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author | deepakjadmin |
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date | Thu, 15 Dec 2016 14:18:03 -0500 |
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NAME MolecularFormula SYNOPSIS use MolecularFormula; use MolecularFormula qw(:all); DESCRIPTION MolecularFormula module provides the following functions: CalculateElementalComposition, CalculateExactMass, CalculateMolecularWeight, FormatCompositionInfomation, GetElementsAndCount, IsMolecularFormula FUNCTIONS CalculateMolecularWeight $MolecularWeight = CalculateMolecularWeight($MolecularFormula); Calculates and returns the molecular weight for a specified *MolecularFormula*. CalculateElementalComposition ($ElementsRef, $ElementCompositionRef) = CalculateElementalComposition($MolecularFormula); Calculates the percent composition in a specified *MolecularFormula* and returns references to arrays containing elements and their percent composition. CalculateExactMass $ExactMass = CalculateMolecularWeight($MolecularFormula); Calculates and returns the exact mass for a specified *MolecularFormula*. FormatCompositionInfomation $FormattedString = FormatCompositionInfomation($ElementsRef, $ElementCompositionRef, [$Precision]); Returns a formatted elemental composition string using references to elements and elemental composition arrays. Precision is an optional parameter; its default value is *2*. GetElementsAndCount ($ElementsRef, $ElementCountRef) = GetElementsAndCount( $MolecularFormula); Retrieves elements and their count composition in a specified *MolecularFormula* and returns references to arrays containing elements and their count. IsMolecularFormula $Status = IsMolecularFormula($MolecularFormula); ($Status, $ErrorMsg) = IsMolecularFormula($MolecularFormula); Returns 1 or 0 a based on whether it's a valid *MolecularFormula*. AUTHOR Manish Sud <msud@san.rr.com> SEE ALSO Molecule.pm COPYRIGHT Copyright (C) 2015 Manish Sud. All rights reserved. This file is part of MayaChemTools. 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.