250 lines
8.1 KiB
C++
250 lines
8.1 KiB
C++
/* ----------------------------------------------------------------------
|
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
https://www.lammps.org/, Sandia National Laboratories
|
|
LAMMPS development team: developers@lammps.org
|
|
|
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
certain rights in this software. This software is distributed under
|
|
the GNU General Public License.
|
|
|
|
See the README file in the top-level LAMMPS directory.
|
|
------------------------------------------------------------------------- */
|
|
|
|
#include "chartviewer.h"
|
|
|
|
#include <QHBoxLayout>
|
|
#include <QLineSeries>
|
|
#include <QSettings>
|
|
#include <QSpacerItem>
|
|
#include <QVBoxLayout>
|
|
|
|
using namespace QtCharts;
|
|
|
|
ChartWindow::ChartWindow(const QString &_filename, QWidget *parent) :
|
|
QWidget(parent), menu(new QMenuBar), file(new QMenu("&File")), filename(_filename)
|
|
{
|
|
auto *top = new QHBoxLayout;
|
|
menu->addMenu(file);
|
|
menu->setSizePolicy(QSizePolicy::Minimum, QSizePolicy::Preferred);
|
|
|
|
columns = new QComboBox;
|
|
top->addWidget(menu);
|
|
top->addSpacerItem(new QSpacerItem(1, 1, QSizePolicy::Expanding, QSizePolicy::Minimum));
|
|
top->addWidget(new QLabel("Select data:"));
|
|
top->addWidget(columns);
|
|
saveAsAct = file->addAction("&Save Graph As...", this, &ChartWindow::saveAs);
|
|
saveAsAct->setIcon(QIcon(":/icons/document-save-as.png"));
|
|
exportCsvAct = file->addAction("&Export data to CSV...", this, &ChartWindow::exportCsv);
|
|
exportCsvAct->setIcon(QIcon(":/icons/application-calc.png"));
|
|
exportDatAct = file->addAction("Export data to &Gnuplot...", this, &ChartWindow::exportDat);
|
|
exportDatAct->setIcon(QIcon(":/icons/application-plot.png"));
|
|
file->addSeparator();
|
|
closeAct = file->addAction("&Close", this, &QWidget::close);
|
|
closeAct->setIcon(QIcon(":/icons/window-close.png"));
|
|
auto *layout = new QVBoxLayout;
|
|
layout->addLayout(top);
|
|
setLayout(layout);
|
|
|
|
connect(columns, SIGNAL(currentIndexChanged(int)), this, SLOT(change_chart(int)));
|
|
QSettings settings;
|
|
resize(settings.value("chartx", 500).toInt(), settings.value("charty", 320).toInt());
|
|
}
|
|
|
|
int ChartWindow::get_step() const
|
|
{
|
|
if (charts.size() > 0) {
|
|
auto *v = charts[0];
|
|
return (int)v->get_step(v->get_count() - 1);
|
|
} else {
|
|
return -1;
|
|
}
|
|
}
|
|
|
|
void ChartWindow::reset_charts()
|
|
{
|
|
while (layout()->count() > 1) {
|
|
auto *item = layout()->takeAt(1);
|
|
if (item) {
|
|
layout()->removeItem(item);
|
|
delete item->widget();
|
|
delete item;
|
|
}
|
|
}
|
|
charts.clear();
|
|
columns->clear();
|
|
}
|
|
|
|
void ChartWindow::add_chart(const QString &title, int index)
|
|
{
|
|
auto *chart = new ChartViewer(title, index);
|
|
layout()->addWidget(chart);
|
|
columns->addItem(title, index);
|
|
columns->show();
|
|
// hide all but the first chart added
|
|
if (charts.size() > 0) chart->hide();
|
|
charts.append(chart);
|
|
}
|
|
|
|
void ChartWindow::add_data(int step, double data, int index)
|
|
{
|
|
for (auto &c : charts)
|
|
if (c->get_index() == index) c->add_data(step, data);
|
|
}
|
|
|
|
void ChartWindow::saveAs()
|
|
{
|
|
if (charts.empty()) return;
|
|
QString defaultname = filename + "." + columns->currentText() + ".png";
|
|
if (filename.isEmpty()) defaultname = columns->currentText() + ".png";
|
|
QString fileName = QFileDialog::getSaveFileName(this, "Save Chart as Image", defaultname,
|
|
"Image Files (*.jpg *.png *.bmp *.ppm)");
|
|
if (!fileName.isEmpty()) {
|
|
int choice = columns->currentData().toInt();
|
|
for (auto &c : charts)
|
|
if (choice == c->get_index()) c->grab().save(fileName);
|
|
}
|
|
}
|
|
|
|
void ChartWindow::exportDat()
|
|
{
|
|
if (charts.empty()) return;
|
|
QString defaultname = filename + ".dat";
|
|
if (filename.isEmpty()) defaultname = "lammpsdata.dat";
|
|
QString fileName = QFileDialog::getSaveFileName(this, "Save Chart as Gnuplot data", defaultname,
|
|
"Image Files (*.dat)");
|
|
if (!fileName.isEmpty()) {
|
|
QFile file(fileName);
|
|
if (file.open(QIODevice::WriteOnly | QIODevice::Text)) {
|
|
QTextStream out(&file);
|
|
constexpr int fw = 16;
|
|
out.setFieldAlignment(QTextStream::AlignRight);
|
|
out.setRealNumberPrecision(8);
|
|
|
|
out << "# Thermodynamic data from " << filename << "\n";
|
|
out << "# Step";
|
|
for (auto &c : charts)
|
|
out << qSetFieldWidth(0) << ' ' << qSetFieldWidth(fw) << c->get_title();
|
|
out << qSetFieldWidth(0) << '\n';
|
|
|
|
int lines = charts[0]->get_count();
|
|
for (int i = 0; i < lines; ++i) {
|
|
// timestep
|
|
out << qSetFieldWidth(0) << ' ' << qSetFieldWidth(fw) << charts[0]->get_step(i);
|
|
for (auto &c : charts)
|
|
out << qSetFieldWidth(0) << ' ' << qSetFieldWidth(fw) << c->get_data(i);
|
|
out << qSetFieldWidth(0) << '\n';
|
|
}
|
|
file.close();
|
|
}
|
|
}
|
|
}
|
|
|
|
void ChartWindow::exportCsv()
|
|
{
|
|
if (charts.empty()) return;
|
|
QString defaultname = filename + ".csv";
|
|
if (filename.isEmpty()) defaultname = "lammpsdata.csv";
|
|
QString fileName = QFileDialog::getSaveFileName(this, "Save Chart as CSV data", defaultname,
|
|
"Image Files (*.csv)");
|
|
if (!fileName.isEmpty()) {
|
|
QFile file(fileName);
|
|
if (file.open(QIODevice::WriteOnly | QIODevice::Text)) {
|
|
|
|
file.write("Step");
|
|
for (auto &c : charts) {
|
|
file.write(",");
|
|
file.write(c->get_title());
|
|
}
|
|
file.write("\n");
|
|
|
|
int lines = charts[0]->get_count();
|
|
for (int i = 0; i < lines; ++i) {
|
|
// timestep
|
|
file.write(QString::number(charts[0]->get_step(i)).toLocal8Bit());
|
|
for (auto &c : charts) {
|
|
file.write(",");
|
|
file.write(QString::number(c->get_data(i)).toLocal8Bit());
|
|
}
|
|
file.write("\n");
|
|
}
|
|
file.close();
|
|
}
|
|
}
|
|
}
|
|
|
|
void ChartWindow::change_chart(int)
|
|
{
|
|
int choice = columns->currentData().toInt();
|
|
for (auto &c : charts) {
|
|
if (choice == c->get_index())
|
|
c->show();
|
|
else
|
|
c->hide();
|
|
}
|
|
}
|
|
|
|
void ChartWindow::closeEvent(QCloseEvent *event)
|
|
{
|
|
QSettings settings;
|
|
if (!isMaximized()) {
|
|
settings.setValue("chartx", width());
|
|
settings.setValue("charty", height());
|
|
}
|
|
QWidget::closeEvent(event);
|
|
}
|
|
|
|
/* -------------------------------------------------------------------- */
|
|
|
|
ChartViewer::ChartViewer(const QString &title, int _index, QWidget *parent) :
|
|
QChartView(parent), last_step(-1), index(_index), chart(new QChart), series(new QLineSeries),
|
|
xaxis(new QValueAxis), yaxis(new QValueAxis)
|
|
{
|
|
chart->legend()->hide();
|
|
chart->addAxis(xaxis, Qt::AlignBottom);
|
|
chart->addAxis(yaxis, Qt::AlignLeft);
|
|
chart->addSeries(series);
|
|
series->attachAxis(xaxis);
|
|
series->attachAxis(yaxis);
|
|
xaxis->setTitleText("Time step");
|
|
xaxis->setTickCount(5);
|
|
xaxis->setLabelFormat("%d");
|
|
yaxis->setTickCount(5);
|
|
xaxis->setMinorTickCount(5);
|
|
yaxis->setMinorTickCount(5);
|
|
yaxis->setTitleText(title);
|
|
series->setName(title);
|
|
|
|
setRenderHint(QPainter::Antialiasing);
|
|
setChart(chart);
|
|
setRubberBand(QChartView::RectangleRubberBand);
|
|
}
|
|
|
|
/* -------------------------------------------------------------------- */
|
|
|
|
void ChartViewer::add_data(int step, double data)
|
|
{
|
|
if (last_step < step) {
|
|
last_step = step;
|
|
series->append(step, data);
|
|
auto points = series->pointsVector();
|
|
|
|
qreal xmin = 1.0e100;
|
|
qreal xmax = -1.0e100;
|
|
qreal ymin = 1.0e100;
|
|
qreal ymax = -1.0e100;
|
|
for (auto &p : points) {
|
|
xmin = qMin(xmin, p.x());
|
|
xmax = qMax(xmax, p.x());
|
|
ymin = qMin(ymin, p.y());
|
|
ymax = qMax(ymax, p.y());
|
|
}
|
|
xaxis->setRange(xmin, xmax);
|
|
yaxis->setRange(ymin, ymax);
|
|
}
|
|
}
|
|
|
|
// Local Variables:
|
|
// c-basic-offset: 4
|
|
// End:
|