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package Demeter::UI::Athena::Difference;
use strict;
use warnings;
use Wx qw( :everything );
use base 'Wx::Panel';
use Wx::Event qw(EVT_BUTTON EVT_TEXT EVT_TEXT_ENTER EVT_CHOICE EVT_CHECKBOX);
use Wx::Perl::TextValidator;
use Demeter::Diff;
use Demeter::UI::Wx::SpecialCharacters qw(:all);
use File::Basename;
use Scalar::Util qw(looks_like_number);
use vars qw($label);
$label = "Difference spectra"; # used in the Choicebox and in status bar messages to identify this tool
my $tcsize = [60,-1];
my $icon = File::Spec->catfile(dirname($INC{"Demeter/UI/Athena.pm"}), 'Athena', , 'icons', "bullseye.png");
my $bullseye = Wx::Bitmap->new($icon, wxBITMAP_TYPE_PNG);
my @forms = (qw(xmu norm der nder sec nsec)); # chi
sub new {
my ($class, $parent, $app) = @_;
my $this = $class->SUPER::new($parent, -1, wxDefaultPosition, wxDefaultSize, wxMAXIMIZE_BOX );
my $box = Wx::BoxSizer->new( wxVERTICAL);
$this->{sizer} = $box;
$this->{Diff} = Demeter::Diff->new;
$this->{updatemarked} = 1;
my $gbs = Wx::GridBagSizer->new( 5, 5 );
my $label = Wx::StaticText->new($this, -1, "Standard");
$gbs->Add($label, Wx::GBPosition->new(0,0));
$label = Wx::StaticText->new($this, -1, "Multiplier");
$gbs->Add($label, Wx::GBPosition->new(1,0));
$label = Wx::StaticText->new($this, -1, "Data");
$gbs->Add($label, Wx::GBPosition->new(2,0));
$label = Wx::StaticText->new($this, -1, "Form");
$gbs->Add($label, Wx::GBPosition->new(3,0));
$label = Wx::StaticText->new($this, -1, "Name template");
$gbs->Add($label, Wx::GBPosition->new(4,0));
$this->{standard} = Demeter::UI::Athena::GroupList -> new($this, $app, 1);
$this->{multiplier} = Wx::TextCtrl->new($this, -1, '1', wxDefaultPosition, [150,-1]);
$this->{data} = Wx::StaticText->new($this, -1, q{Group});
$this->{form} = Wx::Choice->new($this, -1, wxDefaultPosition, wxDefaultSize,
["$MU(E)", "normalized $MU(E)", "derivative $MU(E)",
"deriv. of normalized $MU(E)", "2nd derivative $MU(E)",
"2nd deriv. of normalized $MU(E)"]); # , "$CHI(k)"
$this->{template} = Wx::TextCtrl->new($this, -1, 'diff %d - %s', wxDefaultPosition, [150,-1]);
$gbs->Add($this->{standard}, Wx::GBPosition->new(0,1));
$gbs->Add($this->{multiplier}, Wx::GBPosition->new(1,1));
$gbs->Add($this->{data}, Wx::GBPosition->new(2,1));
$gbs->Add($this->{form}, Wx::GBPosition->new(3,1));
$gbs->Add($this->{template}, Wx::GBPosition->new(4,1));
$this->{form}->SetSelection(1);
EVT_CHOICE($this, $this->{form}, \&OnChoice);
EVT_TEXT($this, $this->{template}, sub{$this->{updatemarked} = 1});
$this->{template}->SetFont( Wx::Font->new( Wx::SystemSettings::GetFont(wxSYS_DEFAULT_GUI_FONT)->GetPointSize,
wxTELETYPE, wxNORMAL, wxNORMAL, 0, "" )) ;
$::app->mouseover($this->{template}, 'TOKENS: %d=data name; %s=standard name; %f=form; %m=multiplier; %n=xmin; %x=xmax; %a=area');
$this->{invert} = Wx::CheckBox->new($this, -1, 'Invert difference spectrum');
$this->{plotspectra} = Wx::CheckBox->new($this, -1, 'Plot data and standard with difference');
$this->{make_nor} = Wx::CheckBox->new($this, -1, 'Allow difference group to be renormalized');
$this->{do_integrate} = Wx::CheckBox->new($this, -1, 'Do integration');
$gbs->Add($this->{invert}, Wx::GBPosition->new(5,0), Wx::GBSpan->new(1,2));
$gbs->Add($this->{plotspectra}, Wx::GBPosition->new(6,0), Wx::GBSpan->new(1,2));
$gbs->Add($this->{make_nor}, Wx::GBPosition->new(7,0), Wx::GBSpan->new(1,2));
$gbs->Add($this->{do_integrate}, Wx::GBPosition->new(8,0), Wx::GBSpan->new(1,2));
$this->{invert}->SetValue(0);
$this->{plotspectra}->SetValue(1);
$this->{make_nor}->SetValue(0);
$this->{do_integrate}->SetValue(1);
EVT_CHECKBOX($this, $this->{invert}, sub{$this->{updatemarked} = 1});
EVT_CHECKBOX($this, $this->{make_nor}, sub{$this->{updatemarked} = 1});
EVT_CHECKBOX($this, $this->{do_integrate}, \&ToggleIntegration);
$box -> Add($gbs, 0, wxALIGN_CENTER_HORIZONTAL|wxALL, 10);
my $hbox = Wx::BoxSizer->new( wxHORIZONTAL );
$this->{xmin_label} = Wx::StaticText->new($this, -1, 'Integration range');
$hbox->Add($this->{xmin_label}, 0, wxLEFT|wxRIGHT|wxALIGN_CENTER, 5);
$this->{xmin} = Wx::TextCtrl->new($this, -1, $this->{Diff}->xmin, wxDefaultPosition, wxDefaultSize, wxTE_PROCESS_ENTER);
$hbox->Add($this->{xmin}, 0, wxLEFT|wxRIGHT|wxALIGN_CENTER, 5);
$this->{xmin_pluck} = Wx::BitmapButton -> new($this, -1, $bullseye);
$hbox->Add($this->{xmin_pluck}, 0, wxLEFT|wxRIGHT|wxALIGN_CENTER, 1);
$this->{to} = Wx::StaticText->new($this, -1, 'to');
$hbox->Add($this->{to}, 0, wxLEFT|wxRIGHT|wxALIGN_CENTER, 5);
$this->{xmax} = Wx::TextCtrl->new($this, -1, $this->{Diff}->xmax, wxDefaultPosition, wxDefaultSize, wxTE_PROCESS_ENTER);
$hbox->Add($this->{xmax}, 0, wxLEFT|wxRIGHT|wxALIGN_CENTER, 5);
$this->{xmax_pluck} = Wx::BitmapButton -> new($this, -1, $bullseye);
$hbox->Add($this->{xmax_pluck}, 0, wxLEFT|wxRIGHT|wxALIGN_CENTER, 1);
$this->{multiplier} -> SetValidator( Wx::Perl::TextValidator->new( qr([0-9.]) ) );
$this->{xmin} -> SetValidator( Wx::Perl::TextValidator->new( qr([-0-9.]) ) );
$this->{xmax} -> SetValidator( Wx::Perl::TextValidator->new( qr([-0-9.]) ) );
EVT_BUTTON($this, $this->{xmin_pluck}, sub{Pluck(@_, $app, 'xmin')});
EVT_BUTTON($this, $this->{xmax_pluck}, sub{Pluck(@_, $app, 'xmax')});
EVT_TEXT($this, $this->{xmin}, sub{$this->{updatemarked} = 1});
EVT_TEXT($this, $this->{xmax}, sub{$this->{updatemarked} = 1});
EVT_TEXT_ENTER($this, $this->{xmin}, sub{$this->plot});
EVT_TEXT_ENTER($this, $this->{xmax}, sub{$this->plot});
$box -> Add($hbox, 0, wxALIGN_CENTER_HORIZONTAL|wxALL, 5);
$hbox = Wx::BoxSizer->new( wxHORIZONTAL );
$this->{area_label} = Wx::StaticText->new($this, -1, 'Integrated area');
$hbox->Add($this->{area_label}, 0, wxLEFT|wxRIGHT|wxALIGN_CENTER, 5);
$this->{area} = Wx::TextCtrl->new($this, -1, 0, wxDefaultPosition, wxDefaultSize, wxTE_READONLY);
$hbox->Add($this->{area}, 0, wxLEFT|wxRIGHT|wxALIGN_CENTER, 5);
$box -> Add($hbox, 0, wxALIGN_CENTER_HORIZONTAL|wxALL, 5);
$this->{plot} = Wx::Button->new($this, -1, 'Plot difference spectrum', wxDefaultPosition, $tcsize);
$this->{plotk} = Wx::Button->new($this, -1, 'Plot difference spectrum in k', wxDefaultPosition, $tcsize);
$this->{make} = Wx::Button->new($this, -1, 'Make difference group', wxDefaultPosition, $tcsize);
$this->{marked} = Wx::Button->new($this, -1, 'Plot difference spectra for all marked groups', wxDefaultPosition, $tcsize);
$this->{markedareas} = Wx::Button->new($this, -1, 'Plot integrated areas from all marked groups', wxDefaultPosition, $tcsize);
$this->{markedmake} = Wx::Button->new($this, -1, 'Make difference groups from all marked groups', wxDefaultPosition, $tcsize);
$box -> Add($this->{$_}, 0, wxGROW|wxALL, 2) foreach (qw(plot plotk make));
$box -> Add(1,15,0);
$box -> Add($this->{$_}, 0, wxGROW|wxALL, 2) foreach (qw(marked markedareas markedmake));
$this->{$_}->Enable(0) foreach (qw(make marked markedareas markedmake));
EVT_BUTTON($this, $this->{plot}, sub{$this->plot('E')});
EVT_BUTTON($this, $this->{plotk}, sub{$this->plot('k')});
EVT_BUTTON($this, $this->{make}, sub{$this->make});
EVT_BUTTON($this, $this->{marked}, sub{$this->marked_spectra});
EVT_BUTTON($this, $this->{markedareas}, sub{$this->marked_areas});
EVT_BUTTON($this, $this->{markedmake}, sub{$this->marked_make});
$box->Add(1,1,1); # spacer
$this->{document} = Wx::Button->new($this, -1, 'Document section: difference spectra');
$box -> Add($this->{document}, 0, wxGROW|wxALL, 2);
EVT_BUTTON($this, $this->{document}, sub{ $app->document("analysis.diff")});
$this->SetSizerAndFit($box);
return $this;
};
## deprecated?
sub pull_values {
my ($this, $data) = @_;
1;
};
## this subroutine fills the controls when an item is selected from the Group list
sub push_values {
my ($this, $data) = @_;
$this->{data} -> SetLabel($data->name);
my $count = 0;
foreach my $i (0 .. $::app->{main}->{list}->GetCount - 1) {
my $data = $::app->{main}->{list}->GetIndexedData($i);
++$count if $data->datatype ne 'chi';
};
$this->Enable(1);
if ($count < 2) {
$this->Enable(0);
return;
};
if ($data->datatype eq 'chi') {
$this->Enable(0);
return;
};
my $was = $this->{standard}->GetStringSelection;
$this->{standard}->fill($::app, 1, 1);
if ((not $was) or ($was eq 'None')) {
$this->{standard}->SetSelection(0);
} else {
$this->{standard}->SetStringSelection($was);
$this->{standard}->SetSelection(0) if not scalar $this->{standard}->GetSelection;
};
#($was eq 'None') ? $this->{standard}->SetSelection(0) : $this->{standard}->SetStringSelection($was);
#$this->{standard}->SetSelection(0) if not defined($this->{standard}->GetClientData(scalar $this->{standard}->GetSelection));
$data->po->start_plot;
$data->po->set(emin=>$this->{Diff}->xmin-10, emax=>$this->{Diff}->xmax+20);
$data->po->set(e_mu=>1, e_markers=>0, e_bkg=>0, e_pre=>0, e_post=>0, e_norm=>1, e_der=>0, e_sec=>0, e_i0=>0, e_signal=>0, e_smooth=>0);
$this->{make}->Enable(0);
my $save = $this->{plotspectra}->GetValue;
$this->{plotspectra}->SetValue(1);
$this->plot if not $::app->{plotting};
$this->{plotspectra}->SetValue($save);
};
## this subroutine sets the enabled/frozen state of the controls
sub mode {
my ($this, $data, $enabled, $frozen) = @_;
1;
};
sub ToggleIntegration {
my ($this, $event) = @_;
my $onoff = $this->{do_integrate}->GetValue;
foreach my $w (qw(xmin_label xmin xmin_pluck to xmax xmax_pluck area area_label markedareas)) {
$this->{$w}->Enable($onoff);
};
$this->{Diff}->do_integrate($onoff);
$this->{updatemarked} = 1;
};
sub setup {
my ($this, $data, $diff) = @_;
$diff ||= $this->{Diff};
foreach my $att (qw(xmin xmax invert plotspectra multiplier)) {
next if (($att =~ m{\A(?:xm|mu)}) and (not looks_like_number($this->{$att}->GetValue)));
$diff->$att($this->{$att}->GetValue);
};
my $form = $forms[$this->{form}->GetSelection];
$diff->data($data);
$diff->space($form);
$diff->standard($this->{standard}->GetClientData(scalar $this->{standard}->GetSelection));
$diff->name_template($this->{template}->GetValue);
$diff->diff;
Demeter->po->set(emin=>$diff->xmin-20, emax=>$diff->xmax+30, space=>'E');
Demeter->po->set(e_mu=>1, e_markers=>1, e_bkg=>0, e_pre=>0, e_post=>0, e_i0=>0, e_signal=>0, e_smooth=>0);
if ($this->{form}->GetSelection == 0) { # mu(E)
Demeter->po->set(e_norm=>0, e_der=>0, e_sec=>0,);
} elsif ($this->{form}->GetSelection == 1) { # norm(E)
Demeter->po->set(e_norm=>1, e_der=>0, e_sec=>0,);
} elsif ($this->{form}->GetSelection == 2) { # deriv(E)
Demeter->po->set(e_norm=>0, e_der=>1, e_sec=>0,);
} elsif ($this->{form}->GetSelection == 3) { # deriv(norm(E))
Demeter->po->set(e_norm=>1, e_der=>1, e_sec=>0,);
} elsif ($this->{form}->GetSelection == 4) { # sec(E)
Demeter->po->set(e_norm=>0, e_der=>0, e_sec=>1,);
} elsif ($this->{form}->GetSelection == 5) { # sec(norm(E))
Demeter->po->set(e_norm=>1, e_der=>0, e_sec=>1,);
};
};
sub plot {
my ($this, $space) = @_;
$this->setup($::app->current_data);
$this->{area}->SetValue(sprintf("%.5f",$this->{Diff}->area));
Demeter->po->start_plot;
$this->{Diff}->is_nor(not $this->{make_nor}->GetValue);
$this->{Diff}->plot($space);
$::app->{lastplot} = [$space, 'single'];
$this->{$_}->Enable(1) foreach (qw(make marked markedareas markedmake));
$::app->heap_check(0);
};
sub OnChoice {
my ($this, $event) = @_;
$this->plot;
$this->{make_nor}->SetValue($this->{form}->GetSelection == 0);
};
sub make {
my ($this, $diff, $at_end) = @_;
$diff ||= $this->{Diff};
$at_end ||= 0;
$diff->name_template($this->{template}->GetValue);
$diff->is_nor(not $this->{make_nor}->GetValue);
$diff->datatype('xanes');
$diff->datatype('xmu') if ($this->{form}->GetSelection == 0);
my $data = $diff->make_group;
my $index = $::app->current_index;
if ($at_end) {
$::app->{main}->{list}->AddData($data->name, $data);
} elsif ($index == $::app->{main}->{list}->GetCount-1) {
$::app->{main}->{list}->AddData($data->name, $data);
} else {
$::app->{main}->{list}->InsertData($data->name, $index+1, $data);
};
$::app->{main}->status("Made new difference group, ".$data->name);
$::app->modified(1);
$::app->heap_check(0);
$data->update_norm(1);
};
sub Pluck {
my ($this, $event, $app, $which) = @_;
my $on_screen = lc($app->{lastplot}->[0]);
if ($on_screen ne 'e') {
$app->{main}->status("Cannot pluck for energy from a $on_screen plot.");
return;
};
my ($ok, $x, $y) = $app->cursor;
$app->{main}->status("Failed to pluck cursor value."), return if not $ok;
my $data = $app->current_data;
my $plucked = sprintf("%.3f", $x - $data->bkg_e0);
$this->{$which}->SetValue($plucked);
$this->plot;
$app->{main}->status("Plucked $plucked for $which");
};
sub marked {
my ($this) = @_;
my $save = $this->{Diff};
my @all = ();
foreach my $i (0 .. $::app->{main}->{list}->GetCount-1) {
next if (not $::app->{main}->{list}->IsChecked($i));
my $data = $::app->{main}->{list}->GetIndexedData($i);
## make sure that the Standard is not in the list of marked groups...
next if ($this->{standard}->GetClientData(scalar $this->{standard}->GetSelection)->group eq $data->group);
$::app->{main}->status("Computing difference from ".$data->name);
my $new = Demeter::Diff->new;
$new->invert($save->invert);
#$this->{Diff} = $new;
$this->setup($data, $new);
push @all, $new;
};
#$this->{Diff} = $save;
$this->{updatemarked} = 0;
$this->{cachemarked} = \@all;
return @all;
};
sub marked_spectra {
my ($this) = @_;
my $busy = Wx::BusyCursor->new();
my @all = ($this->{updatemarked}) ? $this->marked : @{$this->{cachemarked}};
Demeter->po->start_plot;
Demeter->po->title("Sequence of difference spectra");
foreach my $d (@all) {
$d->plotspectra(0);
$d->plotindicators(0);
$d->name($d->data->name);
$d->plot;
};
$::app->{main}->status("Plotted sequence of difference spectra");
undef $busy;
};
sub marked_areas {
my ($this) = @_;
my $busy = Wx::BusyCursor->new();
my @all = ($this->{updatemarked}) ? $this->marked : @{$this->{cachemarked}};
Demeter->po->start_plot;
Demeter->po->title("Sequence of difference spectra");
my $temp = Demeter->po->tempfile;
open(my $O, '>', $temp);
foreach my $i (0 .. $#all) {
printf $O "%d %.9f\n", $i+1, $all[$i]->area;
};
close $O;
Demeter->chart('plot', 'plot_file', {file=>$temp, xmin=>1, xmax=>$#all+1, param=>'integrated area',
showy=>0, xlabel=>'data group', linetype=>'linespoints', title=>'areas'});
$::app->{main}->status("Plotted sequence of difference spectra");
undef $busy;
};
sub marked_make {
my ($this) = @_;
my $busy = Wx::BusyCursor->new();
my @all = ($this->{updatemarked}) ? $this->marked : @{$this->{cachemarked}};
foreach my $d (@all) {
$this->make($d, 1);
};
$::app->{main}->status("Made difference groups from all marked groups");
undef $busy;
};
1;
=head1 NAME
Demeter::UI::Athena::Difference - A difference spectrum tool for Athena
=head1 VERSION
This documentation refers to Demeter version 0.9.26.
=head1 SYNOPSIS
This module provides a tool for computing difference spectra from
normalized mu(E) data, including the calculation of integrated area
under a portion of the difference spectrum.
=head1 CONFIGURATION
=head1 DEPENDENCIES
Demeter's dependencies are in the F<Build.PL> file.
=head1 BUGS AND LIMITATIONS
=over 4
=item *
plucking
=item *
Marked groups functionality
=back
Please report problems to the Ifeffit Mailing List
(L<http://cars9.uchicago.edu/mailman/listinfo/ifeffit/>)
Patches are welcome.
=head1 AUTHOR
Bruce Ravel, L<http://bruceravel.github.io/home>
L<http://bruceravel.github.io/demeter/>
=head1 LICENCE AND COPYRIGHT
Copyright (c) 2006-2019 Bruce Ravel (L<http://bruceravel.github.io/home>). All rights reserved.
This module is free software; you can redistribute it and/or
modify it under the same terms as Perl itself. See L<perlgpl>.
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.
=cut
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