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<tr align="left" valign="top"><td width="33%" align="left"><a href="./TPSADescriptors.html" title="TPSADescriptors.html">Previous</a>&nbsp;&nbsp;<a href="./index.html" title="Table of Contents">TOC</a>&nbsp;&nbsp;<a href="./MolecularFormula.html" title="MolecularFormula.html">Next</a></td><td width="34%" align="middle"><strong>MolecularDescriptors::WeightAndMassDescriptors.pm</strong></td><td width="33%" align="right"><a href="././code/WeightAndMassDescriptors.html" title="View source code">Code</a>&nbsp;|&nbsp;<a href="./../pdf/WeightAndMassDescriptors.pdf" title="PDF US Letter Size">PDF</a>&nbsp;|&nbsp;<a href="./../pdfgreen/WeightAndMassDescriptors.pdf" title="PDF US Letter Size with narrow margins: www.changethemargins.com">PDFGreen</a>&nbsp;|&nbsp;<a href="./../pdfa4/WeightAndMassDescriptors.pdf" title="PDF A4 Size">PDFA4</a>&nbsp;|&nbsp;<a href="./../pdfa4green/WeightAndMassDescriptors.pdf" title="PDF A4 Size with narrow margins: www.changethemargins.com">PDFA4Green</a></td></tr>
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<h2>NAME</h2>
<p>WeightAndMassDescriptors</p>
<p>
</p>
<h2>SYNOPSIS</h2>
<p>use MolecularDescriptors::WeightAndMassDescriptors;</p>
<p>use MolecularDescriptors::WeightAndMassDescriptors qw(:all);</p>
<p>
</p>
<h2>DESCRIPTION</h2>
<p><strong>WeightAndMassDescriptors</strong> class provides the following methods:</p>
<p> <a href="#new">new</a>, <a href="#generatedescriptors">GenerateDescriptors</a>, <a href="#getdescriptornames">GetDescriptorNames</a>, <a href="#stringifyweightandmassdescriptors">StringifyWeightAndMassDescriptors</a>
</p><p><strong>WeightAndMassDescriptors</strong> is derived from <strong>MolecularDescriptors</strong> class which in turn
is  derived from <strong>ObjectProperty</strong> base class that provides methods not explicitly defined
in <strong>WeightAndMassDescriptors</strong>, <strong>MolecularDescriptors</strong> or <strong>ObjectProperty</strong> classes using Perl's
AUTOLOAD functionality. These methods are generated on-the-fly for a specified object property:</p>
<div class="OptionsBox">
    Set&lt;PropertyName&gt;(&lt;PropertyValue&gt;);
<br/>    $PropertyValue = Get&lt;PropertyName&gt;();
<br/>    Delete&lt;PropertyName&gt;();</div>
<p><strong>WeightAndMassDescriptors</strong> calculates molecular weight and exact mass descriptors using
methods available in <strong>Molecule</strong> class.</p>
<p>
</p>
<h2>METHODS</h2>
<dl>
<dt><strong><a name="new" class="item"><strong>new</strong></a></strong></dt>
<dd>
<div class="OptionsBox">
    $NewWeightAndMassDescriptors = new MolecularDescriptors::
                                   WeightAndMassDescriptors(
                                   %NamesAndValues);</div>
<p>Using specified <em>WeightAndMassDescriptors</em> property names and values hash, <strong>new</strong>
method creates a new object and returns a reference to newly created <strong>WeightAndMassDescriptors</strong>
object. By default, the following properties are initialized:</p>
<div class="OptionsBox">
    Molecule = ''
<br/>    Type = 'WeightAndMass'
<br/>    WeightPrecision = 2;
<br/>    MassPrecision = 4;</div>
<div class="OptionsBox">
    @DescriptorNames = ('MolecularWeight', 'ExactMass')
<br/>    @DescriptorValues = ('None', 'None')</div>
<p>Examples:</p>
<div class="OptionsBox">
    $WeightAndMassDescriptors = new MolecularDescriptors::
                                WeightAndMassDescriptors(
                                'Molecule' =&gt; $Molecule);</div>
<div class="OptionsBox">
    $WeightAndMassDescriptors = new MolecularDescriptors::
                                WeightAndMassDescriptors();</div>
<div class="OptionsBox">
    $WeightAndMassDescriptors-&gt;SetMolecule($Molecule);
<br/>    $WeightAndMassDescriptors-&gt;GenerateDescriptors();
<br/>    print &quot;WeightAndMassDescriptors: $WeightAndMassDescriptors\n&quot;;</div>
</dd>
<dt><strong><a name="generatedescriptors" class="item"><strong>GenerateDescriptors</strong></a></strong></dt>
<dd>
<div class="OptionsBox">
    $WeightAndMassDescriptors-&gt;GenerateDescriptors();</div>
<p>Calculates molecular weight and exact mass of a molecule and returns
<em>WeightAndMassDescriptors</em>.</p>
</dd>
<dt><strong><a name="getdescriptornames" class="item"><strong>GetDescriptorNames</strong></a></strong></dt>
<dd>
<div class="OptionsBox">
    @DescriptorNames = $WeightAndMassDescriptors-&gt;GetDescriptorNames();
<br/>    @DescriptorNames = MolecularDescriptors::WeightAndMassDescriptors::
                       GetDescriptorNames();</div>
<p>Returns all available descriptor names as an array.</p>
</dd>
<dt><strong><a name="setmassprecision" class="item"><strong>SetMassPrecision</strong></a></strong></dt>
<dd>
<div class="OptionsBox">
    $WeightAndMassDescriptors-&gt;SetMassPrecision($Precision);</div>
<p>Sets precision for calculated exact mass value and returns
<em>WeightAndMassDescriptors</em>.</p>
</dd>
<dt><strong><a name="setweightprecision" class="item"><strong>SetWeightPrecision</strong></a></strong></dt>
<dd>
<div class="OptionsBox">
    $WeightAndMassDescriptors-&gt;SetWeightPrecision($Precision);</div>
<p>Sets precision for calculated molecular weight value and returns
<em>WeightAndMassDescriptors</em>.</p>
</dd>
<dt><strong><a name="stringifyweightandmassdescriptors" class="item"><strong>StringifyWeightAndMassDescriptors</strong></a></strong></dt>
<dd>
<div class="OptionsBox">
    $String = $WeightAndMassDescriptors-&gt;StringifyWeightAndMassDescriptors();</div>
<p>Returns a string containing information about <em>WeightAndMassDescriptors</em> object.</p>
</dd>
</dl>
<p>
</p>
<h2>AUTHOR</h2>
<p><a href="mailto:msud@san.rr.com">Manish Sud</a></p>
<p>
</p>
<h2>SEE ALSO</h2>
<p><a href="./MolecularDescriptors.html">MolecularDescriptors.pm</a>,&nbsp<a href="./MolecularDescriptorsGenerator.html">MolecularDescriptorsGenerator.pm</a>
</p>
<p>
</p>
<h2>COPYRIGHT</h2>
<p>Copyright (C) 2015 Manish Sud. All rights reserved.</p>
<p>This file is part of MayaChemTools.</p>
<p>MayaChemTools is free software; you can redistribute it and/or modify it under
the terms of the GNU Lesser General Public License as published by the Free
Software Foundation; either version 3 of the License, or (at your option)
any later version.</p>
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<tr align="left" valign="top"><td width="33%" align="left"><a href="./TPSADescriptors.html" title="TPSADescriptors.html">Previous</a>&nbsp;&nbsp;<a href="./index.html" title="Table of Contents">TOC</a>&nbsp;&nbsp;<a href="./MolecularFormula.html" title="MolecularFormula.html">Next</a></td><td width="34%" align="middle"><strong>March 29, 2015</strong></td><td width="33%" align="right"><strong>MolecularDescriptors::WeightAndMassDescriptors.pm</strong></td></tr>
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