NAME
    AtomsCountDescriptors

SYNOPSIS
    use MolecularDescriptors::AtomsCountDescriptors;

    use MolecularDescriptors::AtomsCountDescriptors qw(:all);

DESCRIPTION
    AtomsCountDescriptors class provides the following methods:

    new, GenerateDescriptors, GetDescriptorNames,
    StringifyAtomsCountDescriptors

    AtomsCountDescriptors is derived from MolecularDescriptors class which
    in turn is derived from ObjectProperty base class that provides methods
    not explicitly defined in AtomsCountDescriptors, MolecularDescriptors or
    ObjectProperty classes using Perl's AUTOLOAD functionality. These
    methods are generated on-the-fly for a specified object property:

        Set<PropertyName>(<PropertyValue>);
        $PropertyValue = Get<PropertyName>();
        Delete<PropertyName>();

    AtomsCountDescriptors class counts the number of atoms and heavy atoms
    in a molecule corresponding to total number of atom and non-hydrogen
    atoms respectively.

  METHODS
    new
            $NewAtomsCountDescriptors = new MolecularDescriptors::
                                        AtomsCountDescriptors(
                                        %NamesAndValues);

        Using specified *AtomsCountDescriptors* property names and values
        hash, new method creates a new object and returns a reference to
        newly created AtomsCountDescriptors object. By default, the
        following properties are initialized:

            Molecule = ''
            Type = 'AtomsCount'

            @DescriptorNames = ('Atoms', 'HeavyAtoms')
            @DescriptorValues = ('None', 'None')

        Examples:

            $AtomsCountDescriptors = new AtomsCountDescriptors(
                                      'Molecule' => $Molecule);

            $AtomsCountDescriptors = new AtomsCountDescriptors();

            $AtomsCountDescriptors->SetMolecule($Molecule);
            $AtomsCountDescriptors->GenerateDescriptors();
            print "AtomsCountDescriptors: $AtomsCountDescriptors\n";

    GenerateDescriptors
            $AtomsCountDescriptors->GenerateDescriptors();

        Calculates number of atoms and heavy atoms in a molecule and returns
        *AtomsCountDescriptors*.

    GetDescriptorNames
            @DescriptorNames = $AtomsCountDescriptors->GetDescriptorNames();
            @DescriptorNames = MolecularDescriptors::AtomsCountDescriptors::
                               GetDescriptorNames();

        Returns all available descriptor names as an array.

    StringifyAtomsCountDescriptors
            $String = $AtomsCountDescriptors->StringifyAtomsCountDescriptors();

        Returns a string containing information about
        *AtomsCountDescriptors* object.

AUTHOR
    Manish Sud <msud@san.rr.com>

SEE ALSO
    MolecularDescriptors.pm, MolecularDescriptorsGenerator.pm

COPYRIGHT
    Copyright (C) 2018 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.

