or <strong>ObjectProperty</strong> classes using Perl's
35 AUTOLOAD functionality. These methods are generated on-the-fly for a specified object property:</p>
36 <div class="OptionsBox">
37 Set&lt;PropertyName&gt;(&lt;PropertyValue&gt;);
38 <br/> $PropertyValue = Get&lt;PropertyName&gt;();
39 <br/> Delete&lt;PropertyName&gt;();</div>
40 <p>Fraction sp3 carbons (Fsp3Carbons) [ Ref 115-116, Ref 119 ] value is calculated by dividing the number of sp3
41 carbons (Sp3Carbons) with the total number of carbons in a molecule.</p>
42 <p>
43 </p>
44 <h2>METHODS</h2>
45 <dl>
46 <dt><strong><a name="new" class="item"><strong>new</strong></a></strong></dt>
47 <dd>
48 <div class="OptionsBox">
49 $NewFsp3CarbonsDescriptors = new MolecularDescriptors::
50 Fsp3CarbonsDescriptors(%NamesAndValues);</div>
51 <p>Using specified <em>Fsp3CarbonsDescriptors</em> property names and values hash, <strong>new</strong>
52 method creates a new object and returns a reference to newly created <strong>Fsp3CarbonsDescriptors</strong>
53 object. By default, the following properties are initialized:</p>
54 <div class="OptionsBox">
55 Molecule = ''
56 <br/> Type = 'Fsp3Carbons'
57 <br/> @DescriptorNames = ('Fsp3Carbons', 'Sp3Carbons')
58 <br/> @DescriptorValues = ('None', 'None')</div>
59 <p>Examples:</p>
60 <div class="OptionsBox">
61 $Fsp3CarbonsDescriptors = new MolecularDescriptors::Fsp3CarbonsDescriptors(
62 'Molecule' =&gt; $Molecule);</div>
63 <div class="OptionsBox">
64 $Fsp3CarbonsDescriptors = new MolecularDescriptors::Fsp3CarbonsDescriptors();</div>
65 <div class="OptionsBox">
66 $Fsp3CarbonsDescriptors-&gt;SetMolecule($Molecule);
67 <br/> $Fsp3CarbonsDescriptors-&gt;GenerateDescriptors();
68 <br/> print &quot;Fsp3CarbonsDescriptors: $Fsp3CarbonsDescriptors\n&quot;;</div>
69 </dd>
70 <dt><strong><a name="generatedescriptors" class="item"><strong>GenerateDescriptors</strong></a></strong></dt>
71 <dd>
72 <div class="OptionsBox">
73 $Fsp3CarbonsDescriptors-&gt;GenerateDescriptors();</div>
74 <p>Calculates Fsp3Carbons and Sp3Carbons values for a molecule and returns <em>Fsp3CarbonsDescriptors</em>.</p>
75 </dd>
76 <dt><strong><a name="getdescriptornames" class="item"><strong>GetDescriptorNames</strong></a></strong></dt>
77 <dd>
78 <div class="OptionsBox">
79 @DescriptorNames = $Fsp3CarbonsDescriptors-&gt;GetDescriptorNames();
80 <br/> @DescriptorNames = MolecularDescriptors::Fsp3CarbonsDescriptors::
81 GetDescriptorNames();</div>
82 <p>Returns all available descriptor names as an array.</p>
83 </dd>
84 <dt><strong><a name="stringifyfsp3carbonsdescriptors" class="item"><strong>StringifyFsp3CarbonsDescriptors</strong></a></strong></dt>
85 <dd>
86 <div class="OptionsBox">
87 $String = $Fsp3CarbonsDescriptors-&gt;StringifyFsp3CarbonsDescriptors();</div>
88 <p>Returns a string containing information about <em>Fsp3CarbonsDescriptors</em> object.</p>
89 </dd>
90 </dl>
91 <p>
92 </p>
93 <h2>AUTHOR</h2>
94 <p><a href="mailto:msud@san.rr.com">Manish Sud</a></p>
95 <p>
96 </p>
97 <h2>SEE ALSO</h2>
98 <p><a href="./MolecularDescriptors.html">MolecularDescriptors.pm</a>,&nbsp<a href="./MolecularDescriptorsGenerator.html">MolecularDescriptorsGenerator.pm</a>
99 </p>
100 <p>
101 </p>
102 <h2>COPYRIGHT</h2>
103 <p>Copyright (C) 2015 Manish Sud. All rights reserved.</p>
104 <p>This file is part of MayaChemTools.</p>
105 <p>MayaChemTools is free software; you can redistribute it and/or modify it under
106 the terms of the GNU Lesser General Public License as published by the Free
107 Software Foundation; either version 3 of the License, or (at your option)
108 any later version.</p>
109 <p>&nbsp</p><p>&nbsp</p><div class="DocNav">
110 <table width="100%" border=0 cellpadding=0 cellspacing=2>
111 <tr align="left" valign="top"><td width="33%" align="left"><a href="./AtomsCountDescriptors.html" title="AtomsCountDescriptors.html">Previous</a>&nbsp;&nbsp;<a href="./index.html" title="Table of Contents">TOC</a>&nbsp;&nbsp;<a href="./HydrogenBondsDescriptors.html" title="HydrogenBondsDescriptors.html">Next</a></td><td width="34%" align="middle"><strong>March 29, 2015</strong></td><td width="33%" align="right"><strong>MolecularDescriptors::Fsp3CarbonsDescriptors.pm</strong></td></tr>
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