#===============================================
# SemiconductorFromDFTDOS
#===============================================
package SemiconductorFromDFTDOS;
use TkFittingCommon2;
@ISA = qw(TkFittingCommon2);

#公開したいサブルーチン
#@EXPORT = qw(DelSpace Reduce01 MakePath RegExpQuote);

use strict;

use Utils;
use IniFile;
use CSV;

use MyTk::GraphFrameArray;
use MyTk::MyDragDrop;
use GraphData;

use Sci::Science;
use Sci::Optimize;
use Crystal::VASP;
use Sci::SemiconductorFromDFT;
use Sci::PES;
use Sci::Ellipsometry;

#============================================================
#　変数等取得関数
#============================================================
	my $ProgramName = "Semiconductor From DFT DOS";

#============================================================
#　コンストラクタ、デストラクタ
#============================================================
#呼び出されることはない
sub new
{
	my ($class, $app, @a) = @_;
#	my ($module, $app, $canvas) = @_;

	my $self = TkFittingCommon2->new($app, @a);
	my $this = bless $self, $class;
#	my $this = {};
#	bless $this;
	$this->SetApplication($app) if($app);
#	$this->SetCanvas($canvas) if($canvas);

	return $this;
}

sub DESTROY
{
	my $this = shift;
	$this->SUPER::DESTROY(@_);
}

#============================================================
#　継承クラスで定義しなおす関数
#============================================================
sub CreateLeftFrame
{
	my ($this, $ConfigSide, @args) = @_;
#	return $this->SUPER::CreateLeftFrame();
	return undef;
}

sub CreateSelectFilePane
{
	my ($this) = @_;
#	return $this->SUPER::CreateSelectFilePane();
	return undef;
}

sub CreateFileContentPane
{
	return undef;
}

sub CreateWidgets
{
	my ($this, $DoSuperOnly) = @_;
	$DoSuperOnly = 0 if(!defined $DoSuperOnly);
	my $mw     = $this->mw();

	$this->{ini}  = new IniFile(undef, 0, 0);
	$this->{dini} = new IniFile(undef, 0, 0);
	$this->{ini}->{nStepBG} = 0;
	$this->{ini}->{nGL}     = 0;
#	$this->{DataFile} = new Ellipsometry;
	$this->InitializeParameters($this->{ini}, $this->{dini});

	$this->SUPER::CreateWidgets();
	return if($DoSuperOnly);

	$mw->SetTitle("$ProgramName / TkPlot");
	$this->App()->SetProgram("$ProgramName / TkPlot");

#===================================================
# ペインを作製
#===================================================
	my $EntryWidth = $this->{EntryWidth} = 12;

	$mw->{NoteBook} = $this->MakeNotebookPanes($mw, $EntryWidth,
			$this->{ini}->pVariable("nFilmLayers", 1),
			$this->{ini}->pVariable("nLorentz",    0),
			$this->{ini}->pVariable("nDrude",      0),
			$this->{ini}->pVariable("nStepBG",     0),
			$this->{ini}->pVariable("nGL",         0),
#			[qw(Main Vars1 Vars2 ViewRange LSQ GaussLorentz Setup GraphFrame)],
			[qw(Main Defects Setup GraphFrame)],
			[qw(nPESStepBG nGaussLorentz)],
		);
	$mw->{NoteBook}->pack(-fill => 'both', -expand => 'yes');

	$this->UpdateParameters();

#ツールバーのOpenボタンをファイル読み込みにバインドする
	my $Samplefmask = '*.csv;*.spe;*.jel;*.asp;*.smo;*isa;*.ref;*.pal;*.bef;*.aft;*.txt';
	$mw->{OpenButton}->configure(
			-command  => sub { 
					$this->{SampleCSV} = $this->ChooseFile("open", $Samplefmask, "ChooseSampleFile", 
										"SampleCSV", $this->{SampleFileFrame});
				},
		) if($mw->{OpenButton});

	my $DragDrop = new MyDragDrop();
	$DragDrop->ConfigureDrop(
				$this->mw(),
				[
					"\\.prm\$",  $this->{ParamFileEntry},
					sub { $this->ReadParameterFile($_[0]); },
				],
				[
					".*",     $this->{Sample1CSVFileEntry},
					sub { 
						$this->{Sample1CSVFileEntry}->SetText($_[0]);
#						$this->ReadSampleDataFile($_[0], 1, 1); 
					},
				],
			);

	my $IniFile = $this->App()->IniFile();
#	$this->SetGeometry($IniFile->GetString("Window", "geometry", ''));
	$this->InitWindowPosition($IniFile->GetString("Window", "geometry", ''));

	$this->OnDestroy( sub { 
				$this->App()->IniFile()->WriteString("Window", "geometry", $this->geometry());
#				$this->Close();
			} );
#	$this->{FileNameEntry}->bind('<Destroy>' => sub { $this->Close(); } );

	$this->bind('<Configure>' => sub {
				my ($widget) = @_;
				if($widget =~ /PESFit=/) {
					$this->App()->IniFile()->WriteString("Window", "geometry", $this->geometry());
				}
			} );
}

sub BuildMainPane
{
	my ($this, $MainPaneFrame, $EntryWidth) = @_;

	my $Frame = $MainPaneFrame->MyFrame()->pack(-anchor => 'nw', -fill => 'x');
	my $savefmask = '*.csv;*.ini;*.txt';
	$this->{ParameterFileFrame} = $this->MakeChooseFileEntry(
				$Frame, 'Param', 'Param:', $this->{ini}->pVariable("ParameterFile", ""), 
				'&Choose', sub {
					$this->ChooseFile("open", $savefmask, "ChooseParameterFile", @_); 
				},
			1,         sub { $this->SaveParameterFile("SaveParam", '', @_); },
			1,         sub { $this->EditFile('EditParam', @_); },
			[]
			);
	$this->{ParameterFileFrame}->pack(-anchor => 'nw', -fill => 'x');

	$Frame = $MainPaneFrame->MyFrame()->pack(-anchor => 'nw', -fill => 'x');
	my $CARDirfmask = '*.*';
	$this->{CARDirFrame} = $this->MakeChooseFileEntry(
				$Frame, 'CARDir', 'CAR Dir:', $this->{ini}->pVariable("CARDir", ""), 
				'&Choose', sub {
						$this->{CARDir} = $this->ChooseFile("open", $CARDirfmask, "ChooseSampleFile", @_);
						$this->AssignGraphData();
						$this->Draw();
					},
				0,         sub {},
				0,         sub {},
				['X1', 'Y1']
				);
	$this->{CARDirFrame}->pack(-anchor => 'nw', -fill => 'x');

	$Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'General',
			-labelside => 'acrosstop',
		)->pack(-anchor => 'nw');
	$this->{ChooseActionListBox} = $Frame->MyBrowseEntry(
			-variable   => $this->{dini}->pVariable('Action', ''),
			-label      => "Action:",
			-state      => "readonly",
			-takefocus  => 1,
			-width      => 8,
			-Selections => ['Ne-T', 'Hf-EF', 'PlotHf-EF'],
#			-SelIndex   => 0,
		)->pack(-side => 'left', -expand => 'yes', -fill => 'x');
	$this->{ChooseActionListBox}->configure(
			-browsecmd  => sub { $this->SelChangeListBox("Action", $this->{ChooseActionListBox}); }
		);
#	$this->{ChooseActionListBox}->SetText($this->{dini}->{Action});

	$Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Convergence',
			-labelside => 'acrosstop',
		)->pack(-anchor => 'nw');
	$this->MakeLabelEntry($Frame, "nMaxIter", "nMaxIter:", $this->{dini}->pVariable("nMaxIter", '300'), "%d", $EntryWidth, "", 0, 0, "normal");
	$this->MakeLabelEntry($Frame, "xEPS",     "xEPS:",     $this->{dini}->pVariable("xEPS", 1e-15),     "%e", $EntryWidth, "", 0, 1, "normal");
	$this->MakeLabelEntry($Frame, "SEPS",     "SEPS:",     $this->{dini}->pVariable("SEPS", 1e3),       "%e", $EntryWidth, "", 0, 2, "normal");

	$Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Plot',
			-labelside => 'acrosstop',
			)->pack(-anchor => 'nw');
	$this->MakeLabelEntry($Frame, "Emin", "E:",   $this->{dini}->pVariable("Emin", ''), "%g", $EntryWidth, "",   0, 0, "normal");
	$this->MakeLabelEntry($Frame, "Emax", " - ",  $this->{dini}->pVariable("Emax", ''), "%g", $EntryWidth, "eV", 0, 1, "normal");
	$this->MakeLabelEntry($Frame, "nE",   " nE:", $this->{dini}->pVariable("nE", ''),   "%d", $EntryWidth, "",   0, 2, "normal");
	$this->MakeLabelEntry($Frame, "Tmin",   "T:",     $this->{dini}->pVariable("Tmin", ''),  "%g", $EntryWidth, "",  0, 0, "normal");
	$this->MakeLabelEntry($Frame, "Tmax",   " - ",    $this->{dini}->pVariable("Tmax", ''),  "%g", $EntryWidth, "",  0, 1, "normal");
	$this->MakeLabelEntry($Frame, "Tstepx", " step:", $this->{dini}->pVariable("Tstep", ''), "%g", $EntryWidth, "K", 0, 2, "normal");

	$Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Temperature',
			-labelside => 'acrosstop',
			)->pack(-anchor => 'nw');
	$this->MakeLabelEntry($Frame, "Electron", "Telectron:", $this->{dini}->pVariable("Telectron", ''), "%g", $EntryWidth, "K", 0, 0, "normal");
	$this->MakeLabelEntry($Frame, "Defect",   "Tdefect:",   $this->{dini}->pVariable("Tdefect", ''),   "%g", $EntryWidth, "K", 0, 1, "normal");

	$Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Band structure',
			-labelside => 'acrosstop',
		)->pack(-anchor => 'nw');
	$this->MakeLabelEntry($Frame, "EV", "EV:", $this->{dini}->pVariable("EV", 0.0), "%g", $EntryWidth, "eV", 0, 0, "normal");
	$this->MakeLabelEntry($Frame, "EC", "EC:", $this->{dini}->pVariable("EC", ''),  "%g", $EntryWidth, "eV", 0, 1, "normal");

	$Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Doping',
			-labelside => 'acrosstop',
		)->pack(-anchor => 'nw');
	$this->MakeLabelEntry($Frame, "ND", "ND:", $this->{dini}->pVariable("ND", 0.0), "%e", $EntryWidth, "cm-3", 0, 0, "normal");
	$this->MakeLabelEntry($Frame, "ED", "ND:", $this->{dini}->pVariable("ED", 0.0), "%g", $EntryWidth, "eV",   0, 1, "normal");
	$this->MakeLabelEntry($Frame, "NA", "NA:", $this->{dini}->pVariable("NA", 0.0), "%e", $EntryWidth, "cm-3", 1, 0, "normal");
	$this->MakeLabelEntry($Frame, "EA", "EA:", $this->{dini}->pVariable("EA", 0.0), "%g", $EntryWidth, "eV",   1, 1, "normal");

	$Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Formation energy',
			-labelside => 'acrosstop',
			)->pack(-anchor => 'nw');
#	$this->MakeCheckEntry($Frame, "IgnoreS", "Ignore S for Gf", $this->{dini}->pVariable('IgnoreS', 0),
#			$this->{ini}->pVariable('IgnoreS', 1), "%g", $EntryWidth, "", 0, 0);
#	$this->MakeCheckEntry($Frame, "IgnoreSForMinHf", "Ignore S for Plot Hf-EF", $this->{dini}->pVariable('IgnoreSForMinHf', 0),
#			$this->{ini}->pVariable('IgnoreSForMinHf', 1), "%g", $EntryWidth, "", 0, 1);
	$Frame->MyCheckbutton(
		-text     => "Ignore S for Gf ",
		-variable => $this->{ini}->pVariable('IgnoreS', 0),
		-onvalue  => 1,
		-offvalue => 0,
		-indicatoron => 'no',
		-takefocus   => 1,
		)->grid(-row => 0, -column => 0, -columnspan => 1, -sticky => 'e' );
#	$this->{$ButtonLabel}->{status} = $$pCheckVariable;
#	$button->configure(-command => sub { print "$label1 is pressed [", $button->GetText(), "]\n"; });
	$Frame->MyCheckbutton(
		-text     => "Ignore S for Plot Hf-EF ",
		-variable => $this->{ini}->pVariable('IgnoreSForMinHf', 1),
		-onvalue  => 1,
		-offvalue => 0,
		-indicatoron => 'no',
		-takefocus   => 1,
		)->grid(-row => 0, -column => 1, -columnspan => 1, -sticky => 'e' );

#	$Frame->MyEntry(
#		-name         => "Emin",
#		-width        => $EntryWidth,
#		-textvariable => $this->{dini}->pVariable("Emin", ''),
#		-format       => "%g",
#		-takefocus    => 1,
#		-state        => 'normal'
#		)->grid(-row => 0, -column => 0, -columnspan => 1, -sticky => 'e' );
#	$this->MakeCheckEntry($Frame, "EF", "EF:", $this->{dini}->pVariable('EFcheck', 0),
#			$this->{ini}->pVariable('EF', 0.0), "%g", $EntryWidth, "eV", 0, 0);

	$this->BuildFooter($MainPaneFrame, $EntryWidth);
	$this->UpdateParameters();

return;


#	$Frame = $MainPaneFrame->MyFrame()->pack(-anchor => 'nw', -fill => 'x');
#	my $Samplefmask = '*.csv;*.spe;*.jel;*.asp;*.smo;*isa;*.ref;*.pal;*.bef;*.aft;*.txt';
#	$this->{SampleFileFrame} = $this->MakeChooseFileEntry(
#				$Frame, 'SampleCSV', 'Sample:', $this->{ini}->pVariable("SampleCSVFile", ""), 
#				'&Choose', sub {
#						$this->{SampleCSV} = $this->ChooseFile("open", $Samplefmask, "ChooseSampleFile", @_);
#						$this->AssignGraphData();
#						$this->Draw();
#					},
#				0,         sub {},
#				1,         sub { $this->EditFile('EditSampleCSV', @_); },
#				['X1', 'Y1']
#				);
#	$this->{SampleFileFrame}->pack(-anchor => 'nw', -fill => 'x');
#	$this->{SampleFileFrame}->{pXDataLabel} = ['.*E.*', '.*eV.*'];
#	$this->{SampleFileFrame}->{pYDataLabel} = ['.*signal.*', 'i.*', '.*'];

	$Frame = $MainPaneFrame->MyFrame()->pack(-anchor => 'nw', -fill => 'x');
	$this->mw()->{LSQFrame2} = $this->MakeLSQPanes(
				$Frame, $EntryWidth,
				'Fitting',
				[qw(FittingRange)],
				[],
				[],
				['FitXMin', 'Emin:', 'FitXMax', 'Emax:', 'nSkipData', 'nSkip:'],
				['EPS', 'EPS:', 'nMaxIter', 'MaxIter:', 'nSaveSpectraInterval', 'SaveIntvl:'], 
			);
	$this->mw()->{LSQFrame2}->pack(-anchor => 'nw', -expand => 'yes', -fill => 'x');

	my $lsb6 = $this->{ChooseConductionTypeListBox} = $Frame->MyBrowseEntry(
			-variable   => $this->{ini}->pVariable('ConductionType', 'Metal'),
			-label      => "Conduction Type:",
			-state      => "readonly",
			-takefocus  => 1,
			-width      => 10,
			-Selections => ['Metal', 'Semiconductor'],
			-SelIndex   => 0,
		)->pack(-side => 'left', -expand => 'yes', -fill => 'x');
	$lsb6->configure(-browsecmd  => sub { $this->SelChangeListBox("ConductionType", $this->{ChooseConductionTypeListBox}); });

	$Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Fermi-Dirac distribution',
			-labelside => 'acrosstop',
			)->pack(-anchor => 'nw');
	$this->MakeCheckEntry($Frame, "EF", "EF:", $this->{dini}->pVariable('EFcheck', 0),
			$this->{ini}->pVariable('EF', 0.0), "%g", $EntryWidth, "eV", 0, 0);
	$this->MakeCheckEntry($Frame, "T", "T:", $this->{dini}->pVariable('Tcheck', 0),
			$this->{ini}->pVariable('T', 300.0), "%g", $EntryWidth, "K", 0, 1);
	$this->MakeCheckEntry($Frame, "Wa", "Wa:", $this->{dini}->pVariable('Wacheck', 1),
			$this->{ini}->pVariable('Wa', 0.1), "%g", $EntryWidth, "eV", 0, 2);

	$Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Constant / Step BGs',
			-labelside => 'acrosstop',
			)->pack(-anchor => 'nw');
	$this->MakeCheckEntry($Frame, "BG", "BG:", $this->{dini}->pVariable('BGcheck', 0),
			$this->{ini}->pVariable('BG', 0.0), "%g", $EntryWidth, "", 0, 0);
	for(my $i = 0 ; $i < $this->{ini}->{nStepBG} ; $i++) {
		$this->MakeCheckEntry($Frame, "EBG0$i", "E0:", $this->{dini}->pVariable("EBG0${i}check", 0),
				$this->{ini}->pVariable("EBG0$i", 0.0),   "%g", $EntryWidth, "eV", $i+1, 0);
		$this->MakeCheckEntry($Frame, "BGLeft$i", "Left:", $this->{dini}->pVariable("BGLeft${i}check", 0),
				$this->{ini}->pVariable("BGLeft$i", 0.0), "%g", $EntryWidth, "",   $i+1, 1);
		$this->MakeCheckEntry($Frame, "WBG$i", "W:", $this->{dini}->pVariable("WBG${i}check", 0),
				$this->{ini}->pVariable("WBG$i", 0.3),    "%g", $EntryWidth, "eV", $i+1, 2);
	}

	$Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Conduction / Valnce bands, Cut off, Secondary electron exponent',
			-labelside => 'acrosstop',
			)->pack(-anchor => 'nw');
	$this->MakeCheckEntry($Frame, "ECBM", "ECBM:", $this->{dini}->pVariable('ECBMcheck', 0),
			$this->{ini}->pVariable('ECBM', 0.0), "%g", $EntryWidth, "eV", 0, 0);
	$this->MakeCheckEntry($Frame, "D0CB", "D0:", $this->{dini}->pVariable('D0CBcheck', 0),
			$this->{ini}->pVariable('D0CB', 0.0), "%g", $EntryWidth, "", 0, 1);
	$this->MakeCheckEntry($Frame, "k0Metal", "k0(metal):", $this->{dini}->pVariable('k0Metalcheck', 0),
			$this->{ini}->pVariable('k0Metal', 0.0), "%g", $EntryWidth, "", 0, 2);
	$this->MakeCheckEntry($Frame, "EVBM", "EVBM:", $this->{dini}->pVariable('EVBMcheck', 0),
			$this->{ini}->pVariable('EVBM', 0.0), "%g", $EntryWidth, "eV", 1, 0);
	$this->MakeCheckEntry($Frame, "D0VB", "D0:", $this->{dini}->pVariable('D0VBcheck', 0),
			$this->{ini}->pVariable('D0VB', 0.0), "%g", $EntryWidth, "", 1, 1);
	$this->MakeCheckEntry($Frame, "Ecut", "Ecut:", $this->{dini}->pVariable('Ecutcheck', 0),
			$this->{ini}->pVariable('Ecut', 0.0), "%g", $EntryWidth, "eV", 2, 0);
	$this->MakeCheckEntry($Frame, "K0Ecut", "K0:", $this->{dini}->pVariable('K0Ecutcheck', 0),
			$this->{ini}->pVariable('K0Ecut', 0.0), "%g", $EntryWidth, "", 2, 1);
	$this->MakeCheckEntry($Frame, "BGcut", "BG:", $this->{dini}->pVariable('BGcutcheck', 0),
			$this->{ini}->pVariable('BGcut', 0.0), "%g", $EntryWidth, "", 2, 2);
	$this->MakeCheckEntry($Frame, "C0Exp", "C0:", $this->{dini}->pVariable('C0Expcheck', 0),
			$this->{ini}->pVariable('C0Exp', 0.0), "%g", $EntryWidth, "", 3, 0);
	$this->MakeCheckEntry($Frame, "WExp", "W:", $this->{dini}->pVariable('WExpcheck', 0),
			$this->{ini}->pVariable('WExp', 1.0), "%g", $EntryWidth, "eV", 3, 1);
	$this->MakeCheckEntry($Frame, "BetaExp", "beta:", $this->{dini}->pVariable('BetaExpcheck', 0),
			$this->{ini}->pVariable('BetaExp', 1.0), "%g", $EntryWidth, "", 3, 2);

#	$Frame = $MainPaneFrame->MyFrame()->pack(-anchor => 'nw', -fill => 'x');
	$Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Gauss-Lorentz functions',
			-labelside => 'acrosstop',
			)->pack(-side => 'top', -fill => 'x');
	for(my $i = 0 ; $i < $this->{ini}->{nGL} ; $i++) {
		$this->MakeCheckEntry($Frame, "GLE0$i", "E0:", $this->{dini}->pVariable("GLE0${i}check", 0),
				$this->{ini}->pVariable("GLE0$i", 0.0),   "%g", $EntryWidth, "eV", 2*$i, 0);
		$this->MakeCheckEntry($Frame, "GLC0$i", "C0:", $this->{dini}->pVariable("GLC0${i}check", 0),
				$this->{ini}->pVariable("GLC0$i", 0.0), "%g", $EntryWidth, "",   2*$i, 1);
		$this->MakeCheckEntry($Frame, "GLWL$i", "WL:", $this->{dini}->pVariable("GLWL${i}check", 0),
				$this->{ini}->pVariable("GLWL$i", 0.3),    "%g", $EntryWidth, "", 2*$i, 2);
		$this->MakeCheckEntry($Frame, "GLGFraction$i", "GaussF:", $this->{dini}->pVariable("GLGFraction${i}check", 0),
				$this->{ini}->pVariable("GLGFraction$i", 1.0), "%g", $EntryWidth, "",   2*$i+1, 1);
		$this->MakeCheckEntry($Frame, "GLGWRatio$i", "WRatio:", $this->{dini}->pVariable("GLGWRatio${i}check", 0),
				$this->{ini}->pVariable("GLGWRatio$i", 1.0),    "%g", $EntryWidth, "", 2*$i+1, 2);
	}

	$this->BuildFooter($MainPaneFrame, $EntryWidth);
	$this->UpdateParameters();
}


sub BuildDefectsPane
{
	my ($this, $MainPaneFrame, $EntryWidth) = @_;

	my $ini  = $this->{ini};
	my $pDefectHash       = $ini->{pDefectHash};
	my $pDefectHashLabels = $ini->{pDefectDataLabels};
	my $pNames            = $pDefectHash->{pOrderedNames};
	if(!$pNames) {
print("\nError in SemiconductorFromDFTDOS::BuildDefectsPane: Can not get pOrderedNames\n");
		return;
	}

	my $Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Defects',
			-labelside => 'acrosstop',
			)->pack(-side => 'top', -fill => 'x');

	my $idx = 0;
	for(my $i = 0 ; $i < @$pNames ; $i++) {
		my $name = $pNames->[$i];
#print("  $name:\n");
		my $pDefect = $pDefectHash->{$name};
#print "pDefect=$pDefect\n";
		my $pQName  = $pDefect->{pOrderedQ};
#print "pQName=$pQName\n";
		for(my $j = 0 ; $j < @$pQName ; $j++) {
			my $q        = $pQName->[$j];
			my $pDefectQ = $pDefect->{$q};
#print "pDefectQ=$pDefectQ\n";
			next if(!$pDefectQ);

#print("    q=$q:\n");
			$this->MakeLabelEntry($Frame, "DefectName$idx", "",      \$pDefectQ->{Name}, "%s", $EntryWidth, "", $idx, 0, "normal");
			$this->MakeLabelEntry($Frame, "Defectq$idx",    "q:",    \$pDefectQ->{q},    "%g", 3,           "", $idx, 1, "normal");
			$this->MakeLabelEntry($Frame, "Hf00$idx",       "Hf00:", \$pDefectQ->{Hf00}, "%g", $EntryWidth, "", $idx, 2, "normal");
			$this->MakeLabelEntry($Frame, "dS$idx",         "dS:",   \$pDefectQ->{dS},   "%g", 5,           "", $idx, 3, "normal");
			$this->MakeLabelEntry($Frame, "DefectSite$idx", "Site:", \$pDefectQ->{Site}, "%s", 5,           "", $idx, 4, "normal");
#			$this->MakeCheckEntry($Frame, "GLE0$i", "E0:", $this->{dini}->pVariable("GLE0${i}check", 0),
#					$this->{ini}->pVariable("GLE0$i", 0.0),   "%g", $EntryWidth, "eV", 2*$i, 0);
			$idx++;
		}
	}

}

sub BuildVars1Pane
{
	my ($this, $MainPaneFrame, $EntryWidth) = @_;
return;

	my $Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Fermi-Dirac distribution',
			-labelside => 'acrosstop',
			)->pack(-anchor => 'nw');
	my $row = 1;
	$this->MakeParameterConditionHeading($Frame, 0, 0);
	my @list = qw(EF T Wa);
	foreach my $key (@list) {
		$this->MakeParameterConditionColumn($Frame, "$key", "$key:", "%12.6g", 
			$this->{dini}->pVariable("$key", 0.0),        $this->{dini}->pVariable("${key}check", 0),
			$this->{dini}->pVariable("${key}scale", 0.1), $this->{dini}->pVariable("${key}min", ''), $this->{dini}->pVariable("${key}max", ''), 
			$EntryWidth, $row++);
	}

	$Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Constant / Step BGs',
			-labelside => 'acrosstop',
			)->pack(-anchor => 'nw');
	$row = 1;
	$this->MakeParameterConditionHeading($Frame, 0, 0);
	my @list = qw(BG);
	foreach my $key (@list) {
		$this->MakeParameterConditionColumn($Frame, "$key", "$key:", "%12.6g", 
			$this->{dini}->pVariable("$key", 0.0),        $this->{dini}->pVariable("${key}check", 0),
			$this->{dini}->pVariable("${key}scale", 0.1), $this->{dini}->pVariable("${key}min", ''), $this->{dini}->pVariable("${key}max", ''), 
			$EntryWidth, $row++);
	}
	for(my $i = 0 ; $i < $this->{ini}->{nStepBG} ; $i++) {
		my @list = qw(EBG0 BGLeft WBG);
		foreach my $key0 (@list) {
			my $key = "$key0$i";
			$this->MakeParameterConditionColumn($Frame, "$key", "$key:", "%12.6g", 
				$this->{dini}->pVariable("$key", 0.0),        $this->{dini}->pVariable("${key}check", 0),
				$this->{dini}->pVariable("${key}scale", 0.1), $this->{dini}->pVariable("${key}min", ''), $this->{dini}->pVariable("${key}max", ''), 
				$EntryWidth, $row++);
		}
	}

	$Frame = $MainPaneFrame->MyLabFrame(
			-label     => 'Conduction / Valnce bands, Cut off, Secondary electron exponent',
			-labelside => 'acrosstop',
			)->pack(-anchor => 'nw');
	$row = 1;
	$this->MakeParameterConditionHeading($Frame, 0, 0);
	my @list = qw(ECBM D0CB k0Metal EVBM D0VB Ecut K0Ecut BGcut C0Exp WExp BetaExp);
	foreach my $key (@list) {
		$this->MakeParameterConditionColumn($Frame, "$key", "$key:", "%12.6g", 
			$this->{dini}->pVariable("$key", 0.0),        $this->{dini}->pVariable("${key}check", 0),
			$this->{dini}->pVariable("${key}scale", 0.1), $this->{dini}->pVariable("${key}min", ''), $this->{dini}->pVariable("${key}max", ''), 
			$EntryWidth, $row++);
	}

	$this->BuildFooter($MainPaneFrame, $EntryWidth);
	$this->UpdateParameters();
}

sub BuildLSQPane
{
	my ($this, $MainPaneFrame, $EntryWidth) = @_;
return;

	my $Frame = $MainPaneFrame->MyFrame()->pack(-anchor => 'nw', -fill => 'x');
	$this->mw()->{LSQFrame} = $this->MakeLSQPanes(
				$Frame, $EntryWidth,
				'Fitting',
				[qw(LSQMethod FittingRange FittingConditions)],
#				[qw(LSQMethod FitTo FittingRange FittingConditions)],
				['Amoeba::Simplex', 'PDL::Simplex', 'ModifiedNewton'],
				['PES'],
				['FitXMin', 'Emin:', 'FitXMax', 'Emax:', 'nSkipData', 'nSkip:'],
				['EPS', 'EPS:', 'nMaxIter', 'MaxIter:', 'nSaveSpectraInterval', 'SaveIntvl:'], 
			);
	$this->mw()->{LSQFrame}->pack(-anchor => 'nw', -expand => 'yes', -fill => 'x');
#	$this->mw()->{LSQFrame}->{FitToListBox}->SetText('alpha');

	$this->BuildFooter($MainPaneFrame, $EntryWidth);
}

sub BuildViewRangePane
{
	my ($this, $MainFrame, $EntryWidth) = @_;

	$this->SUPER::BuildViewRangePane($MainFrame, $EntryWidth,
				[
					['x'], ['x']
				],
				[
					['x'], ['x']
				]
			);
	if($this->mw()->{NoteBook}->{ViewRangePaneFrame}->{GraphFrame1ViewY0Button}) {
		$this->mw()->{NoteBook}->{ViewRangePaneFrame}->{GraphFrame1ViewY0Button}->Select();
		$this->mw()->{NoteBook}->{ViewRangePaneFrame}->{GraphFrame1ViewY0Entry}->SetText(0.0);
	}

	$this->BuildFooter($MainFrame, $EntryWidth);
}

sub BuildFooter
{
	my ($this, $MainFrame, $EntryWidth) = @_;

	my $Frame1 = $MainFrame->MyFrame()->pack(-anchor => 'nw', -fill => 'x');
#	my $ButtonFrame = $this->MakeFittingButtons($Frame1, ("Re&calc", "&Fit", "&Save"));
	my $ButtonFrame = $this->MakeFittingButtons($Frame1, ("&Plot"));
	$ButtonFrame->pack(-anchor => 'nw', -expand => 'yes', -fill => 'x');

#	$this->{RestoreScaleButton}->configure(
#		-command => sub { $this->RestoreScale(); },
#		);

#	my $Frame = $MainFrame->MyFrame()->pack(-anchor => 'nw', -fill => 'x');
#	$this->{ChooseExcitatioListBox} = $ButtonFrame->MyBrowseEntry(
#			-label      => "Excitation:",
#			-state      => "readonly",
#			-takefocus  => 1,
#			-width      => 15,
#			-Selections => ["He I(21.2eV)", "He IIalpha(40.80eV)", "He IIbeta(48.36eV)", 
#							"Ne I(16.7eV)", "Ne II(26.9eV)",       "Al Ka(1486.6eV)",     "Mg Ka(1253.6eV)",
#							"HX-PES(BL47XU, 7935.2eV)", "HX-PES(BL15XU, 5950.2eV)"],
#			-SelIndex   => 0,
#		)->pack(-side => 'left');
}

sub Plot
{
	my ($this, $ResetViewRange, $CreateGraphFrame, $AssignGraphData, $Draw) = @_;
	$this->CalPlotHfEF();
	$this->Recalc();
}

sub CalPlotHfEF
{
	my ($this) = @_;

print("Make Hf-EF data for plotting most stable charge states\n");

	my $ini  = $this->{ini};
	my $dini = $this->{dini};
	my $s    = $this->{pSemiconductorFromDFT};
	my $pDefectHash       = $ini->{pDefectHash};
	my $pDefectHashLabels = $ini->{pDefectDataLabels};
	my $pNames            = $pDefectHash->{pOrderedNames};

	my $Estep = ($dini->{Emax} - $dini->{Emin}) / ($dini->{nE} - 1);
	my $pNames = $pDefectHash->{pOrderedNames};

	for(my $i = 0 ; $i < @$pNames ; $i++) {
		my $name = $pNames->[$i];
print("  $name:\n");

		my $pInf = $s->FindTransitionEnergies(undef, $name, $dini->{Tdefect}, $dini->{Emin}, $dini->{Emax}, $dini->{IgnoreSForMinHf});
		for(my $j = 0 ; $j < @$pInf ; $j++) {
			my $p = $pInf->[$j];
			
			if(defined $p->{q}) {
				print "    EF=$p->{E}: Min q=$p->{q}  Hf=$p->{Hf}\n";
			}
			else {
				print "    Et=$p->{E} => q=$p->{qhigher}  Hf=$p->{Hf}\n";
			}
		}
	}
}

#===================================================
# データ処理
#===================================================
sub BuildOptimize
{
	my ($this, $IsPrint) = @_;
	$IsPrint = 1 if(!defined $IsPrint);

	my $ini    = $this->{ini};
	my $dini   = $this->{dini};

	my $optimize = $this->{Optimize} = new Optimize;;
	$optimize->AddParameters(
		"EF",  \$ini->{EF},
		$dini->{EFcheck}, $dini->{EFscale}, $dini->{EFmin}, $dini->{EFmax},
		sub {
			$ini->{EF} = $_[0];
		},

		"Wa",  \$ini->{Wa},
		$dini->{Wacheck}, $dini->{Wascale}, $dini->{Wamin}, $dini->{Wamax},
		sub {
			$ini->{Wa} = $_[0];
		},

		"BG",  \$ini->{BG},
		$dini->{BGcheck}, $dini->{BGscale}, $dini->{BGmin}, $dini->{BGmax},
		sub {
			$ini->{BG} = $_[0];
		},
		);

	for(my $i = 0 ; $i < $this->{ini}->{nStepBG} ; $i++) {
		my $ii = $i;
		$optimize->AddParameters(
			"EBG0$ii",  \$ini->{"EBG0$ii"},
			$dini->{"EBG0${ii}check"}, $dini->{"EBG0${ii}scale"}, $dini->{"EBG0${ii}min"}, $dini->{"EBG0${ii}max"},
			sub {
				$ini->{"EBG0$ii"} = $_[0];
			},

			"BGLeft$ii",  \$ini->{"BGLeft$ii"},
			$dini->{"BGLeft${ii}check"}, $dini->{"BGLeft${ii}scale"}, $dini->{"BGLeft${ii}min"}, $dini->{"BGLeft${ii}max"},
			sub {
				$ini->{"BGLeft$ii"} = $_[0];
			},

			"WBG$ii",  \$ini->{"WBG$ii"},
			$dini->{"WBG${ii}check"}, $dini->{"WBG${ii}scale"}, $dini->{"WBG${ii}min"}, $dini->{"WBG${ii}max"},
			sub {
				$ini->{"WBG$ii"} = $_[0];
			},
		);
	}

	$optimize->AddParameters(
			"ECBM",  \$ini->{ECBM},
			$dini->{ECBMcheck}, $dini->{ECBMscale}, $dini->{ECBMmin}, $dini->{ECBMmax},
			sub {
				$ini->{ECBM} = $_[0];
			},

			"D0CB",  \$ini->{D0CB},
			$dini->{D0CBcheck}, $dini->{D0CBscale}, $dini->{D0CBmin}, $dini->{D0CBmax},
			sub {
				$ini->{D0CB} = $_[0];
			},

			"k0Metal",  \$ini->{k0Metal},
			$dini->{k0Metalcheck}, $dini->{k0Metalscale}, $dini->{k0Metalmin}, $dini->{k0Metalmax},
			sub {
				$ini->{k0Metal} = $_[0];
			},

			"EVBM",  \$ini->{EVBM},
			$dini->{EVBMcheck}, $dini->{EVBMscale}, $dini->{EVBMmin}, $dini->{EVBMmax},
			sub {
				$ini->{EVBM} = $_[0];
			},

			"D0VB",  \$ini->{D0VB},
			$dini->{D0VBcheck}, $dini->{D0VBscale}, $dini->{D0VBmin}, $dini->{D0VBmax},
			sub {
				$ini->{D0VB} = $_[0];
			},

			"Ecut",  \$ini->{Ecut},
			$dini->{Ecutcheck}, $dini->{Ecutscale}, $dini->{Ecutmin}, $dini->{Ecutmax},
			sub {
				$ini->{Ecut} = $_[0];
			},

			"K0Ecut",  \$ini->{K0Ecut},
			$dini->{K0Ecutcheck}, $dini->{K0Ecutscale}, $dini->{K0Ecutmin}, $dini->{K0Ecutmax},
			sub {
				$ini->{K0Ecut} = $_[0];
			},

			"BGcut",  \$ini->{BGcut},
			$dini->{BGcutcheck}, $dini->{BGcutscale}, $dini->{BGcutmin}, $dini->{BGcutmax},
			sub {
				$ini->{BGcut} = $_[0];
			},

			"C0Exp",  \$ini->{C0Exp},
			$dini->{C0Expcheck}, $dini->{C0Expscale}, $dini->{C0Expmin}, $dini->{C0Expmax},
			sub {
				$ini->{C0Exp} = $_[0];
			},

			"WExp",  \$ini->{WExp},
			$dini->{WExpcheck}, $dini->{WExpscale}, $dini->{WExpmin}, $dini->{WExpmax},
			sub {
				$ini->{WExp} = $_[0];
			},

			"BetaExp",  \$ini->{BetaExp},
			$dini->{BetaExpcheck}, $dini->{BetaExpscale}, $dini->{BetaExpmin}, $dini->{BetaExpmax},
			sub {
				$ini->{BetaExp} = $_[0];
			},
		);

	for(my $i = 0 ; $i < $this->{ini}->{nGL} ; $i++) {
		my $ii = $i;
		$optimize->AddParameters(
			"GLE0$ii",  \$ini->{"GLE0$ii"},
			$dini->{"GLE0${ii}check"}, $dini->{"GLE0${ii}scale"}, $dini->{"GLE0${ii}min"}, $dini->{"GLE0${ii}max"},
			sub {
				$ini->{"GLE0$ii"} = $_[0];
			},

			"GLC0$ii",  \$ini->{"GLC0$ii"},
			$dini->{"GLC0${ii}check"}, $dini->{"GLC0${ii}scale"}, $dini->{"GLC0${ii}min"}, $dini->{"GLC0${ii}max"},
			sub {
				$ini->{"GLC0$ii"} = $_[0];
			},

			"GLWL$ii",  \$ini->{"GLWL$ii"},
			$dini->{"GLWL${ii}check"}, $dini->{"GLWL${ii}scale"}, $dini->{"GLWL${ii}min"}, $dini->{"GLWL${ii}max"},
			sub {
				$ini->{"GLWL$ii"} = $_[0];
			},

			"GLGFraction$ii",  \$ini->{"GLGFraction$ii"},
			$dini->{"GLGFraction${ii}check"}, $dini->{"GLGFraction${ii}scale"}, $dini->{"GLGFraction${ii}min"}, $dini->{"GLGFraction${ii}max"},
			sub {
				$ini->{"GLGFraction$ii"} = $_[0];
			},

			"GLGWRatio$ii",  \$ini->{"GLGWRatio$ii"},
			$dini->{"GLGWRatio${ii}check"}, $dini->{"GLGWRatio${ii}scale"}, $dini->{"GLGWRatio${ii}min"}, $dini->{"GLGWRatio${ii}max"},
			sub {
				$ini->{"GLGWRatio$ii"} = $_[0];
			},
			);
	}
}

sub Recalc
{
	my ($this) = @_;
	return if(!defined $this->{DataFile});

	my $ini = $this->{ini};

	return;


#	$ini->{AppFunction} = $this->{ChooseAppFunctionListBox}->GetText();
	my $ConductionType = $this->{ini}->{ConductionType}; #$this->{ChooseConductionTypeListBox}->GetText();
	my $IsMetal = 0;
	$IsMetal = 1 if($ConductionType eq 'Metal');

	my $X1Label   = $this->{SampleFileFrame}->{X1ListBox}->GetText();
	my $Y1Label   = $this->{SampleFileFrame}->{Y1ListBox}->GetText();
	my $XMin      = $ini->{FitXMin};
	my $XMax      = $ini->{FitXMax};
	my $nSkipData = $ini->{nSkipData};
	my $pX        = $this->{DataFile}->GetData($X1Label) if($X1Label);
	my $pY1       = $this->{DataFile}->GetData($Y1Label) if($Y1Label);

	my (@X, @Y);
	my $c = 0;
	for(my $i = 0 ; $i < @$pX ; $i++) {
		my $x = $pX->[$i];
		next if($x < $XMin or $XMax < $x);
		next if($nSkipData > 0 and $i % $nSkipData != 0);
		$X[$c] = $x;
		$Y[$c] = $pY1->[$i];
		$c++;
	}
	$this->{pCalX} = \@X;
	my ($pY, $pCB, $pVB, $pCBFD, $pVBFD, $pGLArray, $pFD, $pBG) = PES::CalTotalDOSSpectrum(\@X, $this->{ini}, $IsMetal);
	$this->{pObsY}       = \@Y;
	$this->{pCalY}       = $pY;
	$this->{pCalCB}      = $pCB;
	$this->{pCalVB}      = $pVB;
	$this->{pCalCBFD}    = $pCBFD;
	$this->{pCalVBFD}    = $pVBFD;
	$this->{pCalGLArray} = $pGLArray;
	$this->{pCalFD}      = $pFD;
	$this->{pCalBG}      = $pBG;

	$this->SUPER::RePlot();
}

sub Fit
{
	my ($this) = @_;
	return if(!defined $this->{DataFile});

	my $App    = $this->App();
	my $optics = new Optics;
	my $ini    = $this->{ini};
	$this->UpdateParameters();
	$this->BuildOptimize();

	my $Method = $this->mw()->{LSQFrame}->{LSQMethodListBox}->GetText(); #$this->{LSQMethodListBox}->GetText();
	my $optimize = $this->{Optimize};
print "Method: $Method\n";
print "nMaxIter: $ini->{nMaxIter}\n";

#	$this->{ini}->{AppFunction} = $this->{ChooseAppFunctionListBox}->GetText();
	my $ConductionType = $this->{ini}->{ConductionType}; #$this->{ChooseConductionTypeListBox}->GetText();
	my $IsMetal = 0;
	$IsMetal = 1 if($ConductionType eq 'Metal');

	my $X1Label   = $this->{SampleFileFrame}->{X1ListBox}->GetText();
	my $Y1Label   = $this->{SampleFileFrame}->{Y1ListBox}->GetText();
	my $XMin      = $ini->{FitXMin};
	my $XMax      = $ini->{FitXMax};
	my $nSkipData = $ini->{nSkipData};
	my $pX        = $this->{DataFile}->GetData($X1Label) if($X1Label);
	my $pY1       = $this->{DataFile}->GetData($Y1Label) if($Y1Label);

	my (@X, @Y);
	my $c = 0;
	for(my $i = 0 ; $i < @$pX ; $i++) {
		my $x = $pX->[$i];
		next if($x < $XMin or $XMax < $x);
		next if($nSkipData > 0 and $i % $nSkipData != 0);
		$X[$c] = $x;
		$Y[$c] = $pY1->[$i];
		$c++;
	}

#=========================================================
# 最適化の実行
#=========================================================
	$optimize->SetnS2Calculation(0);
	my ($OptVars, $MinVal) = $optimize->Optimize(
				$Method, undef, undef, undef,
				$ini->{EPS}, $ini->{nMaxIter}, $ini->{iPrintLevel},
				sub { $this->CalS2(\@X, \@Y, $IsMetal, @_); },
				undef,
				sub { Optimize::BuildDifferentialMatrixes(@_); },
				);
	print "\nOptimized at:\n";

	$optimize->RecoverParameters($OptVars);
	$optimize->PrintParameters(1, $OptVars, $MinVal, 1);

	$this->SetS2($MinVal);

	$this->UpdateParameters();
	$this->Recalc();
}

sub CalS2
{
	my ($this, $pX, $pY, $IsMetal, $pVars, $iPrintLevel) = @_;
#print "pVars=", join(',', @$pVars);

	my $optimize = $this->{Optimize};
	my $ini      = $this->{ini};
	$optimize->RecoverParameters($pVars);
	my ($pCalY) = PES::CalTotalDOSSpectrum($pX, $ini, $IsMetal);
	my $S2 = 0.0;
	my $c = 0;
	for(my $i = 0 ; $i < @$pX ; $i++) {
		my $x = $pX->[$i];
		my $d = $pCalY->[$i] - $pY->[$i];
		$S2 += $d * $d;
		$c++;
	}
	$S2 = sqrt($S2 / $c) if($c > 0);

	$optimize->IncrementnS2();
	my $nS2         = $optimize->nS2Calculation();
	my $nS2Interval = $ini->{nSaveSpectraInterval};
	print "S2[$nS2] = $S2 / ";
	$S2 += $optimize->CalPenalty(1.0e10, $pVars, 1);
	print "$S2\n";
	$optimize->PrintParameters(1, $pVars, $S2, 0);

	if($nS2Interval > 0 and $nS2 % $nS2Interval == 0) {
		$this->SetS2($S2);
		$this->Recalc();
		$this->RePlot();
	}
	$this->UpdateParameters();
	$this->mw()->update();

	return $S2;
}

sub CreateGraphFrame
{
	my ($this, $canvas, $TargetData, $DoUpdate) = @_;
	return if(!$DoUpdate and $this->GetGraphFrameArray());

	$canvas = $this->Canvas();
	my $App = $this->App();
	my $font = $App->{GraphFrameFont};
	my @font = split(/,/, $font) if($font);
	my $w = $canvas->width();
	my $h = $canvas->height();

	my $RefreshGraphScaleFrame = (defined $this->{GraphFrameArray})? 0 : 1;

	my $GraphFrameArray = $this->{GraphFrameArray} = new GraphFrameArray($this->mw());
	$GraphFrameArray->SetCanvasSize($w, $h);

	$GraphFrameArray->AddGraphFrame();
	my $GraphFrame0  = $GraphFrameArray->GetGraphFrame(0);
	my $FramePosStr0 = $App->{GraphFrame0Position};
	$GraphFrame0->SetPositionByStr($FramePosStr0);

	my $XScale0 = $GraphFrame0->GetXScale(0);
	my $YScale0 = $GraphFrame0->GetYScale(0);
	$XScale0->SetScaleStringVisible(1);
	$XScale0->SetCaptionVisible(1);

	$GraphFrame0->SetViewRange(0, 0, 1, 1);

	if($RefreshGraphScaleFrame) {
		my $EntryWidth = $this->{EntryWidth};
		$this->RefreshViewRangePane($EntryWidth);
	}
}

sub AssignGraphData
{
	my ($this, $ResetViewRange) = @_;
	$ResetViewRange = 1 if(!defined $ResetViewRange);
	return if(!defined $this->{ini}->{SampleCSVFile});
	return if(!defined $this->mw()->{NoteBook}->{ViewRangePaneFrame}->{GraphFrame1YAxisListBox});

	my $GraphFrameArray = $this->GetGraphFrameArray();
	my $GraphFrame0  = $GraphFrameArray->GetGraphFrame(0);
	$GraphFrame0->ClearAllData();

	my $X1Label = $this->{SampleFileFrame}->{X1ListBox}->GetText();
	$X1Label = 'X' if(!$X1Label);
	my $Y1Label = $this->{SampleFileFrame}->{Y1ListBox}->GetText();
	$Y1Label = 'Y1' if(!$Y1Label);
	$GraphFrame0->SetXCaption($X1Label);
	$GraphFrame0->SetYCaption($Y1Label);

	my $pX    = $this->{DataFile}->GetData($X1Label) if($X1Label);
	my $pY1   = $this->{DataFile}->GetData($Y1Label) if($Y1Label);
	my $nData = $this->{DataFile}->nData();
	if($pX) {
		$GraphFrame0->AddGraphData($pX, $pY1,
				2, "black", "", 6, "red", 0, "red", "XAutoSkip", "Energy", "${Y1Label}") if($pY1);
	}

	my $pCalX = $this->{pCalX};
	my $pCalY = $this->{pCalY};
	my $pCB      = $this->{pCalCB};
	my $pVB      = $this->{pCalVB};
	my $pCBFD    = $this->{pCalCBFD};
	my $pVBFD    = $this->{pCalVBFD};
	my $pGLArray = $this->{pCalGLArray};
	my $pFD      = $this->{pCalFD};
	my $pBG      = $this->{pCalBG};
	if($pCalX) {
		$GraphFrame0->AddGraphData($pCalX, $pCalY,
				0, "", "circle", 3, "", 1, "red", "XAutoSkip", "Energy", "FT ${Y1Label}(real)") if($pCalY);
		$GraphFrame0->AddGraphData($pCalX, $pCB,
				1, "blue", "", 3, "", 1, "red", "XAutoSkip", "Energy", "CB(cal)") if($pCB);
		$GraphFrame0->AddGraphData($pCalX, $pVB,
				1, "blue", "", 3, "", 1, "red", "XAutoSkip", "Energy", "VB(cal)") if($pVB);
		$GraphFrame0->AddGraphData($pCalX, $pCBFD,
				1, "green", "", 3, "", 1, "red", "XAutoSkip", "Energy", "CB*FD(cal)") if($pCBFD);
		$GraphFrame0->AddGraphData($pCalX, $pVBFD,
				1, "green", "", 3, "", 1, "red", "XAutoSkip", "Energy", "VB*FD(cal)") if($pVBFD);
		for(my $i = 0 ; $i < $this->{ini}->{nGL} ; $i++) {
			$GraphFrame0->AddGraphData($pCalX, $pGLArray->[$i],
					1, "blue", "", 3, "", 1, "red", "XAutoSkip", "Energy", "GL${i}(cal)") if($pGLArray->[$i]);
		}
		$GraphFrame0->AddGraphData($pCalX, $pBG,
				1, "cyan", "", 3, "", 1, "red", "XAutoSkip", "Energy", "BG(cal)") if($pBG);
	}

	$GraphFrame0->SetXScalePlotType('x');
	$GraphFrame0->SetYScalePlotType('x');
	$this->SetViewRange($ResetViewRange);
}

sub SaveParameterFile
{
	my ($this, $Option, $filepath, $name, $Frame) = @_;
	$filepath = $Frame->{PathEntry}->GetText() if($filepath eq '');

	$this->{ini}->{SampleX1}       = $this->{SampleFileFrame}->{X1ListBox}->GetText();
	$this->{ini}->{SampleY1}       = $this->{SampleFileFrame}->{Y1ListBox}->GetText();
#	$this->{ini}->{AppFunction}    = $this->{ChooseAppFunctionListBox}->GetText();
#	$this->{ini}->{ConductionType} = $this->{ChooseConductionTypeListBox}->GetText();
	$this->{ini}->{YAxisPlotType}  = $this->mw()->{NoteBook}->{ViewRangePaneFrame}->{GraphFrame1YAxisListBox}->GetText();

	if(!defined $filepath or $filepath eq '') {
		$filepath = $this->{ini}->{Sample1CSVFile};
		$filepath = $this->{ini}->{SampleCSVFile} if(!defined $filepath or $filepath eq '');
		$filepath = $this->{ini}->{SubstrateCSVFile} if(!defined $filepath or $filepath eq '');
		$filepath = 'save.prm' if(!defined $filepath or $filepath eq '');
		$filepath =~ s/\.[^\.]+$/\.prm/i;
#		$filepath =~ s/\.csv$/\.prm/i;
		$filepath = Deps::ExtractFileName($filepath);

		$filepath = $this->ChooseSaveFile($filepath, '*.prm');
		if($filepath) {
			my $ext = Deps::ExtractExtention($filepath);
			if(!defined $ext or $ext eq '') {
				$filepath = Deps::ReplaceExtension($filepath, ".prm");
			}
			$this->{ini}->{ParameterFile} = $filepath;
		}
		else {
			return;
		}
	}
	$this->{ini}->SetIniFile($filepath, undef, 1);
	$this->App()->print("\nSaveParameterFile:\n");
	$this->ComposeParameters($this->{dini}, $this->{ini});
	$this->{ini}->WriteAll();
	$this->DecomposeParameters($this->{ini}, $this->{dini});
}

sub ReadParameterFile
{
	my ($this, $filepath) = @_;
	my $ini  = $this->{ini};
	my $dini = $this->{dini};

	$this->Initialize(1, 1);
	$this->App()->print("\nRead paramter from [$filepath].\n");

	my $s = $this->{pSemiconductorFromDFT} = new SemiconductorFromDFT;

	my ($pIn, $pParameters, $pDefect) = $s->ReadInputCSV($filepath, 0);
#print "p[$pIn, $pParameters, $pDefect]\n";
#my $App = new MyApplication;
#	$s->PrintParameters($App, $pParameters, $pDefect) = @_;

	if($pParameters->{CARDir} !~ /^[\\\/]/ and $pParameters->{CARDir} !~ /:/) {
		my ($drive, $directory, $filename, $ext1, $lastdir, $filebody) = Deps::SplitFilePath($filepath);
		$pParameters->{CARDir} = Utils::MakePath("$drive$directory", $pParameters->{CARDir}, '/', 0);
		Utils::ReduceDirectory($pParameters->{CARDir}, '/');
	}

	Utils::MergeHash($ini,  $pParameters);
	Utils::MergeHash($dini, $pParameters);
	$ini->{pParameterHash}    = $pIn->{pParameterHash};
	$ini->{pDefectHash}       = $pIn->{pDefectHash};
	$ini->{pDefectDataLabels} = $pIn->{pDefectDataLabels};
foreach my $key (sort keys %$ini) {
	print "  $key: $ini->{$key}\n";
}

	$this->{ChooseActionListBox}->SetText($dini->{Action});

print("\nRead DFT Data from [$dini->{CARDir}]\n");
	my ($EF, $VBM, $CBM, $Eg, $pDOSupArray, $pDOSdnArray, $pEDOS, $pTDOS,
		 $INCARHash, $KPOINTSHash, $VCRelaxKPOINTSHash, $POTCARHash, $POSCARHash, $SCFOUTCARHash, $VCROUTCARHash)
				= $s->ReadDFTData(undef, $pParameters->{CARDir});
	if(!$EF) {
print("Error: Can not read [$dini->{CARDir}]\n");
		return;
	}
	
	$ini->{EV} = $dini->{EV} = $VBM;
	$ini->{EC} = $dini->{EC} = $CBM;

	$this->RefreshMainPane($this->{EntryWidth});
	$this->RefreshPane("Defects", $this->{EntryWidth});
	$this->RefreshViewRangePane($this->{EntryWidth});
	$this->RePlot(0, 1, 0, 0);

	return 1;
}

sub Initialize
{
	my ($this, $InitializeParameterFile, $InitializeData) = @_;

	$this->{DataFile} = new Ellipsometry;

	if($InitializeParameterFile) {
#		$this->{ini}->{SampleCSVFile} = '';
#		$this->{ini}->{FitXMin}       = '';
#		$this->{ini}->{FitXMax}       = '';
	}
	if($InitializeData) {
#		$this->{pCalX} = undef;
#		$this->{pCalY} = undef;
	}
}

sub InitializeParameters
{
	my ($this, $ini, $dini) = @_;

	return;

	$this->AddParameters($ini, $dini, "EF",   0.0, 1,    1.0,  '', '');
	$this->AddParameters($ini, $dini, "T",  300.0, 0,   10.0, 0.0, '');
	$this->AddParameters($ini, $dini, "Wa",   0.1, 1,    0.2, 0.0, '');
	$this->AddParameters($ini, $dini, "BG",   0.0, 1, 1000.0, 0.0, '');
	for(my $i = 0 ; $i < $this->{ini}->{nStepBG} ; $i++) {
		$this->AddParameters($ini, $dini, "EBG0$i",   0.0, 0,    1.0, '', '');
		$this->AddParameters($ini, $dini, "BGLeft$i", 0.0, 0, 1000.0, 0.0, '');
		$this->AddParameters($ini, $dini, "WBG$i",    0.1, 0,    1.0, 0.0, '');
	}
}

1;