mirror of
https://github.com/arcan1s/moldyn.git
synced 2025-07-04 01:25:47 +00:00
Deleted start_events from friend class
This commit is contained in:
arcan1s
@ -8,6 +8,7 @@
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#include "settingswindow.h"
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#include "clear_items.h"
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#include "start_events.h"
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#include "statgengraphwindow.h"
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#include "update_fields.h"
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#include "mainwindow.h"
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@ -17,7 +18,6 @@ MainWindow::MainWindow(QWidget *parent) :
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QMainWindow(parent),
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ui(new Ui::MainWindow),
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clear_items(new Clear_items(this)),
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start_events(new Start_events(this)),
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update_fields(new Update_fields(this))
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{
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ui->setupUi(this);
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@ -578,10 +578,10 @@ void MainWindow::on_stagen_pushButton_intRem_clicked()
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// start signals
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void MainWindow::on_trj_pushButton_start_clicked()
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{
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QString workDir = parent->ui->trj_lineEdit_workDir->text();
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QString input = parent->ui->trj_lineEdit_input->text();
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QString workDir = ui->trj_lineEdit_workDir->text();
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QString input = ui->trj_lineEdit_input->text();
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QString type;
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switch (parent->ui->trj_comboBox_type->currentIndex())
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switch (ui->trj_comboBox_type->currentIndex())
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{
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case 0:
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type = QString("gmx");
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@ -590,59 +590,259 @@ void MainWindow::on_trj_pushButton_start_clicked()
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type = QString("puma");
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break;
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}
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QString steps = QString::number(parent->ui->trj_spinBox_steps->value());
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QString atomType = parent->ui->trj_lineEdit_atoms->text();
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QString mask = parent->ui->trj_lineEdit_output->text();
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QString totalTypes = QString::number(parent->ui->trj_spinBox_totalTypes->value());
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QString steps = QString::number(ui->trj_spinBox_steps->value());
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QString atomType = ui->trj_lineEdit_atoms->text();
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QString mask = ui->trj_lineEdit_output->text();
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QString totalTypes = QString::number(ui->trj_spinBox_totalTypes->value());
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QString log;
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if (parent->ui->trj_checkBox_log->checkState() == 2)
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log = parent->ui->trj_lineEdit_log->text();
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if (ui->trj_checkBox_log->checkState() == 2)
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log = ui->trj_lineEdit_log->text();
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else
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log = QString("#");
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ui->centralWidget->setDisabled(true);
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Start_events *start_events;
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start_events = new Start_events;
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start_events->start_trj(mm_trj_path,
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workDir,
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input,
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type,
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steps,
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atomType,
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mask,
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totalTypes,
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log);
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delete start_events
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ui->centralWidget->setEnabled(true);
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ui->tabWidget->setDisabled(true);
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ui->statusBar->showMessage(QApplication::translate("MainWindow", "Processing 'trj'..."));
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start_events = new Start_events(this);
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bool check = start_events->start_trj(mm_trj_path,
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workDir,
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input,
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type,
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steps,
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atomType,
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mask,
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totalTypes,
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log);
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delete start_events;
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ui->tabWidget->setEnabled(true);
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ui->statusBar->showMessage(QApplication::translate("MainWindow", "Done"));
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}
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void MainWindow::on_statgen_pushButton_start_clicked()
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{
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ui->centralWidget->setDisabled(true);
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start_events->start_statgen(mm_statgen_path);
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ui->centralWidget->setEnabled(true);
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QString workDir = ui->statgen_lineEdit_workDir->text();
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QString mask = ui->statgen_lineEdit_input->text();
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QString firstStep = QString::number(ui->statgen_spinBox_stepsFirst->value());
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QString lastStep = QString::number(ui->statgen_spinBox_stepsLast->value());
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QString cellX, cellY, cellZ;
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cellX.setNum(ui->statgen_doubleSpinBox_cellX->value(), 'f', 4);
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cellY.setNum(ui->statgen_doubleSpinBox_cellY->value(), 'f', 4);
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cellZ.setNum(ui->statgen_doubleSpinBox_cellZ->value(), 'f', 4);
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QString atom0 = QString::number(ui->statgen_spinBox_atoms0->value());
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QString atom1, atom2, atom3;
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if (ui->statgen_checkBox_atoms1->checkState() == 2)
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atom1.setNum(ui->statgen_spinBox_atoms1->value());
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else
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atom1 = QString("#");
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if (ui->statgen_checkBox_atoms2->checkState() == 2)
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atom2.setNum(ui->statgen_spinBox_atoms2->value());
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else
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atom2 = QString("#");
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if (ui->statgen_checkBox_atoms3->checkState() == 2)
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atom3.setNum(ui->statgen_spinBox_atoms3->value());
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else
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atom3 = QString("#");
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QString inter;
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inter = QString("");
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for (int i=0; i<ui->statgen_listWidget_int->count(); i++)
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inter.append(" -r " + ui->statgen_listWidget_int->item(i)->text());
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QString output = ui->statgen_lineEdit_output->text();
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QString depth;
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if (ui->statgen_checkBox_depth->checkState() == 2)
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depth.setNum(ui->statgen_spinBox_depth->value());
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else
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depth = QString("#");
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QString log;
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if (ui->statgen_checkBox_log->checkState() == 2)
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log = ui->statgen_lineEdit_log->text();
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else
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log = QString("#");
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ui->statusBar->showMessage(QApplication::translate("MainWindow", "Processing 'statgen'..."));
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ui->tabWidget->setDisabled(true);
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start_events = new Start_events(this);
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bool check = start_events->start_statgen(mm_statgen_path,
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workDir,
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mask,
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firstStep,
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lastStep,
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cellX, cellY, cellZ,
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atom0, atom1, atom2, atom3,
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inter,
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output,
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depth,
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log);
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delete start_events;
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ui->tabWidget->setEnabled(true);
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ui->statusBar->showMessage(QApplication::translate("MainWindow", "Done"));
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if ((ui->statgen_checkBox_graph->checkState() == 2) && (check == true))
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{
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QString filename = output;
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if (!filename.contains(QDir::separator()))
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filename = QFileInfo(QDir(workDir), filename).absoluteFilePath();
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StatgenGraphWindow *graphwin;
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graphwin = new StatgenGraphWindow(this, filename);
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graphwin->show();
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}
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}
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void MainWindow::on_envir_pushButton_start_clicked()
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{
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ui->centralWidget->setDisabled(true);
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start_events->start_envir(mm_envir_path);
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ui->centralWidget->setEnabled(true);
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QString workDir = ui->envir_lineEdit_workDir->text();
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QString input = ui->envir_lineEdit_input->text();
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QString cellX, cellY, cellZ;
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cellX.setNum(ui->envir_doubleSpinBox_cellX->value(), 'f', 4);
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cellY.setNum(ui->envir_doubleSpinBox_cellY->value(), 'f', 4);
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cellZ.setNum(ui->envir_doubleSpinBox_cellZ->value(), 'f', 4);
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QString output = ui->envir_lineEdit_output->text();
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QString molecule = QString::number(ui->envir_spinBox_molecule->value());
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QString radius;
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radius.setNum(ui->envir_doubleSpinBox_radius->value(), 'f', 4);
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QString log;
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if (ui->envir_checkBox_log->checkState() == 2)
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log = ui->envir_lineEdit_log->text();
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else
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log = QString("#");
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ui->statusBar->showMessage(QApplication::translate("MainWindow", "Processing 'envir'..."));
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ui->tabWidget->setDisabled(true);
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start_events = new Start_events(this);
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bool check = start_events->start_envir(mm_envir_path,
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workDir,
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input,
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cellX, cellY, cellZ,
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output,
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molecule,
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radius,
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log);
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delete start_events;
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ui->tabWidget->setEnabled(true);
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ui->statusBar->showMessage(QApplication::translate("MainWindow", "Done"));
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}
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void MainWindow::on_radf_pushButton_start_clicked()
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{
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ui->centralWidget->setDisabled(true);
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start_events->start_radf(mm_radf_path);
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ui->centralWidget->setEnabled(true);
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QString workDir = ui->radf_lineEdit_workDir->text();
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QString mask = ui->radf_lineEdit_input->text();
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QString firstStep = QString::number(ui->radf_spinBox_stepsFirst->value());
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QString lastStep = QString::number(ui->radf_spinBox_stepsLast->value());
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QString cellX, cellY, cellZ;
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cellX.setNum(ui->radf_doubleSpinBox_cellX->value(), 'f', 4);
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cellY.setNum(ui->radf_doubleSpinBox_cellY->value(), 'f', 4);
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cellZ.setNum(ui->radf_doubleSpinBox_cellZ->value(), 'f', 4);
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QString output = ui->radf_lineEdit_output->text();
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QString atom0 = QString::number(ui->radf_spinBox_atoms0->value());
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QString atom3 = QString::number(ui->radf_spinBox_atoms3->value());
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QString atom1, atom2, atom4, atom5;
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if (ui->radf_comboBox_atom->currentIndex() == 1)
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{
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atom1 = QString::number(ui->radf_spinBox_atoms1->value());
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atom2 = QString::number(ui->radf_spinBox_atoms1->value());
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atom4 = QString::number(ui->radf_spinBox_atoms1->value());
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atom5 = QString::number(ui->radf_spinBox_atoms1->value());
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}
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else
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atom1 = QString("#");
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QString radMin, radMax, radStep, angMin, angMax, angStep;
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radMin.setNum(ui->radf_doubleSpinBox_radMin->value(), 'f', 3);
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radMax.setNum(ui->radf_doubleSpinBox_radMax->value(), 'f', 3);
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radStep.setNum(ui->radf_doubleSpinBox_radStep->value(), 'f', 3);
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if (ui->radf_checkBox_ang->checkState() == 2)
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{
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angMin.setNum(ui->radf_doubleSpinBox_angMin->value(), 'f', 2);
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angMax.setNum(ui->radf_doubleSpinBox_angMax->value(), 'f', 2);
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angStep.setNum(ui->radf_doubleSpinBox_angStep->value(), 'f', 2);
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}
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else
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angStep = QString("#");
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QString log;
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if (ui->radf_checkBox_log->checkState() == 2)
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log = ui->radf_lineEdit_log->text();
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else
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log = QString("#");
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int matrix;
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if (ui->radf_checkBox_matrix->checkState() == 2)
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matrix = 1;
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else
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matrix = 0;
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ui->statusBar->showMessage(QApplication::translate("MainWindow", "Processing 'radf'..."));
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ui->tabWidget->setDisabled(true);
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start_events = new Start_events(this);
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bool check = start_events->start_radf(mm_radf_path,
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workDir,
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mask,
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firstStep,
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lastStep,
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cellX, cellY, cellZ,
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output,
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atom0, atom1, atom2,
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atom3, atom4, atom5,
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radMin, radMax, radStep,
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angMin, angMax, angStep,
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log, matrix);
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delete start_events;
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ui->tabWidget->setEnabled(true);
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ui->statusBar->showMessage(QApplication::translate("MainWindow", "Done"));
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if ((ui->radf_checkBox_graph->checkState() == 2) && (check == true))
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{
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QString filename = output;
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if (!filename.contains(QDir::separator()))
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filename = QFileInfo(QDir(workDir), filename).absoluteFilePath();
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StatgenGraphWindow *graphwin;
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graphwin = new StatgenGraphWindow(this, filename);
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graphwin->show();
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}
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}
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void MainWindow::on_pdb_pushButton_start_clicked()
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{
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ui->centralWidget->setDisabled(true);
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QString workDir = ui->pdb_lineEdit_workDir->text();
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QString input = ui->pdb_lineEdit_input->text();
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QString agl, cellX, cellY, cellZ;
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if (ui->pdb_comboBox_mode->currentIndex() == 0)
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start_events->start_pdb(mm_agl_path);
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{
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agl = ui->pdb_lineEdit_agl->text();
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cellX.setNum(ui->pdb_doubleSpinBox_cellX->value(), 'f', 4);
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cellY.setNum(ui->pdb_doubleSpinBox_cellY->value(), 'f', 4);
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cellZ.setNum(ui->pdb_doubleSpinBox_cellZ->value(), 'f', 4);
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}
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else
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agl = QString("#");
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QString output = ui->pdb_lineEdit_output->text();
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QString log;
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if (ui->pdb_checkBox_log->checkState() == 2)
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log = ui->pdb_lineEdit_log->text();
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else
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log = QString("#");
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if (ui->pdb_comboBox_mode->currentIndex() == 0)
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ui->statusBar->showMessage(QApplication::translate("MainWindow", "Processing 'agl'..."));
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else if (ui->pdb_comboBox_mode->currentIndex() == 1)
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start_events->start_pdb(mm_trj2pdb_path);
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ui->centralWidget->setEnabled(true);
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ui->statusBar->showMessage(QApplication::translate("MainWindow", "Processing 'trj2pdb'..."));
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ui->tabWidget->setDisabled(true);
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start_events = new Start_events(this);
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bool check;
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if (ui->pdb_comboBox_mode->currentIndex() == 0)
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check = start_events->start_pdb(mm_agl_path,
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workDir,
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input,
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agl,
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cellX, cellY, cellZ,
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output,
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log);
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else if (ui->pdb_comboBox_mode->currentIndex() == 1)
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check = start_events->start_pdb(mm_trj2pdb_path,
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workDir,
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input,
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agl,
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cellX, cellY, cellZ,
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output,
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log);
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delete start_events;
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ui->tabWidget->setEnabled(true);
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ui->statusBar->showMessage(QApplication::translate("MainWindow", "Done"));
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}
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// completion
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