comparison docs/modules/txt/MolecularFormula.txt @ 0:4816e4a8ae95 draft default tip

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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