ValidateStructures.m

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%%    Eotvos Quantum Transport Utilities - ValidateStructures
%    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 filters Filters
%> @{
%> @file ValidateStructures.m
%> @brief This function verify the input structures #Opt and #param and create system specific data structures.
%> @}
%> @brief This function verify the input structures #Opt and #param and create system specific data structures.
%> @param Opt An instance of structure #Opt
%> @param param An instance of structure #param
%> @return [1] An instance of structure #Opt
%> @return [2] An instance of structure #param
function [Opt, param] = ValidateStructures( Opt, param )

filename = mfilename('fullpath');
[directory, fncname] = fileparts( filename );


% checking the number of leads
if isempty( Opt.NofLeads )
   Opt.NofLeads = length( param.Leads );
elseif length( param.Leads ) > Opt.NofLeads
    warning(['EQuUs:Filters:', fncname], 'Structure param contains more leads as structure Opt. Reducing number of leads');
elseif length( param.Leads ) < Opt.NofLeads    
    error(['EQuUs:Filters:', fncname], 'Structure param contains less leads as structure Opt.');
end


% checking the lattice type
if isempty( Opt.Lattice_Type )
   if isempty( Opt.custom_Hamiltonians )
       
   end
end

Lattice_Type = Opt.Lattice_Type;
custom_Hamiltonians = Opt.custom_Hamiltonians;

    param.scatter = ConvertParamScatter( param.scatter );
    for idx = 1:length( param.Leads )
        
        % handling obsolete XML parameter 'orientation'
        if isfield( param.Leads{idx}, 'orientation' )
            param.Leads{idx}.Lead_Orientation = param.Leads{idx}.orientation;
        end
        
        param.Leads{idx} =  ConvertParamLead( param.Leads{idx} );
       
    end

%TODO
% check data consistency like LeadNum, orientation VS Lead_orientation
% create lattice specific data structures

    %% ConvertParam
    %> @brief Convert structure param relsted to the scattering region to system specific structure.
    %> @param param_in In stance of structure #param_scatter.
    %> @return Returns with the system specific strucutre #param_scatter
    function param = ConvertParamScatter( param_in )
        
        if strcmpi(custom_Hamiltonians, 'Siesta')  
            param = param_scatter_DFT(); 
        elseif strcmpi(custom_Hamiltonians, 'yaehmop') 
            param = param_scatter_DFT();
        elseif strcmpi(Lattice_Type, 'Square')
            param = param_Square_scatter();
        elseif strcmpi(Lattice_Type, 'SSH')
            param = param_SSH_scatter();
        elseif strcmp(Lattice_Type, 'Lieb')   
            param = param_Lieb_scatter();
        elseif strcmp(Lattice_Type, 'BiTeI')
            param = param_BiTeI_scatter();
        elseif strcmp(Lattice_Type, 'Graphene')
            param = param_Graphene_scatter();
        elseif strcmpi(Lattice_Type, 'Graphene_Bilayer')
            param = param_Graphene_Bilayer_scatter();
        elseif strcmpi(Lattice_Type, 'Graphene_Bilayer_2')
            param = param_Graphene_Bilayer_scatter();
        elseif strcmpi(Lattice_Type, 'Graphene_Bilayer_3')
            param = param_Graphene_Bilayer_scatter();
        elseif strcmpi(Lattice_Type, 'Silicene')
            param = param_Silicene_scatter();
        elseif strcmpi(Lattice_Type, 'Triangle')
            param = param_Triangle_Lead();
        elseif strcmpi(Lattice_Type, 'TMDC_Monolayer')
            param = param_TMDC_Monolayer_scatter();
        elseif strcmpi(Lattice_Type, 'TMDC_Monolayer_SOC')
            param = param_TMDC_Monolayer_SOC_scatter();
        elseif strcmpi(Lattice_Type, 'TMDC_Bilayer_SOC')
            param = param_TMDC_Bilayer_SOC_scatter();         
        elseif isempty(Lattice_Type)
            param = param_scatter();            
        end
        
        param_fieldnames = fieldnames( param );
        for iidx = 1:length( param_fieldnames )
            fieldname = param_fieldnames{iidx};
            
            if ~isfield( param_in, fieldname )
                continue
            end
            
            param.(fieldname) = param_in.(fieldname);
        end
    
        
    end

    %% ConvertParam
    %> @brief Convert structure param relsted to the scattering region to system specific structure.
    %> @param param_in In stance of structure #param_Lead.
    %> @return Returns with the system specific strucutre #param_Lead
    function param = ConvertParamLead( param_in )
        
        if strcmpi(custom_Hamiltonians, 'Siesta')  
            param = param_Lead_DFT(); 
        elseif strcmpi(custom_Hamiltonians, 'yaehmop') 
            param = param_Lead_DFT();
        elseif strcmpi(Lattice_Type, 'Square')
            param = param_Square_Lead();
        elseif strcmpi(Lattice_Type, 'SSH')
            param = param_SSH_Lead();
        elseif strcmp(Lattice_Type, 'Lieb')   
            param = param_Lieb_Lead();
        elseif strcmp(Lattice_Type, 'BiTeI')
            param = param_BiTeI_Lead();
        elseif strcmp(Lattice_Type, 'Graphene')
            param = param_Graphene_Lead();
        elseif strcmpi(Lattice_Type, 'Graphene_Bilayer')
            param = param_Graphene_Bilayer_Lead();
        elseif strcmpi(Lattice_Type, 'Graphene_Bilayer_2')
            param = param_Graphene_Bilayer_Lead();
        elseif strcmpi(Lattice_Type, 'Graphene_Bilayer_3')
            param = param_Graphene_Bilayer_Lead();
        elseif strcmpi(Lattice_Type, 'Silicene')
            param = param_Silicene_Lead();
        elseif strcmpi(Lattice_Type, 'Triangle')
            param = param_Triangle_Lead();
        elseif strcmpi(Lattice_Type, 'TMDC_Monolayer')
            param = param_TMDC_Monolayer_Lead();
        elseif strcmpi(Lattice_Type, 'TMDC_Monolayer_SOC')
            param = param_TMDC_Monolayer_SOC_Lead();
        elseif strcmpi(Lattice_Type, 'TMDC_Bilayer_SOC')
            param = param_TMDC_Bilayer_SOC_Lead();
        elseif isempty(Lattice_Type)
            param = param_Lead(); 
        end
        
        param_fieldnames = fieldnames( param );
        for iidx = 1:length( param_fieldnames )
            fieldname = param_fieldnames{iidx};
            
            if ~isfield( param_in, fieldname )
                continue
            end
            
            param.(fieldname) = param_in.(fieldname);
        end 
    
        
    end

end