use MolecularFormula qw(:all);
MolecularFormula module provides the following functions:
CalculateElementalComposition, CalculateExactMass, CalculateMolecularWeight, FormatCompositionInfomation, GetElementsAndCount, IsMolecularFormula
Calculates and returns the molecular weight for a specified MolecularFormula.
Calculates the percent composition in a specified MolecularFormula and returns references to arrays containing elements and their percent composition.
Calculates and returns the exact mass for a specified MolecularFormula.
Returns a formatted elemental composition string using references to elements and elemental composition arrays. Precision is an optional parameter; its default value is 2.
Retrieves elements and their count composition in a specified MolecularFormula and returns references to arrays containing elements and their count.
Returns 1 or 0 a based on whether it's a valid MolecularFormula.
Copyright (C) 2023 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.