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complete chart view window with option to select chart from thermo columns

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This commit is contained in:
Axel Kohlmeyer
2023-08-05 18:31:43 -04:00
parent fe7681d0b3
commit 53eaca030b
4 changed files with 169 additions and 50 deletions
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108
tools/lammps-gui/chartviewer.cpp
View File

@ -13,18 +13,95 @@
#include "chartviewer.h"
#include <QHBoxLayout>
#include <QLineSeries>
#include <QSettings>
#include <QVBoxLayout>
using namespace QtCharts;
ChartViewer::ChartViewer(QWidget *parent) :
QChartView(parent), last_step(-1), chart(new QChart), series(new QLineSeries),
ChartWindow::ChartWindow(const QString &_filename, QWidget *parent) :
QWidget(parent), menu(new QMenuBar), file(new QMenu("&File")), active_chart(-1),
filename(_filename)
{
auto *top = new QHBoxLayout;
menu->addMenu(file);
menu->setSizePolicy(QSizePolicy::Minimum, QSizePolicy::Preferred);
columns = new QComboBox;
top->addWidget(menu);
top->addWidget(columns);
saveAsAct = file->addAction("&Save Graph As...", this, &ChartWindow::saveAs);
closeAct = file->addAction("&Close", this, &QWidget::close);
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());
}
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);
active_chart = 0;
}
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() || (active_chart < 0)) 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()) {
charts[active_chart]->grab().save(fileName);
}
}
void ChartWindow::change_chart(int index)
{
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->addAxis(xaxis, Qt::AlignBottom);
chart->addAxis(yaxis, Qt::AlignLeft);
chart->addSeries(series);
series->attachAxis(xaxis);
series->attachAxis(yaxis);
@ -33,22 +110,17 @@ ChartViewer::ChartViewer(QWidget *parent) :
yaxis->setTickCount(5);
xaxis->setMinorTickCount(5);
yaxis->setMinorTickCount(5);
yaxis->setTitleText(title);
series->setName(title);
setRenderHint(QPainter::Antialiasing);
setChart(chart);
setRubberBand(QChartView::RectangleRubberBand);
QSettings settings;
resize(settings.value("chartx", 500).toInt(), settings.value("charty", 320).toInt());
}
void ChartViewer::add_column(const QString &title)
{
yaxis->setTitleText(title);
series->setName(title);
}
/* -------------------------------------------------------------------- */
void ChartViewer::add_data(int step, int column, double data)
void ChartViewer::add_data(int step, double data)
{
if (last_step < step) {
last_step = step;
@ -70,16 +142,6 @@ void ChartViewer::add_data(int step, int column, double data)
}
}
void ChartViewer::closeEvent(QCloseEvent *event)
{
QSettings settings;
if (!isMaximized()) {
settings.setValue("chartx", width());
settings.setValue("charty", height());
}
QChartView::closeEvent(event);
}
// Local Variables:
// c-basic-offset: 4
// End:

52
tools/lammps-gui/chartviewer.h
View File

@ -14,23 +14,61 @@
#ifndef CHARTVIEWER_H
#define CHARTVIEWER_H
#include <QList>
#include <QString>
#include <QWidget>
#include <QtCharts>
class ChartViewer : public QtCharts::QChartView {
class QAction;
class QMenuBar;
class QMenu;
class QComboBox;
class ChartViewer;
class ChartWindow : public QWidget {
Q_OBJECT
public:
ChartViewer(QWidget *parent = nullptr);
bool has_columns() const { return last_step >= 0; }
void add_column(const QString &title);
void add_data(int step, int column, double data);
int get_last_step() const;
ChartWindow(const QString &filename, QWidget *parent = nullptr);
bool has_charts() const { return !charts.isEmpty(); }
void add_chart(const QString &title, int index);
void add_data(int step, double data, int index);
private slots:
void saveAs();
void change_chart(int index);
// void normalSize();
protected:
void closeEvent(QCloseEvent *event) override;
private:
int last_step;
QMenuBar *menu;
QMenu *file;
QComboBox *columns;
QAction *saveAsAct;
QAction *closeAct;
QString filename;
int active_chart;
QList<ChartViewer *> charts;
};
/* -------------------------------------------------------------------- */
class ChartViewer : public QtCharts::QChartView {
Q_OBJECT
public:
explicit ChartViewer(const QString &title, int index, QWidget *parent = nullptr);
void add_data(int step, double data);
int get_index() const { return index; };
private:
int last_step, index;
QtCharts::QChart *chart;
QtCharts::QLineSeries *series;
QtCharts::QValueAxis *xaxis;

55
tools/lammps-gui/lammpsgui.cpp
View File

@ -414,15 +414,26 @@ void LammpsGui::logupdate()
else
step = (int)*(int64_t *)ptr;
int ncols = *(int *)lammps.last_thermo("num", 0);
if (!chartwindow->has_columns()) {
// for (int i = 0; i < ncols; ++i) {
chartwindow->add_column((const char *)lammps.last_thermo("keyword", 1));
// }
if (!chartwindow->has_charts()) {
for (int i = 0; i < ncols; ++i) {
QString label = (const char *)lammps.last_thermo("keyword", i);
// no need to store the timestep column
if (label == "Step") continue;
chartwindow->add_chart(label, i);
}
}
// for (int i = 0; i < ncols; ++i) {
chartwindow->add_data(step, 0, *(double *)lammps.last_thermo("data", 1));
// }
for (int i = 0; i < ncols; ++i) {
int datatype = *(int *)lammps.last_thermo("type", i);
double data;
if (datatype == 0) // int
data = *(int *)lammps.last_thermo("data", i);
else if (datatype == 2) // double
data = *(double *)lammps.last_thermo("data", i);
else if (datatype == 4) // bigint
data = (double)*(int64_t *)lammps.last_thermo("data", i);
chartwindow->add_data(step, data, i);
}
}
}
}
@ -458,18 +469,26 @@ void LammpsGui::run_done()
else
step = (int)*(int64_t *)ptr;
int ncols = *(int *)lammps.last_thermo("num", 0);
if (!chartwindow->has_columns()) {
// for (int i = 0; i < ncols; ++i) {
chartwindow->add_column((const char *)lammps.last_thermo("keyword", 1));
// }
for (int i = 0; i < ncols; ++i) {
if (!chartwindow->has_charts()) {
QString label = (const char *)lammps.last_thermo("keyword", i);
// no need to store the timestep column
if (label == "Step") continue;
chartwindow->add_chart(label, i);
}
int datatype = *(int *)lammps.last_thermo("type", i);
double data;
if (datatype == 0) // int
data = *(int *)lammps.last_thermo("data", i);
else if (datatype == 2) // double
data = *(double *)lammps.last_thermo("data", i);
else if (datatype == 4) // bigint
data = (double)*(int64_t *)lammps.last_thermo("data", i);
chartwindow->add_data(step, data, i);
}
// for (int i = 0; i < ncols; ++i) {
chartwindow->add_data(step, 0, *(double *)lammps.last_thermo("data", 1));
// }
}
}
bool success = true;
constexpr int BUFLEN = 1024;
char errorbuf[BUFLEN];
@ -552,13 +571,13 @@ void LammpsGui::run_buffer()
// if configured, delete old log window before opening new one
if (settings.value("chartreplace", false).toBool()) delete chartwindow;
chartwindow = new ChartViewer();
chartwindow = new ChartWindow(current_file);
chartwindow->setWindowTitle("LAMMPS-GUI - Thermo charts from running LAMMPS on buffer - " +
current_file);
chartwindow->setWindowIcon(QIcon(":/lammps-icon-128x128.png"));
chartwindow->setMinimumSize(400, 300);
shortcut = new QShortcut(QKeySequence(Qt::CTRL + Qt::Key_W), chartwindow);
QObject::connect(shortcut, &QShortcut::activated, chartwindow, &ChartViewer::close);
QObject::connect(shortcut, &QShortcut::activated, chartwindow, &ChartWindow::close);
shortcut = new QShortcut(QKeySequence(Qt::CTRL + Qt::Key_Slash), chartwindow);
QObject::connect(shortcut, &QShortcut::activated, this, &LammpsGui::stop_run);
chartwindow->show();

4
tools/lammps-gui/lammpsgui.h
View File

@ -39,7 +39,7 @@ class Highlighter;
class StdCapture;
class Preferences;
class ImageViewer;
class ChartViewer;
class ChartWindow;
class LammpsGui : public QMainWindow {
Q_OBJECT
@ -86,7 +86,7 @@ private:
QLabel *status;
QPlainTextEdit *logwindow;
ImageViewer *imagewindow;
ChartViewer *chartwindow;
ChartWindow *chartwindow;
QTimer *logupdater;
QLabel *dirstatus;
QProgressBar *progress;