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3 <title>MayaChemTools:Documentation:MolecularDescriptors::Fsp3CarbonsDescriptors.pm</title>
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13 <div class="DocNav">
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14 <table width="100%" border=0 cellpadding=0 cellspacing=2>
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15 <tr align="left" valign="top"><td width="33%" align="left"><a href="./AtomsCountDescriptors.html" title="AtomsCountDescriptors.html">Previous</a> <a href="./index.html" title="Table of Contents">TOC</a> <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> | <a href="./../pdf/Fsp3CarbonsDescriptors.pdf" title="PDF US Letter Size">PDF</a> | <a href="./../pdfgreen/Fsp3CarbonsDescriptors.pdf" title="PDF US Letter Size with narrow margins: www.changethemargins.com">PDFGreen</a> | <a href="./../pdfa4/Fsp3CarbonsDescriptors.pdf" title="PDF A4 Size">PDFA4</a> | <a href="./../pdfa4green/Fsp3CarbonsDescriptors.pdf" title="PDF A4 Size with narrow margins: www.changethemargins.com">PDFA4Green</a></td></tr>
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16 </table>
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17 </div>
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18 <p>
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19 </p>
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20 <h2>NAME</h2>
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21 <p>Fsp3CarbonsDescriptors</p>
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22 <p>
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23 </p>
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24 <h2>SYNOPSIS</h2>
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25 <p>use MolecularDescriptors::Fsp3CarbonsDescriptors;</p>
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26 <p>use MolecularDescriptors::Fsp3CarbonsDescriptors qw(:all);</p>
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27 <p>
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28 </p>
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29 <h2>DESCRIPTION</h2>
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30 <p><strong>Fsp3CarbonsDescriptors</strong> class provides the following methods:</p>
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31 <p> <a href="#new">new</a>, <a href="#generatedescriptors">GenerateDescriptors</a>, <a href="#getdescriptornames">GetDescriptorNames</a>, <a href="#stringifyfsp3carbonsdescriptors">StringifyFsp3CarbonsDescriptors</a>
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32 </p><p><strong>Fsp3CarbonsDescriptors</strong> is derived from <strong>MolecularDescriptors</strong> class which in turn
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33 is derived from <strong>ObjectProperty</strong> base class that provides methods not explicitly defined
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34 in <strong>Fsp3CarbonsDescriptors</strong>, <strong>MolecularDescriptors</strong> or <strong>ObjectProperty</strong> classes using Perl's
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35 AUTOLOAD functionality. These methods are generated on-the-fly for a specified object property:</p>
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36 <div class="OptionsBox">
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37 Set<PropertyName>(<PropertyValue>);
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38 <br/> $PropertyValue = Get<PropertyName>();
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39 <br/> Delete<PropertyName>();</div>
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40 <p>Fraction sp3 carbons (Fsp3Carbons) [ Ref 115-116, Ref 119 ] value is calculated by dividing the number of sp3
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41 carbons (Sp3Carbons) with the total number of carbons in a molecule.</p>
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42 <p>
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43 </p>
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44 <h2>METHODS</h2>
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45 <dl>
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46 <dt><strong><a name="new" class="item"><strong>new</strong></a></strong></dt>
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47 <dd>
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48 <div class="OptionsBox">
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49 $NewFsp3CarbonsDescriptors = new MolecularDescriptors::
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50 Fsp3CarbonsDescriptors(%NamesAndValues);</div>
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51 <p>Using specified <em>Fsp3CarbonsDescriptors</em> property names and values hash, <strong>new</strong>
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52 method creates a new object and returns a reference to newly created <strong>Fsp3CarbonsDescriptors</strong>
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53 object. By default, the following properties are initialized:</p>
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54 <div class="OptionsBox">
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55 Molecule = ''
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56 <br/> Type = 'Fsp3Carbons'
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57 <br/> @DescriptorNames = ('Fsp3Carbons', 'Sp3Carbons')
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58 <br/> @DescriptorValues = ('None', 'None')</div>
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59 <p>Examples:</p>
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60 <div class="OptionsBox">
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61 $Fsp3CarbonsDescriptors = new MolecularDescriptors::Fsp3CarbonsDescriptors(
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62 'Molecule' => $Molecule);</div>
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63 <div class="OptionsBox">
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64 $Fsp3CarbonsDescriptors = new MolecularDescriptors::Fsp3CarbonsDescriptors();</div>
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65 <div class="OptionsBox">
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66 $Fsp3CarbonsDescriptors->SetMolecule($Molecule);
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67 <br/> $Fsp3CarbonsDescriptors->GenerateDescriptors();
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68 <br/> print "Fsp3CarbonsDescriptors: $Fsp3CarbonsDescriptors\n";</div>
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69 </dd>
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70 <dt><strong><a name="generatedescriptors" class="item"><strong>GenerateDescriptors</strong></a></strong></dt>
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71 <dd>
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72 <div class="OptionsBox">
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73 $Fsp3CarbonsDescriptors->GenerateDescriptors();</div>
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74 <p>Calculates Fsp3Carbons and Sp3Carbons values for a molecule and returns <em>Fsp3CarbonsDescriptors</em>.</p>
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75 </dd>
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76 <dt><strong><a name="getdescriptornames" class="item"><strong>GetDescriptorNames</strong></a></strong></dt>
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77 <dd>
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78 <div class="OptionsBox">
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79 @DescriptorNames = $Fsp3CarbonsDescriptors->GetDescriptorNames();
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80 <br/> @DescriptorNames = MolecularDescriptors::Fsp3CarbonsDescriptors::
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81 GetDescriptorNames();</div>
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82 <p>Returns all available descriptor names as an array.</p>
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83 </dd>
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84 <dt><strong><a name="stringifyfsp3carbonsdescriptors" class="item"><strong>StringifyFsp3CarbonsDescriptors</strong></a></strong></dt>
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85 <dd>
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86 <div class="OptionsBox">
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87 $String = $Fsp3CarbonsDescriptors->StringifyFsp3CarbonsDescriptors();</div>
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88 <p>Returns a string containing information about <em>Fsp3CarbonsDescriptors</em> object.</p>
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89 </dd>
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90 </dl>
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91 <p>
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92 </p>
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93 <h2>AUTHOR</h2>
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94 <p><a href="mailto:msud@san.rr.com">Manish Sud</a></p>
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95 <p>
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96 </p>
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97 <h2>SEE ALSO</h2>
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98 <p><a href="./MolecularDescriptors.html">MolecularDescriptors.pm</a>, <a href="./MolecularDescriptorsGenerator.html">MolecularDescriptorsGenerator.pm</a>
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99 </p>
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100 <p>
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101 </p>
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102 <h2>COPYRIGHT</h2>
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103 <p>Copyright (C) 2015 Manish Sud. All rights reserved.</p>
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104 <p>This file is part of MayaChemTools.</p>
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105 <p>MayaChemTools is free software; you can redistribute it and/or modify it under
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106 the terms of the GNU Lesser General Public License as published by the Free
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107 Software Foundation; either version 3 of the License, or (at your option)
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108 any later version.</p>
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109 <p> </p><p> </p><div class="DocNav">
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110 <table width="100%" border=0 cellpadding=0 cellspacing=2>
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111 <tr align="left" valign="top"><td width="33%" align="left"><a href="./AtomsCountDescriptors.html" title="AtomsCountDescriptors.html">Previous</a> <a href="./index.html" title="Table of Contents">TOC</a> <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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112 </table>
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