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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 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 |