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Added agl_all

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arcan1s
2013-08-11 02:24:57 +04:00
parent 063e74a472
commit f8120a849d
35 changed files with 5664 additions and 67 deletions
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65
mathmech/mainwindow.cpp
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@ -1,16 +1,18 @@
#include <QFileDialog>
#include <QDir>
#include "mainwindow.h"
#include "ui_mainwindow.h"
#include "aboutwindow.h"
#include "agglwindow.h"
#include "aglallwindow.h"
#include "atomtypeswindow.h"
#include "settingswindow.h"
#include "clear_items.h"
#include "start_events.h"
#include "update_fields.h"
#include "mainwindow.h"
#include "ui_mainwindow.h"
MainWindow::MainWindow(QWidget *parent) :
QMainWindow(parent),
ui(new Ui::MainWindow),
@ -117,6 +119,14 @@ void MainWindow::on_statgen_checkBox_atoms3_stateChanged(int arg1)
update_interaction();
}
void MainWindow::on_statgen_checkBox_anal_stateChanged(int arg1)
{
if (arg1 == 0)
ui->statgen_doubleSpinBox_anal->setDisabled(true);
else if (arg1 == 2)
ui->statgen_doubleSpinBox_anal->setEnabled(true);
}
void MainWindow::on_envir_checkBox_log_stateChanged(int arg1)
{
if (arg1 == 0)
@ -568,30 +578,71 @@ void MainWindow::on_stagen_pushButton_intRem_clicked()
// start signals
void MainWindow::on_trj_pushButton_start_clicked()
{
start_events->start_trj(mm_trj_path);
QString workDir = parent->ui->trj_lineEdit_workDir->text();
QString input = parent->ui->trj_lineEdit_input->text();
QString type;
switch (parent->ui->trj_comboBox_type->currentIndex())
{
case 0:
type = QString("gmx");
break;
case 1:
type = QString("puma");
break;
}
QString steps = QString::number(parent->ui->trj_spinBox_steps->value());
QString atomType = parent->ui->trj_lineEdit_atoms->text();
QString mask = parent->ui->trj_lineEdit_output->text();
QString totalTypes = QString::number(parent->ui->trj_spinBox_totalTypes->value());
QString log;
if (parent->ui->trj_checkBox_log->checkState() == 2)
log = parent->ui->trj_lineEdit_log->text();
ui->centralWidget->setDisabled(true);
Start_events *start_events;
start_events = new Start_events;
start_events->start_trj(mm_trj_path,
workDir,
input,
type,
steps,
atomType,
mask,
totalTypes,
log);
delete start_events
ui->centralWidget->setEnabled(true);
}
void MainWindow::on_statgen_pushButton_start_clicked()
{
ui->centralWidget->setDisabled(true);
start_events->start_statgen(mm_statgen_path);
ui->centralWidget->setEnabled(true);
}
void MainWindow::on_envir_pushButton_start_clicked()
{
ui->centralWidget->setDisabled(true);
start_events->start_envir(mm_envir_path);
ui->centralWidget->setEnabled(true);
}
void MainWindow::on_radf_pushButton_start_clicked()
{
ui->centralWidget->setDisabled(true);
start_events->start_radf(mm_radf_path);
ui->centralWidget->setEnabled(true);
}
void MainWindow::on_pdb_pushButton_start_clicked()
{
ui->centralWidget->setDisabled(true);
if (ui->pdb_comboBox_mode->currentIndex() == 0)
start_events->start_pdb(mm_agl_path);
else if (ui->pdb_comboBox_mode->currentIndex() == 1)
start_events->start_pdb(mm_trj2pdb_path);
ui->centralWidget->setEnabled(true);
}
// completion
@ -621,6 +672,7 @@ void MainWindow::createActions()
connect(ui->actionAgglomerate_file, SIGNAL(triggered()), this, SLOT(createAgglFile()));
connect(ui->actionAbout, SIGNAL(triggered()), this, SLOT(aboutWin()));
connect(ui->actionSettings, SIGNAL(triggered()), this, SLOT(settingsWinShow()));
connect(ui->actionAgl_all, SIGNAL(triggered()), this, SLOT(aglallWinShow()));
}
void MainWindow::createAtomTypes()
@ -650,3 +702,10 @@ void MainWindow::settingsWinShow()
settingsWindow = new SettingsWindow(this);
settingsWindow->show();
}
void MainWindow::aglallWinShow()
{
AglAllWindow *aglallWin;
aglallWin = new AglAllWindow(this, mm_agl_path);
aglallWin->show();
}