param_scatter_DFT.m

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%%    Eotvos Quantum Transport Utilities - param_scatter_DFT
%    Copyright (C) 2018 Peter Rakyta, Ph.D.
%
%    This program is free software: you can redistribute it and/or modify
%    it under the terms of the GNU General Public License as published by
%    the Free Software Foundation, either version 3 of the License, or
%    (at your option) any later version.
%
%    This program is distributed in the hope that it will be useful,
%    but WITHOUT ANY WARRANTY; without even the implied warranty of
%    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
%    GNU General Public License for more details.
%
%    You should have received a copy of the GNU General Public License
%    along with this program.  If not, see http://www.gnu.org/licenses/.
%
%> @addtogroup structures Structures
%> @{
%> @file param_scatter_DFT.m
%> @brief Base class to construct a structure containing physical parameters of the scattering region for DFT calculations.
%> @} 
%> @brief Base class to construct a structure containing physical parameters of the scattering region for DFT calculations.
%> @Available
%> EQuUs v4.9.145 or later
%%
classdef param_scatter_DFT

    properties
        %> The superconducting pair potential
        pair_potential
        %> An instance of structure @shape describing the geometry of the scattering region. 
        shape
        %> String containing the filename of the external Hamiltonain source  (see Custom_Hamiltonians for details) 
        FileName
        %> Cell array of structure @Atom. 
        Atom
        %> Fermi energy from the calculation that gave us the Hamiltonian (e.g.: DFT)
        E_Fermi
        %> Number of the element in the periodic table
        ElementNumber
        %> The chemical symbol of the atom
        ElementSymbol
        %> Lattice vectors of the bulk structure if it is one
        LatticeVectors
        %> The number of spins in the representations: 
        %Non Spinpolarized = 1
        %Collinear Spinpolarized = 2
        %Non Collinear Spinpolarized 4
        %Spin-orbit  = 8
        nspin
        %> Coordinates of the atoms
        coordinates
    end



methods (Access=public)
    
%% Contructor of the class
%> @brief Constructor of the class.
%> @return An instance of the class
    function obj = param_scatter_DFT() 
        
        % initializing class members
        obj.pair_potential = [];
        obj.shape = structures('shape');
        obj.FileName = [];
        obj.Atom = [];
        obj.E_Fermi = 0;
        obj.ElementNumber = 0;
        obj.ElementSymbol = '';
        obj.LatticeVectors = [1 0 0; 0 1 0; 0 0 1];
        obj.nspin = 1 ;
        coordinates = [];
        
    end
    
    
%% CopyParameters
%> @brief Copy the attributes of the input structure into the present object.
%> @param An instance of class identical to the present class or its superclass.
%> @return Returns with the modified class
    function obj = CopyParameters(obj, param_scatter_in ) 
        
        % checking the type of the class
        class_type_obj = class( obj );
        class_type_input = class( param_scatter_in );
        
        if ~strcmpi( class_type_input, class_type_obj )        
            supClasses = superclasses(obj);
            if sum( strcmp( supClasses, class_type_input ) ) == 0
                error(['EQuUs:Structures:', class(obj), ':CopyParameters'], 'Invalid type of the input parameter');
            end            
        end
        
        % copy the attribute from the input
        fieldnames_input = fieldnames( param_scatter_in );
        for idx = 1:length(fieldnames_input)
            fieldname = fieldnames_input{idx};
            obj.(fieldname) = param_scatter_in.(fieldname);
        end
        
    end    

    
end % public methods end

end