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| author | deepakjadmin |
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| date | Wed, 20 Jan 2016 11:55:01 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/mayachemtools/docs/modules/html/MolecularFormula.html Wed Jan 20 11:55:01 2016 -0500 @@ -0,0 +1,109 @@ +<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> <a href="./index.html" title="Table of Contents">TOC</a> <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> | <a href="./../pdf/MolecularFormula.pdf" title="PDF US Letter Size">PDF</a> | <a href="./../pdfgreen/MolecularFormula.pdf" title="PDF US Letter Size with narrow margins: www.changethemargins.com">PDFGreen</a> | <a href="./../pdfa4/MolecularFormula.pdf" title="PDF A4 Size">PDFA4</a> | <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> </p><p> </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> <a href="./index.html" title="Table of Contents">TOC</a> <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>