Mercurial > repos > deepakjadmin > mayatool3_test3

<html>
<head>
<title>MayaChemTools:Documentation:MolecularFormula.pm</title>
<meta http-equiv="content-type" content="text/html;charset=utf-8">
<link rel="stylesheet" type="text/css" href="../../css/MayaChemTools.css">
</head>
<body leftmargin="20" rightmargin="20" topmargin="10" bottommargin="10">
<br/>
<center>
<a href="http://www.mayachemtools.org" title="MayaChemTools Home"><img src="../../images/MayaChemToolsLogo.gif" border="0" alt="MayaChemTools"></a>
</center>
<br/>
<div class="DocNav">
<table width="100%" border=0 cellpadding=0 cellspacing=2>
<tr align="left" valign="top"><td width="33%" align="left"><a href="./WeightAndMassDescriptors.html" title="WeightAndMassDescriptors.html">Previous</a>&nbsp;&nbsp;<a href="./index.html" title="Table of Contents">TOC</a>&nbsp;&nbsp;<a href="./Molecule.html" title="Molecule.html">Next</a></td><td width="34%" align="middle"><strong>MolecularFormula.pm</strong></td><td width="33%" align="right"><a href="././code/MolecularFormula.html" title="View source code">Code</a>&nbsp;|&nbsp;<a href="./../pdf/MolecularFormula.pdf" title="PDF US Letter Size">PDF</a>&nbsp;|&nbsp;<a href="./../pdfgreen/MolecularFormula.pdf" title="PDF US Letter Size with narrow margins: www.changethemargins.com">PDFGreen</a>&nbsp;|&nbsp;<a href="./../pdfa4/MolecularFormula.pdf" title="PDF A4 Size">PDFA4</a>&nbsp;|&nbsp;<a href="./../pdfa4green/MolecularFormula.pdf" title="PDF A4 Size with narrow margins: www.changethemargins.com">PDFA4Green</a></td></tr>
</table>
</div>
<p>
</p>
<h2>NAME</h2>
<p>MolecularFormula</p>
<p>
</p>
<h2>SYNOPSIS</h2>
<p>use MolecularFormula;</p>
<p>use MolecularFormula qw(:all);</p>
<p>
</p>
<h2>DESCRIPTION</h2>
<p><strong>MolecularFormula</strong> module provides the following functions:</p>
<p> <a href="#calculateelementalcomposition">CalculateElementalComposition</a>, <a href="#calculateexactmass">CalculateExactMass</a>, <a href="#calculatemolecularweight">CalculateMolecularWeight</a>
, <a href="#formatcompositioninfomation">FormatCompositionInfomation</a>, <a href="#getelementsandcount">GetElementsAndCount</a>, <a href="#ismolecularformula">IsMolecularFormula</a>
</p><p>
</p>
<h2>FUNCTIONS</h2>
<dl>
<dt><strong><a name="calculatemolecularweight" class="item"><strong>CalculateMolecularWeight</strong></a></strong></dt>
<dd>
<div class="OptionsBox">
    $MolecularWeight = CalculateMolecularWeight($MolecularFormula);</div>
<p>Calculates and returns the molecular weight for a specified <em>MolecularFormula</em>.</p>
</dd>
<dt><strong><a name="calculateelementalcomposition" class="item"><strong>CalculateElementalComposition</strong></a></strong></dt>
<dd>
<div class="OptionsBox">
    ($ElementsRef, $ElementCompositionRef) =
       CalculateElementalComposition($MolecularFormula);</div>
<p>Calculates the percent composition in a specified <em>MolecularFormula</em> and returns references
to arrays containing elements and their percent composition.</p>
</dd>
<dt><strong><a name="calculateexactmass" class="item"><strong>CalculateExactMass</strong></a></strong></dt>
<dd>
<div class="OptionsBox">
    $ExactMass = CalculateMolecularWeight($MolecularFormula);</div>
<p>Calculates and returns the exact mass for a specified <em>MolecularFormula</em>.</p>
</dd>
<dt><strong><a name="formatcompositioninfomation" class="item"><strong>FormatCompositionInfomation</strong></a></strong></dt>
<dd>
<div class="OptionsBox">
    $FormattedString = FormatCompositionInfomation($ElementsRef,
                       $ElementCompositionRef, [$Precision]);</div>
<p>Returns a formatted elemental composition string using references to elements and elemental
composition arrays. Precision is an optional parameter; its default value is <em>2</em>.</p>
</dd>
<dt><strong><a name="getelementsandcount" class="item"><strong>GetElementsAndCount</strong></a></strong></dt>
<dd>
<div class="OptionsBox">
    ($ElementsRef, $ElementCountRef) = GetElementsAndCount(
                                       $MolecularFormula);</div>
<p>Retrieves elements and their count composition in a specified <em>MolecularFormula</em> and
returns references to arrays containing elements and their count.</p>
</dd>
<dt><strong><a name="ismolecularformula" class="item"><strong>IsMolecularFormula</strong></a></strong></dt>
<dd>
<div class="OptionsBox">
    $Status = IsMolecularFormula($MolecularFormula);
<br/>    ($Status, $ErrorMsg) = IsMolecularFormula($MolecularFormula);</div>
<p>Returns 1 or 0 a based on whether it's a valid <em>MolecularFormula</em>.</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="./Molecule.html">Molecule.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>
<p>&nbsp</p><p>&nbsp</p><div class="DocNav">
<table width="100%" border=0 cellpadding=0 cellspacing=2>
<tr align="left" valign="top"><td width="33%" align="left"><a href="./WeightAndMassDescriptors.html" title="WeightAndMassDescriptors.html">Previous</a>&nbsp;&nbsp;<a href="./index.html" title="Table of Contents">TOC</a>&nbsp;&nbsp;<a href="./Molecule.html" title="Molecule.html">Next</a></td><td width="34%" align="middle"><strong>March 29, 2015</strong></td><td width="33%" align="right"><strong>MolecularFormula.pm</strong></td></tr>
</table>
</div>
<br />
<center>
<img src="../../images/h2o2.png">
</center>
</body>
</html>
author	deepakjadmin
date	Thu, 15 Dec 2016 14:18:03 -0500
parents	73ae111cf86f
children