400 lines
13 KiB
C++
400 lines
13 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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LAMMPS development team: developers@lammps.org
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "chartviewer.h"
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#include "lammpsgui.h"
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#include <QAction>
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#include <QApplication>
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#include <QChart>
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#include <QCloseEvent>
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#include <QComboBox>
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#include <QEvent>
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#include <QFileDialog>
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#include <QHBoxLayout>
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#include <QKeySequence>
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#include <QLabel>
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#include <QLayout>
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#include <QLineSeries>
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#include <QMenu>
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#include <QMenuBar>
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#include <QPushButton>
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#include <QSettings>
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#include <QSpacerItem>
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#include <QTextStream>
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#include <QValueAxis>
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#include <QVariant>
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#include <QVBoxLayout>
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#include <cmath>
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using namespace QtCharts;
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ChartWindow::ChartWindow(const QString &_filename, QWidget *parent) :
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QWidget(parent), menu(new QMenuBar), file(new QMenu("&File")),
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saveAsAct(nullptr), exportCsvAct(nullptr), exportDatAct(nullptr), exportYamlAct(nullptr),
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closeAct(nullptr), stopAct(nullptr), quitAct(nullptr), filename(_filename)
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{
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auto *top = new QHBoxLayout;
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menu->addMenu(file);
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menu->setSizePolicy(QSizePolicy::Minimum, QSizePolicy::Preferred);
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// workaround for incorrect highlight bug on macOS
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auto *dummy = new QPushButton(QIcon(), "");
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dummy->hide();
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auto *normal = new QPushButton(QIcon(":/icons/gtk-zoom-fit.png"), "");
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normal->setToolTip("Reset zoom to normal");
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columns = new QComboBox;
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top->addWidget(menu);
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top->addSpacerItem(new QSpacerItem(1, 1, QSizePolicy::Expanding, QSizePolicy::Minimum));
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top->addWidget(dummy);
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top->addWidget(normal);
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top->addWidget(new QLabel("Select data:"));
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top->addWidget(columns);
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saveAsAct = file->addAction("&Save Graph As...", this, &ChartWindow::saveAs);
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saveAsAct->setIcon(QIcon(":/icons/document-save-as.png"));
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exportCsvAct = file->addAction("&Export data to CSV...", this, &ChartWindow::exportCsv);
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exportCsvAct->setIcon(QIcon(":/icons/application-calc.png"));
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exportDatAct = file->addAction("Export data to &Gnuplot...", this, &ChartWindow::exportDat);
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exportDatAct->setIcon(QIcon(":/icons/application-plot.png"));
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exportYamlAct = file->addAction("Export data to &YAML...", this, &ChartWindow::exportYaml);
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exportYamlAct->setIcon(QIcon(":/icons/yaml-file-icon.png"));
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file->addSeparator();
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stopAct = file->addAction("Stop &Run", this, &ChartWindow::stop_run);
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stopAct->setIcon(QIcon(":/icons/process-stop.png"));
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stopAct->setShortcut(QKeySequence(Qt::CTRL | Qt::Key_Slash));
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closeAct = file->addAction("&Close", this, &QWidget::close);
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closeAct->setIcon(QIcon(":/icons/window-close.png"));
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closeAct->setShortcut(QKeySequence(Qt::CTRL | Qt::Key_W));
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quitAct = file->addAction("&Quit", this, &ChartWindow::quit);
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quitAct->setIcon(QIcon(":/icons/application-exit.png"));
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quitAct->setShortcut(QKeySequence(Qt::CTRL | Qt::Key_Q));
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auto *layout = new QVBoxLayout;
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layout->addLayout(top);
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setLayout(layout);
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connect(normal, &QPushButton::released, this, &ChartWindow::reset_zoom);
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connect(columns, SIGNAL(currentIndexChanged(int)), this, SLOT(change_chart(int)));
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installEventFilter(this);
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QSettings settings;
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resize(settings.value("chartx", 500).toInt(), settings.value("charty", 320).toInt());
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}
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int ChartWindow::get_step() const
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{
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if (charts.size() > 0) {
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auto *v = charts[0];
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if (v)
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return (int)v->get_step(v->get_count() - 1);
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else
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return -1;
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} else {
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return -1;
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}
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}
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void ChartWindow::reset_charts()
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{
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while (layout()->count() > 1) {
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auto *item = layout()->takeAt(1);
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if (item) {
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layout()->removeItem(item);
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delete item->widget();
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delete item;
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}
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}
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charts.clear();
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columns->clear();
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}
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void ChartWindow::add_chart(const QString &title, int index)
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{
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auto *chart = new ChartViewer(title, index);
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layout()->addWidget(chart);
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columns->addItem(title, index);
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columns->show();
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// hide all but the first chart added
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if (charts.size() > 0) chart->hide();
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charts.append(chart);
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}
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void ChartWindow::add_data(int step, double data, int index)
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{
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for (auto &c : charts)
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if (c->get_index() == index) c->add_data(step, data);
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}
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void ChartWindow::quit()
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{
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LammpsGui *main = nullptr;
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for (QWidget *widget : QApplication::topLevelWidgets())
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if (widget->objectName() == "LammpsGui") main = dynamic_cast<LammpsGui *>(widget);
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if (main) main->quit();
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}
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void ChartWindow::reset_zoom()
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{
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int choice = columns->currentData().toInt();
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if ((choice >= 0) && (choice < charts.size())) charts[choice]->reset_zoom();
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}
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void ChartWindow::stop_run()
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{
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LammpsGui *main = nullptr;
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for (QWidget *widget : QApplication::topLevelWidgets())
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if (widget->objectName() == "LammpsGui") main = dynamic_cast<LammpsGui *>(widget);
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if (main) main->stop_run();
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}
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void ChartWindow::saveAs()
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{
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if (charts.empty()) return;
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QString defaultname = filename + "." + columns->currentText() + ".png";
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if (filename.isEmpty()) defaultname = columns->currentText() + ".png";
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QString fileName = QFileDialog::getSaveFileName(this, "Save Chart as Image", defaultname,
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"Image Files (*.jpg *.png *.bmp *.ppm)");
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if (!fileName.isEmpty()) {
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int choice = columns->currentData().toInt();
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for (auto &c : charts)
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if (choice == c->get_index()) c->grab().save(fileName);
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}
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}
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void ChartWindow::exportDat()
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{
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if (charts.empty()) return;
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QString defaultname = filename + ".dat";
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if (filename.isEmpty()) defaultname = "lammpsdata.dat";
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QString fileName = QFileDialog::getSaveFileName(this, "Save Chart as Gnuplot data", defaultname,
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"Image Files (*.dat)");
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if (!fileName.isEmpty()) {
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QFile file(fileName);
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if (file.open(QIODevice::WriteOnly | QIODevice::Text)) {
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QTextStream out(&file);
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constexpr int fw = 16;
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out.setFieldAlignment(QTextStream::AlignRight);
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out.setRealNumberPrecision(8);
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out << "# Thermodynamic data from " << filename << "\n";
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out << "# Step";
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for (auto &c : charts)
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out << qSetFieldWidth(0) << ' ' << qSetFieldWidth(fw) << c->get_title();
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out << qSetFieldWidth(0) << '\n';
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int lines = charts[0]->get_count();
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for (int i = 0; i < lines; ++i) {
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// timestep
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out << qSetFieldWidth(0) << ' ' << qSetFieldWidth(fw) << charts[0]->get_step(i);
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for (auto &c : charts)
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out << qSetFieldWidth(0) << ' ' << qSetFieldWidth(fw) << c->get_data(i);
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out << qSetFieldWidth(0) << '\n';
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}
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file.close();
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}
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}
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}
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void ChartWindow::exportCsv()
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{
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if (charts.empty()) return;
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QString defaultname = filename + ".csv";
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if (filename.isEmpty()) defaultname = "lammpsdata.csv";
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QString fileName = QFileDialog::getSaveFileName(this, "Save Chart as CSV data", defaultname,
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"Image Files (*.csv)");
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if (!fileName.isEmpty()) {
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QFile file(fileName);
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if (file.open(QIODevice::WriteOnly | QIODevice::Text)) {
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QTextStream out(&file);
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out.setRealNumberPrecision(8);
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out << "Step";
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for (auto &c : charts)
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out << ',' << c->get_title();
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out << '\n';
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int lines = charts[0]->get_count();
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for (int i = 0; i < lines; ++i) {
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// timestep
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out << charts[0]->get_step(i);
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for (auto &c : charts)
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out << ',' << c->get_data(i);
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out << '\n';
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}
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file.close();
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}
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}
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}
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void ChartWindow::exportYaml()
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{
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if (charts.empty()) return;
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QString defaultname = filename + ".yaml";
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if (filename.isEmpty()) defaultname = "lammpsdata.yaml";
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QString fileName = QFileDialog::getSaveFileName(this, "Save Chart as YAML data", defaultname,
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"Image Files (*.yaml, *.yml)");
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if (!fileName.isEmpty()) {
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QFile file(fileName);
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if (file.open(QIODevice::WriteOnly | QIODevice::Text)) {
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QTextStream out(&file);
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out.setRealNumberPrecision(8);
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out << "---\n";
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out << "keywords: ['Step'";
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for (auto &c : charts)
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out << ", " << c->get_title();
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out << "]\n";
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out << "data: \n";
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int lines = charts[0]->get_count();
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for (int i = 0; i < lines; ++i) {
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// timestep
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out << " - [" << charts[0]->get_step(i);
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// data
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for (auto &c : charts)
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out << ", " << c->get_data(i);
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out << "]\n";
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}
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out << "...\n";
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file.close();
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}
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}
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}
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void ChartWindow::change_chart(int)
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{
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int choice = columns->currentData().toInt();
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for (auto &c : charts) {
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if (choice == c->get_index())
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c->show();
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else
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c->hide();
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}
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}
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void ChartWindow::closeEvent(QCloseEvent *event)
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{
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QSettings settings;
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if (!isMaximized()) {
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settings.setValue("chartx", width());
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settings.setValue("charty", height());
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}
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QWidget::closeEvent(event);
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}
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// event filter to handle "Ambiguous shortcut override" issues
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bool ChartWindow::eventFilter(QObject *watched, QEvent *event)
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{
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if (event->type() == QEvent::ShortcutOverride) {
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auto *keyEvent = dynamic_cast<QKeyEvent *>(event);
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if (!keyEvent) return QWidget::eventFilter(watched, event);
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if (keyEvent->modifiers().testFlag(Qt::ControlModifier) && keyEvent->key() == '/') {
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stop_run();
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event->accept();
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return true;
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}
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if (keyEvent->modifiers().testFlag(Qt::ControlModifier) && keyEvent->key() == 'W') {
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close();
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event->accept();
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return true;
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}
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}
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return QWidget::eventFilter(watched, event);
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}
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/* -------------------------------------------------------------------- */
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ChartViewer::ChartViewer(const QString &title, int _index, QWidget *parent) :
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QChartView(parent), last_step(-1), index(_index), chart(new QChart), series(new QLineSeries),
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xaxis(new QValueAxis), yaxis(new QValueAxis)
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{
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chart->legend()->hide();
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chart->addAxis(xaxis, Qt::AlignBottom);
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chart->addAxis(yaxis, Qt::AlignLeft);
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chart->addSeries(series);
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series->attachAxis(xaxis);
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series->attachAxis(yaxis);
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xaxis->setTitleText("Time step");
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xaxis->setTickCount(5);
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xaxis->setLabelFormat("%d");
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yaxis->setTickCount(5);
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xaxis->setMinorTickCount(5);
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yaxis->setMinorTickCount(5);
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yaxis->setTitleText(title);
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series->setName(title);
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setRenderHint(QPainter::Antialiasing);
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setChart(chart);
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setRubberBand(QChartView::RectangleRubberBand);
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}
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/* -------------------------------------------------------------------- */
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void ChartViewer::add_data(int step, double data)
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{
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if (last_step < step) {
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last_step = step;
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series->append(step, data);
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reset_zoom();
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}
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}
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/* -------------------------------------------------------------------- */
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void ChartViewer::reset_zoom()
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{
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auto points = series->points();
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qreal xmin = 1.0e100;
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qreal xmax = -1.0e100;
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qreal ymin = 1.0e100;
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qreal ymax = -1.0e100;
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for (auto &p : points) {
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xmin = qMin(xmin, p.x());
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xmax = qMax(xmax, p.x());
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ymin = qMin(ymin, p.y());
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ymax = qMax(ymax, p.y());
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}
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// avoid (nearly) empty ranges
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double deltax = xmax - xmin;
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if ((deltax / ((xmax == 0.0) ? 1.0 : xmax)) < 1.0e-10) {
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if ((xmin == 0.0) || (xmax == 0.0)) {
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xmin = -0.025;
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xmax = 0.025;
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} else {
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xmin -= 0.025 * fabs(xmin);
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xmax += 0.025 * fabs(xmax);
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}
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}
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double deltay = ymax - ymin;
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if ((deltay / ((ymax == 0.0) ? 1.0 : ymax)) < 1.0e-10) {
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if ((ymin == 0.0) || (ymax == 0.0)) {
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ymin = -0.025;
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ymax = 0.025;
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} else {
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ymin -= 0.025 * fabs(ymin);
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ymax += 0.025 * fabs(ymax);
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}
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}
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xaxis->setRange(xmin, xmax);
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yaxis->setRange(ymin, ymax);
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}
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// Local Variables:
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// c-basic-offset: 4
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// End:
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