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https://github.com/arcan1s/moldyn.git
synced 2025-07-05 18:15:48 +00:00
Edited files
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@ -5,12 +5,14 @@
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#include "ui_mainwindow.h"
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#include "clear_items.h"
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#include "start_events.h"
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#include "update_fields.h"
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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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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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statgen_crit = new float[10];
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@ -32,6 +34,7 @@ MainWindow::~MainWindow()
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delete ui;
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delete clear_items;
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delete start_events;
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delete update_fields;
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delete statgen_crit;
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}
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@ -47,7 +50,6 @@ void MainWindow::on_trj_checkBox_log_stateChanged(int arg1)
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{
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ui->trj_lineEdit_log->setEnabled(true);
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ui->trj_pushButton_log->setEnabled(true);
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ui->trj_lineEdit_log->clear();
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}
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}
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@ -56,10 +58,7 @@ void MainWindow::on_statgen_checkBox_depth_stateChanged(int arg1)
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if (arg1 == 0)
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ui->statgen_spinBox_depth->setDisabled(true);
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else if (arg1 == 2)
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{
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ui->statgen_spinBox_depth->setEnabled(true);
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ui->statgen_spinBox_depth->setValue(10);
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}
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}
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void MainWindow::on_statgen_checkBox_log_stateChanged(int arg1)
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@ -73,7 +72,6 @@ void MainWindow::on_statgen_checkBox_log_stateChanged(int arg1)
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{
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ui->statgen_lineEdit_log->setEnabled(true);
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ui->statgen_pushButton_log->setEnabled(true);
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ui->statgen_lineEdit_log->clear();
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}
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}
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@ -88,7 +86,6 @@ void MainWindow::on_statgen_checkBox_atoms1_stateChanged(int arg1)
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else if (arg1 == 2)
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{
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ui->statgen_spinBox_atoms1->setEnabled(true);
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ui->statgen_spinBox_atoms1->setValue(0);
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ui->statgen_checkBox_atoms2->setEnabled(true);
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}
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update_interaction();
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@ -105,7 +102,6 @@ void MainWindow::on_statgen_checkBox_atoms2_stateChanged(int arg1)
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else if (arg1 == 2)
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{
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ui->statgen_spinBox_atoms2->setEnabled(true);
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ui->statgen_spinBox_atoms2->setValue(0);
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ui->statgen_checkBox_atoms3->setEnabled(true);
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}
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update_interaction();
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@ -116,10 +112,7 @@ void MainWindow::on_statgen_checkBox_atoms3_stateChanged(int arg1)
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if (arg1 == 0)
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ui->statgen_spinBox_atoms3->setDisabled(true);
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else if (arg1 == 2)
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{
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ui->statgen_spinBox_atoms3->setEnabled(true);
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ui->statgen_spinBox_atoms3->setValue(0);
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}
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update_interaction();
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}
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@ -134,7 +127,6 @@ void MainWindow::on_envir_checkBox_log_stateChanged(int arg1)
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{
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ui->envir_lineEdit_log->setEnabled(true);
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ui->envir_pushButton_log->setEnabled(true);
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ui->envir_lineEdit_log->clear();
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}
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}
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@ -153,10 +145,6 @@ void MainWindow::on_radf_comboBox_atom_currentIndexChanged(int index)
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ui->radf_spinBox_atoms2->setEnabled(true);
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ui->radf_spinBox_atoms4->setEnabled(true);
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ui->radf_spinBox_atoms5->setEnabled(true);
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ui->radf_spinBox_atoms1->setValue(0);
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ui->radf_spinBox_atoms2->setValue(0);
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ui->radf_spinBox_atoms4->setValue(0);
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ui->radf_spinBox_atoms5->setValue(0);
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}
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}
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@ -173,9 +161,6 @@ void MainWindow::on_radf_checkBox_ang_stateChanged(int arg1)
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ui->radf_doubleSpinBox_angMax->setEnabled(true);
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ui->radf_doubleSpinBox_angMin->setEnabled(true);
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ui->radf_doubleSpinBox_angStep->setEnabled(true);
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ui->radf_doubleSpinBox_angMax->setValue(90.0);
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ui->radf_doubleSpinBox_angMin->setValue(0.0);
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ui->radf_doubleSpinBox_angStep->setValue(15.0);
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}
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}
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@ -190,7 +175,6 @@ void MainWindow::on_radf_checkBox_log_stateChanged(int arg1)
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{
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ui->radf_lineEdit_log->setEnabled(true);
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ui->radf_pushButton_log->setEnabled(true);
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ui->radf_lineEdit_log->clear();
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}
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}
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@ -206,10 +190,6 @@ void MainWindow::on_pdb_comboBox_mode_currentIndexChanged(int index)
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}
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else if (index == 0)
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{
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ui->pdb_lineEdit_agl->clear();
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ui->pdb_doubleSpinBox_cellX->setValue(0.1);
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ui->pdb_doubleSpinBox_cellY->setValue(0.1);
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ui->pdb_doubleSpinBox_cellZ->setValue(0.1);
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ui->pdb_lineEdit_agl->setEnabled(true);
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ui->pdb_pushButton_agl->setEnabled(true);
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ui->pdb_doubleSpinBox_cellX->setEnabled(true);
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@ -229,7 +209,6 @@ void MainWindow::on_pdb_checkBox_log_stateChanged(int arg1)
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{
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ui->pdb_lineEdit_log->setEnabled(true);
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ui->pdb_pushButton_log->setEnabled(true);
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ui->pdb_lineEdit_log->clear();
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}
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}
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@ -575,3 +554,23 @@ void MainWindow::on_pdb_pushButton_start_clicked()
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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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}
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// completion
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void MainWindow::on_tabWidget_currentChanged(int index)
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{
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switch(index)
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{
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case 1:
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update_fields->setup_def_statgen();
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break;
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case 2:
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update_fields->setup_def_envir();
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break;
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case 3:
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update_fields->setup_def_radf();
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break;
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case 4:
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update_fields->setup_def_pdb();
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break;
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}
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}
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