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#include <qwidget.h>
#include <qlabel.h>
#include <qlineedit.h>
#include <qpushbutton.h>
#include <qdialog.h>
#include <qcolor.h>
#include <qfont.h>
#include <qnamespace.h>
#include <qlayout.h>
#include <iostream>
using std::cerr;
using std::endl;
#include "tool_1h_nmr.h"
#include "render2d.h"
#include "helpwindow.h"
#include "defs.h"
// defined in main.cpp
//extern QString RingDir;
Tool_1HNMR_Dialog::Tool_1HNMR_Dialog(QWidget *parent, QString name) :
ToolDialog(parent, name)
{
setCaption( tr("1H NMR spectrum") );
helpfile = "spectra.html";
setBackgroundColor(lightGray);
QGridLayout *mygrid;
mygrid = new QGridLayout(this,3,2,5);
ngw = new NewGraphWidget( this );
ngw->setDataType(DATA_1HNMR);
mygrid->addMultiCellWidget(ngw,0,0,0,1);
peaktext = new QTextEdit( this, "peak list" );
peaktext->setReadOnly(true);
mygrid->addMultiCellWidget(peaktext,1,1,0,1);
QPushButton *qhelp = new QPushButton( tr("Help"), this);
qhelp->setPalette(QPalette(lightGray));
mygrid->addWidget(qhelp,2,0);
connect(qhelp, SIGNAL(clicked()), SLOT(SendHelp()));
QPushButton *qclose = new QPushButton( tr("Close"), this);
qclose->setPalette(QPalette(lightGray));
mygrid->addWidget(qclose,2,1);
connect(qclose, SIGNAL(clicked()), SLOT(accept()));
}
void Tool_1HNMR_Dialog::process() {
this_mol->Calc1HNMR(false);
peaklist = this_mol->peaklist;
std::cerr << "got peak list" << endl;
if (product_mol == 0) {
for (tmp_peak = peaklist.first(); tmp_peak != 0;
tmp_peak = peaklist.next() ) {
ngw->AddPeak(tmp_peak, QColor(0,0,0) );
peaktext->append(tmp_peak->comment);
//peaktext->append("\n");
}
return;
}
peaktext->setColor( QColor(255,0,0) );
peaktext->insert( tr("Peaks of reactant:\n") );
for (tmp_peak = peaklist.first(); tmp_peak != 0;
tmp_peak = peaklist.next() ) {
ngw->AddPeak(tmp_peak, QColor(255,0,0) );
peaktext->insert(tmp_peak->comment);
peaktext->insert("\n");
}
product_mol->Calc1HNMR(false);
peaklist.clear();
peaklist = product_mol->peaklist;
peaktext->setColor( QColor(0,0,255) );
peaktext->insert( tr("Peaks of product:\n") );
for (tmp_peak = peaklist.first(); tmp_peak != 0;
tmp_peak = peaklist.next() ) {
ngw->AddPeak(tmp_peak, QColor(0,0,255) );
peaktext->insert(tmp_peak->comment);
peaktext->insert("\n");
}
}
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