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tweak output format for gnuplot data export

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This commit is contained in:
Axel Kohlmeyer
2023-10-03 12:02:56 -04:00
parent 37c1bfafa3
commit b5dae4024a
1 changed files with 13 additions and 14 deletions
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27
tools/lammps-gui/chartviewer.cpp
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@ -116,25 +116,24 @@ void ChartWindow::exportDat()
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);
file.write("# Thermodynamic data from ");
file.write(filename.toLocal8Bit());
file.write("\n# Columns:");
for (auto &c : charts) {
file.write(" ");
file.write(c->get_title());
}
file.write("\n");
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
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");
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();
}