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| author | deepakjadmin |
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| date | Wed, 20 Jan 2016 11:55:01 -0500 |
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| 1 <html> | |
| 2 <head> | |
| 3 <title>MayaChemTools:Documentation:MolecularFormula.pm</title> | |
| 4 <meta http-equiv="content-type" content="text/html;charset=utf-8"> | |
| 5 <link rel="stylesheet" type="text/css" href="../../css/MayaChemTools.css"> | |
| 6 </head> | |
| 7 <body leftmargin="20" rightmargin="20" topmargin="10" bottommargin="10"> | |
| 8 <br/> | |
| 9 <center> | |
| 10 <a href="http://www.mayachemtools.org" title="MayaChemTools Home"><img src="../../images/MayaChemToolsLogo.gif" border="0" alt="MayaChemTools"></a> | |
| 11 </center> | |
| 12 <br/> | |
| 13 <div class="DocNav"> | |
| 14 <table width="100%" border=0 cellpadding=0 cellspacing=2> | |
| 15 <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> | |
| 16 </table> | |
| 17 </div> | |
| 18 <p> | |
| 19 </p> | |
| 20 <h2>NAME</h2> | |
| 21 <p>MolecularFormula</p> | |
| 22 <p> | |
| 23 </p> | |
| 24 <h2>SYNOPSIS</h2> | |
| 25 <p>use MolecularFormula;</p> | |
| 26 <p>use MolecularFormula qw(:all);</p> | |
| 27 <p> | |
| 28 </p> | |
| 29 <h2>DESCRIPTION</h2> | |
| 30 <p><strong>MolecularFormula</strong> module provides the following functions:</p> | |
| 31 <p> <a href="#calculateelementalcomposition">CalculateElementalComposition</a>, <a href="#calculateexactmass">CalculateExactMass</a>, <a href="#calculatemolecularweight">CalculateMolecularWeight</a> | |
| 32 , <a href="#formatcompositioninfomation">FormatCompositionInfomation</a>, <a href="#getelementsandcount">GetElementsAndCount</a>, <a href="#ismolecularformula">IsMolecularFormula</a> | |
| 33 </p><p> | |
| 34 </p> | |
| 35 <h2>FUNCTIONS</h2> | |
| 36 <dl> | |
| 37 <dt><strong><a name="calculatemolecularweight" class="item"><strong>CalculateMolecularWeight</strong></a></strong></dt> | |
| 38 <dd> | |
| 39 <div class="OptionsBox"> | |
| 40 $MolecularWeight = CalculateMolecularWeight($MolecularFormula);</div> | |
| 41 <p>Calculates and returns the molecular weight for a specified <em>MolecularFormula</em>.</p> | |
| 42 </dd> | |
| 43 <dt><strong><a name="calculateelementalcomposition" class="item"><strong>CalculateElementalComposition</strong></a></strong></dt> | |
| 44 <dd> | |
| 45 <div class="OptionsBox"> | |
| 46 ($ElementsRef, $ElementCompositionRef) = | |
| 47 CalculateElementalComposition($MolecularFormula);</div> | |
| 48 <p>Calculates the percent composition in a specified <em>MolecularFormula</em> and returns references | |
| 49 to arrays containing elements and their percent composition.</p> | |
| 50 </dd> | |
| 51 <dt><strong><a name="calculateexactmass" class="item"><strong>CalculateExactMass</strong></a></strong></dt> | |
| 52 <dd> | |
| 53 <div class="OptionsBox"> | |
| 54 $ExactMass = CalculateMolecularWeight($MolecularFormula);</div> | |
| 55 <p>Calculates and returns the exact mass for a specified <em>MolecularFormula</em>.</p> | |
| 56 </dd> | |
| 57 <dt><strong><a name="formatcompositioninfomation" class="item"><strong>FormatCompositionInfomation</strong></a></strong></dt> | |
| 58 <dd> | |
| 59 <div class="OptionsBox"> | |
| 60 $FormattedString = FormatCompositionInfomation($ElementsRef, | |
| 61 $ElementCompositionRef, [$Precision]);</div> | |
| 62 <p>Returns a formatted elemental composition string using references to elements and elemental | |
| 63 composition arrays. Precision is an optional parameter; its default value is <em>2</em>.</p> | |
| 64 </dd> | |
| 65 <dt><strong><a name="getelementsandcount" class="item"><strong>GetElementsAndCount</strong></a></strong></dt> | |
| 66 <dd> | |
| 67 <div class="OptionsBox"> | |
| 68 ($ElementsRef, $ElementCountRef) = GetElementsAndCount( | |
| 69 $MolecularFormula);</div> | |
| 70 <p>Retrieves elements and their count composition in a specified <em>MolecularFormula</em> and | |
| 71 returns references to arrays containing elements and their count.</p> | |
| 72 </dd> | |
| 73 <dt><strong><a name="ismolecularformula" class="item"><strong>IsMolecularFormula</strong></a></strong></dt> | |
| 74 <dd> | |
| 75 <div class="OptionsBox"> | |
| 76 $Status = IsMolecularFormula($MolecularFormula); | |
| 77 <br/> ($Status, $ErrorMsg) = IsMolecularFormula($MolecularFormula);</div> | |
| 78 <p>Returns 1 or 0 a based on whether it's a valid <em>MolecularFormula</em>.</p> | |
| 79 </dd> | |
| 80 </dl> | |
| 81 <p> | |
| 82 </p> | |
| 83 <h2>AUTHOR</h2> | |
| 84 <p><a href="mailto:msud@san.rr.com">Manish Sud</a></p> | |
| 85 <p> | |
| 86 </p> | |
| 87 <h2>SEE ALSO</h2> | |
| 88 <p><a href="./Molecule.html">Molecule.pm</a> | |
| 89 </p> | |
| 90 <p> | |
| 91 </p> | |
| 92 <h2>COPYRIGHT</h2> | |
| 93 <p>Copyright (C) 2015 Manish Sud. All rights reserved.</p> | |
| 94 <p>This file is part of MayaChemTools.</p> | |
| 95 <p>MayaChemTools is free software; you can redistribute it and/or modify it under | |
| 96 the terms of the GNU Lesser General Public License as published by the Free | |
| 97 Software Foundation; either version 3 of the License, or (at your option) | |
| 98 any later version.</p> | |
| 99 <p> </p><p> </p><div class="DocNav"> | |
| 100 <table width="100%" border=0 cellpadding=0 cellspacing=2> | |
| 101 <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> | |
| 102 </table> | |
| 103 </div> | |
| 104 <br /> | |
| 105 <center> | |
| 106 <img src="../../images/h2o2.png"> | |
| 107 </center> | |
| 108 </body> | |
| 109 </html> |