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comparison docs/modules/txt/MolecularFormula.txt @ 0:4816e4a8ae95 draft default tip
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| author | deepakjadmin |
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| date | Wed, 20 Jan 2016 09:23:18 -0500 |
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| -1:000000000000 | 0:4816e4a8ae95 |
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| 1 NAME | |
| 2 MolecularFormula | |
| 3 | |
| 4 SYNOPSIS | |
| 5 use MolecularFormula; | |
| 6 | |
| 7 use MolecularFormula qw(:all); | |
| 8 | |
| 9 DESCRIPTION | |
| 10 MolecularFormula module provides the following functions: | |
| 11 | |
| 12 CalculateElementalComposition, CalculateExactMass, | |
| 13 CalculateMolecularWeight, FormatCompositionInfomation, | |
| 14 GetElementsAndCount, IsMolecularFormula | |
| 15 | |
| 16 FUNCTIONS | |
| 17 CalculateMolecularWeight | |
| 18 $MolecularWeight = CalculateMolecularWeight($MolecularFormula); | |
| 19 | |
| 20 Calculates and returns the molecular weight for a specified | |
| 21 *MolecularFormula*. | |
| 22 | |
| 23 CalculateElementalComposition | |
| 24 ($ElementsRef, $ElementCompositionRef) = | |
| 25 CalculateElementalComposition($MolecularFormula); | |
| 26 | |
| 27 Calculates the percent composition in a specified *MolecularFormula* | |
| 28 and returns references to arrays containing elements and their | |
| 29 percent composition. | |
| 30 | |
| 31 CalculateExactMass | |
| 32 $ExactMass = CalculateMolecularWeight($MolecularFormula); | |
| 33 | |
| 34 Calculates and returns the exact mass for a specified | |
| 35 *MolecularFormula*. | |
| 36 | |
| 37 FormatCompositionInfomation | |
| 38 $FormattedString = FormatCompositionInfomation($ElementsRef, | |
| 39 $ElementCompositionRef, [$Precision]); | |
| 40 | |
| 41 Returns a formatted elemental composition string using references to | |
| 42 elements and elemental composition arrays. Precision is an optional | |
| 43 parameter; its default value is *2*. | |
| 44 | |
| 45 GetElementsAndCount | |
| 46 ($ElementsRef, $ElementCountRef) = GetElementsAndCount( | |
| 47 $MolecularFormula); | |
| 48 | |
| 49 Retrieves elements and their count composition in a specified | |
| 50 *MolecularFormula* and returns references to arrays containing | |
| 51 elements and their count. | |
| 52 | |
| 53 IsMolecularFormula | |
| 54 $Status = IsMolecularFormula($MolecularFormula); | |
| 55 ($Status, $ErrorMsg) = IsMolecularFormula($MolecularFormula); | |
| 56 | |
| 57 Returns 1 or 0 a based on whether it's a valid *MolecularFormula*. | |
| 58 | |
| 59 AUTHOR | |
| 60 Manish Sud <msud@san.rr.com> | |
| 61 | |
| 62 SEE ALSO | |
| 63 Molecule.pm | |
| 64 | |
| 65 COPYRIGHT | |
| 66 Copyright (C) 2015 Manish Sud. All rights reserved. | |
| 67 | |
| 68 This file is part of MayaChemTools. | |
| 69 | |
| 70 MayaChemTools is free software; you can redistribute it and/or modify it | |
| 71 under the terms of the GNU Lesser General Public License as published by | |
| 72 the Free Software Foundation; either version 3 of the License, or (at | |
| 73 your option) any later version. | |
| 74 |
