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Code Issues Projects Releases Wiki Activity

Added agl_all

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This commit is contained in:
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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5
mathmech/agglwindow.cpp
View File

@ -3,12 +3,11 @@
#include <QKeyEvent>
#include <QTextStream>
#include "errorwindow.h"
#include "agglwindow.h"
#include "ui_agglwindow.h"
#include "errorwindow.h"
#include "ui_errorwindow.h"
AgglWindow::AgglWindow(QWidget *parent, QString inputfile) :
QMainWindow(parent),
ui(new Ui::AgglWindow)

210
mathmech/aglallwindow.cpp
View File

@ -1,14 +1,222 @@
#include <QDir>
#include <QFileDialog>
#include <QKeyEvent>
#include <QTextStream>
#include "errorwindow.h"
#include "aglallwindow.h"
#include "ui_aglallwindow.h"
AglAllWindow::AglAllWindow(QWidget *parent) :
AglAllWindow::AglAllWindow(QWidget *parent, QString mm_agl_path) :
QMainWindow(parent),
ui(new Ui::AglAllWindow)
{
ui->setupUi(this);
_mm_agl_path = mm_agl_path;
}
AglAllWindow::~AglAllWindow()
{
delete ui;
}
// ESC press event
void AglAllWindow::keyPressEvent(QKeyEvent *pressedKey)
{
if (pressedKey->key() == Qt::Key_Escape)
close();
}
void AglAllWindow::on_aglall_pushButton_clear_clicked()
{
ui->aglall_lineEdit_workDir->clear();
ui->aglall_lineEdit_input->clear();
ui->aglall_lineEdit_output->clear();
ui->aglall_spinBox_file->setValue(0);
ui->aglall_spinBox_num->setValue(0);
}
void AglAllWindow::on_aglall_pushButton_workDir_clicked()
{
QString dirname = QFileDialog::getExistingDirectory(
this,
tr("Select work directory"),
QDir::currentPath());
if (!dirname.isEmpty())
ui->aglall_lineEdit_workDir->setText(dirname);
}
void AglAllWindow::on_pdb_pushButton_input_clicked()
{
QString filename = QFileDialog::getOpenFileName(
this,
tr("Select trajectory file"),
QDir(ui->aglall_lineEdit_workDir->text()).absolutePath(),
tr("'statgen' output files (*.dat);;All files (*.*)"));
if (!filename.isEmpty())
ui->aglall_lineEdit_input->setText(filename);
}
void AglAllWindow::on_aglall_pushButton_output_clicked()
{
QString filename = QFileDialog::getSaveFileName(
this,
tr("Save file as..."),
QDir(ui->aglall_lineEdit_workDir->text()).absolutePath(),
tr("PDB files (*.pdb);;All files (*.*)"));
if (!filename.isEmpty())
ui->aglall_lineEdit_output->setText(filename.split(QString("."))[0]);
}
void AglAllWindow::on_aglall_pushButton_start_clicked()
{
ui->centralwidget->setDisabled(true);
start_agl();
ui->centralwidget->setEnabled(true);
}
void AglAllWindow::start_agl()
{
errorwin = new ErrorWindow(this);
ui->statusbar->showMessage(QApplication::translate("AglAll", "Processing 'agl'..."));
ui->statusbar->showMessage(QApplication::translate("AglAll", "Processing 'agl'..."));
// read variables
QString workDir = ui->aglall_lineEdit_workDir->text();
QString input = ui->aglall_lineEdit_input->text();
QString output = ui->aglall_lineEdit_output->text();
// error check
if ((workDir == "") || (!QDir(workDir).exists()))
{
errorwin->set_message(0);
errorwin->show();
return;
}
if (input == "")
{
errorwin->set_message(1);
errorwin->show();
return;
}
if (output == "")
{
errorwin->set_message(4);
errorwin->show();
return;
}
if (!QFile(_mm_agl_path).exists())
{
errorwin->set_message(7);
errorwin->show();
return;
}
if (output.contains(QString(".pdb")))
output = output.split(QString(".pdb"), QString::SkipEmptyParts)[0];
if (output.contains(QDir::separator()))
output = QFileInfo(output).absoluteFilePath();
else
output = QFileInfo(QDir(workDir), output).absoluteFilePath();
// reading file
QString tmp_str;
QFile inp_agl(input);
bool exists = inp_agl.open(QIODevice::ReadOnly);
if (!exists)
{
errorwin->set_message(1);
errorwin->show();
return;
}
tmp_str = QString(inp_agl.readLine());
if (!tmp_str.contains(QString("statgen")))
{
errorwin->set_message(11);
errorwin->show();
return;
}
QString mask;
float cellX, cellY, cellZ;
while (!tmp_str.contains(QString("END")))
{
if (tmp_str.contains(QString("MASK=")))
mask = tmp_str.split(QString("MASK="), QString::SkipEmptyParts)[0];
else if (tmp_str.contains(QString("CELL=")))
{
cellX = tmp_str.split(QString("CELL="), QString::SkipEmptyParts)[0].
split(QString(","), QString::SkipEmptyParts)[0].toFloat();
cellY = tmp_str.split(QString("CELL="), QString::SkipEmptyParts)[0].
split(QString(","), QString::SkipEmptyParts)[1].toFloat();
cellZ = tmp_str.split(QString("CELL="), QString::SkipEmptyParts)[0].
split(QString(","), QString::SkipEmptyParts)[2].toFloat();
}
tmp_str = QString(inp_agl.readLine());
}
char cell[256];
sprintf (cell, "%.4f,%.4f,%.4f", cellX, cellY, cellZ);
int num_file = ui->aglall_spinBox_file->value();
int num_mol = ui->aglall_spinBox_num->value();
int agl_num = 0, cur_agl_size = -1, cur_file = -1;
QString agl_output, cur_file_name;
while (!tmp_str.contains(QString("SUMMARY STATISTIC")))
{
if (tmp_str.contains(QString("FILE=")))
{
cur_file = tmp_str.split(QString("FILE="), QString::SkipEmptyParts)[0].
split(QString("\n"), QString::SkipEmptyParts)[0].
split(QString("."), QString::SkipEmptyParts).last().toInt();
cur_file_name = tmp_str.split(QString("FILE="), QString::SkipEmptyParts)[0].
split(QString("\n"), QString::SkipEmptyParts)[0];
}
else if ((tmp_str.contains(QString("AGL="))) &&
((cur_file == num_file) || (num_file == 0)))
{
cur_agl_size = tmp_str.split(QString("="), QString::SkipEmptyParts)[1].toInt();
if ((cur_agl_size == num_mol) || (num_mol == 0))
{
agl_output = workDir + QString("/temp_agl.agl");
QFile f_out(agl_output);
if (!f_out.open(QIODevice::WriteOnly | QIODevice::Text))
{
errorwin->set_message(9);
errorwin->show();
return;
}
QTextStream out(&f_out);
out << tmp_str;
for (int i=0; i<cur_agl_size; i++)
{
tmp_str = QString(inp_agl.readLine());
out << tmp_str;
}
f_out.close();
// start event
agl_num++;
start_agl_event(agl_output, cur_file_name, QString(cell),
output + QString("_") + QString::number(cur_file) +
QString("_") + QString::number(agl_num) + QString(".pdb"));
}
}
tmp_str = QString(inp_agl.readLine());
}
inp_agl.close();
ui->statusbar->showMessage(QApplication::translate("AglAll", "Done"));
delete errorwin;
}
void AglAllWindow::start_agl_event(QString aglfile, QString trjfile, QString cellsize, QString out_file)
{
QString command;
command.append(_mm_agl_path);
command.append(" -a " + aglfile);
command.append(" -i " + trjfile);
command.append(" -c " + cellsize);
command.append(" -o " + out_file);
command.append(" -q");
system(command.toStdString().c_str());
}

21
mathmech/aglallwindow.h
View File

@ -3,6 +3,8 @@
#include <QMainWindow>
class ErrorWindow;
namespace Ui {
class AglAllWindow;
}
@ -12,11 +14,26 @@ class AglAllWindow : public QMainWindow
Q_OBJECT
public:
explicit AglAllWindow(QWidget *parent = 0);
explicit AglAllWindow(QWidget *parent = 0, QString mm_agl_path = "");
~AglAllWindow();
private slots:
void on_aglall_pushButton_clear_clicked();
void on_aglall_pushButton_workDir_clicked();
void on_pdb_pushButton_input_clicked();
void on_aglall_pushButton_output_clicked();
void on_aglall_pushButton_start_clicked();
private:
Ui::AglAllWindow *ui;
ErrorWindow *errorwin;
QString _mm_agl_path;
void start_agl();
void start_agl_event(QString aglfile, QString trjfile,
QString cellsize, QString out_file);
// ESC pressed event
void keyPressEvent(QKeyEvent *pressedKey);
};
#endif // AGLALLWINDOW_H
#endif /* AGLALLWINDOW_H */

341
mathmech/aglallwindow.ui
View File

@ -6,16 +6,347 @@
<rect>
<x>0</x>
<y>0</y>
<width>240</width>
<height>320</height>
<width>502</width>
<height>260</height>
</rect>
</property>
<property name="windowTitle">
<string>MainWindow</string>
<string>agl_all</string>
</property>
<widget class="QWidget" name="centralwidget"/>
<widget class="QWidget" name="centralwidget">
<layout class="QVBoxLayout" name="verticalLayout">
<item>
<layout class="QHBoxLayout" name="aglall_layout_workDir">
<item>
<widget class="QLabel" name="aglall_label_workDir">
<property name="minimumSize">
<size>
<width>110</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Work directory</string>
</property>
</widget>
</item>
<item>
<widget class="QLineEdit" name="aglall_lineEdit_workDir">
<property name="minimumSize">
<size>
<width>280</width>
<height>23</height>
</size>
</property>
</widget>
</item>
<item>
<widget class="QPushButton" name="aglall_pushButton_workDir">
<property name="minimumSize">
<size>
<width>80</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Browse</string>
</property>
<property name="autoDefault">
<bool>true</bool>
</property>
</widget>
</item>
</layout>
</item>
<item>
<layout class="QHBoxLayout" name="aglall_layout_input">
<item>
<widget class="QLabel" name="aglall_label_input">
<property name="minimumSize">
<size>
<width>110</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Input file</string>
</property>
</widget>
</item>
<item>
<widget class="QLineEdit" name="aglall_lineEdit_input">
<property name="minimumSize">
<size>
<width>280</width>
<height>23</height>
</size>
</property>
</widget>
</item>
<item>
<widget class="QPushButton" name="pdb_pushButton_input">
<property name="minimumSize">
<size>
<width>80</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Browse</string>
</property>
<property name="autoDefault">
<bool>true</bool>
</property>
</widget>
</item>
</layout>
</item>
<item>
<layout class="QHBoxLayout" name="aglall_layout_output">
<item>
<widget class="QLabel" name="aglall_label_output">
<property name="minimumSize">
<size>
<width>110</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Mask of output files</string>
</property>
</widget>
</item>
<item>
<widget class="QLineEdit" name="aglall_lineEdit_output">
<property name="minimumSize">
<size>
<width>280</width>
<height>23</height>
</size>
</property>
</widget>
</item>
<item>
<widget class="QPushButton" name="aglall_pushButton_output">
<property name="minimumSize">
<size>
<width>80</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Browse</string>
</property>
<property name="autoDefault">
<bool>true</bool>
</property>
</widget>
</item>
</layout>
</item>
<item>
<layout class="QHBoxLayout" name="aglall_layout_num">
<item>
<widget class="QLabel" name="aglall_label_file">
<property name="minimumSize">
<size>
<width>110</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>File</string>
</property>
</widget>
</item>
<item>
<widget class="QSpinBox" name="aglall_spinBox_file">
<property name="minimumSize">
<size>
<width>75</width>
<height>23</height>
</size>
</property>
<property name="alignment">
<set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
</property>
<property name="maximum">
<number>999</number>
</property>
</widget>
</item>
<item>
<spacer name="horizontalSpacer">
<property name="orientation">
<enum>Qt::Horizontal</enum>
</property>
<property name="sizeHint" stdset="0">
<size>
<width>40</width>
<height>20</height>
</size>
</property>
</spacer>
</item>
<item>
<widget class="QLabel" name="aglall_label_num">
<property name="minimumSize">
<size>
<width>150</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Number of molecules</string>
</property>
</widget>
</item>
<item>
<widget class="QSpinBox" name="aglall_spinBox_num">
<property name="minimumSize">
<size>
<width>75</width>
<height>23</height>
</size>
</property>
<property name="alignment">
<set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
</property>
</widget>
</item>
<item>
<spacer name="horizontalSpacer_2">
<property name="orientation">
<enum>Qt::Horizontal</enum>
</property>
<property name="sizeHint" stdset="0">
<size>
<width>40</width>
<height>20</height>
</size>
</property>
</spacer>
</item>
</layout>
</item>
<item>
<spacer name="verticalSpacer">
<property name="orientation">
<enum>Qt::Vertical</enum>
</property>
<property name="sizeHint" stdset="0">
<size>
<width>20</width>
<height>40</height>
</size>
</property>
</spacer>
</item>
<item>
<layout class="QHBoxLayout" name="aglall_layout_buttons">
<item>
<widget class="QPushButton" name="aglall_pushButton_clear">
<property name="minimumSize">
<size>
<width>80</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Clear</string>
</property>
<property name="autoDefault">
<bool>true</bool>
</property>
</widget>
</item>
<item>
<spacer name="horizontalSpacer_15">
<property name="orientation">
<enum>Qt::Horizontal</enum>
</property>
<property name="sizeHint" stdset="0">
<size>
<width>40</width>
<height>20</height>
</size>
</property>
</spacer>
</item>
<item>
<widget class="QPushButton" name="aglall_pushButton_start">
<property name="minimumSize">
<size>
<width>80</width>
<height>23</height>
</size>
</property>
<property name="maximumSize">
<size>
<width>16777215</width>
<height>16777215</height>
</size>
</property>
<property name="text">
<string>Start</string>
</property>
<property name="autoDefault">
<bool>true</bool>
</property>
</widget>
</item>
<item>
<widget class="QPushButton" name="aglall_pushButton_close">
<property name="minimumSize">
<size>
<width>80</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Close</string>
</property>
<property name="autoDefault">
<bool>true</bool>
</property>
</widget>
</item>
</layout>
</item>
</layout>
</widget>
<widget class="QStatusBar" name="statusbar"/>
</widget>
<tabstops>
<tabstop>aglall_lineEdit_workDir</tabstop>
<tabstop>aglall_pushButton_workDir</tabstop>
<tabstop>aglall_lineEdit_input</tabstop>
<tabstop>pdb_pushButton_input</tabstop>
<tabstop>aglall_lineEdit_output</tabstop>
<tabstop>aglall_pushButton_output</tabstop>
<tabstop>aglall_spinBox_file</tabstop>
<tabstop>aglall_spinBox_num</tabstop>
<tabstop>aglall_pushButton_clear</tabstop>
<tabstop>aglall_pushButton_start</tabstop>
<tabstop>aglall_pushButton_close</tabstop>
</tabstops>
<resources/>
<connections/>
<connections>
<connection>
<sender>aglall_pushButton_close</sender>
<signal>clicked()</signal>
<receiver>AglAllWindow</receiver>
<slot>close()</slot>
<hints>
<hint type="sourcelabel">
<x>462</x>
<y>225</y>
</hint>
<hint type="destinationlabel">
<x>495</x>
<y>224</y>
</hint>
</hints>
</connection>
</connections>
</ui>

5
mathmech/atomtypeswindow.cpp
View File

@ -3,12 +3,11 @@
#include <QKeyEvent>
#include <QTextStream>
#include "errorwindow.h"
#include "atomtypeswindow.h"
#include "ui_atomtypeswindow.h"
#include "errorwindow.h"
#include "ui_errorwindow.h"
AtomTypesWindow::AtomTypesWindow(QWidget *parent) :
QMainWindow(parent),
ui(new Ui::AtomTypesWindow)

4
mathmech/clear_items.cpp
View File

@ -43,6 +43,9 @@ void Clear_items::clear_statgen()
parent->ui->statgen_spinBox_depth->setValue(10);
parent->ui->statgen_checkBox_log->setCheckState(Qt::Checked);
parent->ui->statgen_lineEdit_log->clear();
parent->ui->statgen_checkBox_anal->setCheckState(Qt::Unchecked);
parent->ui->statgen_doubleSpinBox_anal->setValue(0.05);
parent->ui->statgen_checkBox_graph->setCheckState(Qt::Checked);
}
void Clear_items::clear_envir()
@ -86,6 +89,7 @@ void Clear_items::clear_radf()
parent->ui->radf_checkBox_matrix->setCheckState(Qt::Unchecked);
parent->ui->radf_checkBox_log->setCheckState(Qt::Checked);
parent->ui->radf_lineEdit_log->clear();
parent->ui->radf_checkBox_graph->setCheckState(Qt::Checked);
}
void Clear_items::clear_pdb()

65
mathmech/mainwindow.cpp
View File

@ -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();
}

5
mathmech/mainwindow.h
View File

@ -5,7 +5,6 @@
class Clear_items;
class SettingsWindow;
class Start_events;
class Update_fields;
namespace Ui {
@ -35,6 +34,7 @@ private slots:
void on_statgen_checkBox_atoms1_stateChanged(int arg1);
void on_statgen_checkBox_atoms2_stateChanged(int arg1);
void on_statgen_checkBox_atoms3_stateChanged(int arg1);
void on_statgen_checkBox_anal_stateChanged(int arg1);
void on_envir_checkBox_log_stateChanged(int arg1);
void on_radf_comboBox_atom_currentIndexChanged(int index);
void on_radf_checkBox_ang_stateChanged(int arg1);
@ -89,6 +89,7 @@ private slots:
void createAgglFile();
void aboutWin();
void settingsWinShow();
void aglallWinShow();
private:
Ui::MainWindow *ui;
@ -97,8 +98,6 @@ private:
Clear_items *clear_items;
friend class Clear_items;
Start_events *start_events;
friend class Start_events;
Update_fields *update_fields;
friend class Update_fields;

111
mathmech/mainwindow.ui
View File

@ -14,8 +14,8 @@
<string>Mathematical Molecular Mechanics</string>
</property>
<widget class="QWidget" name="centralWidget">
<layout class="QGridLayout" name="gridLayout">
<item row="0" column="1">
<layout class="QVBoxLayout" name="verticalLayout_2">
<item>
<widget class="QTabWidget" name="tabWidget">
<property name="currentIndex">
<number>0</number>
@ -447,7 +447,7 @@
<attribute name="title">
<string>Agglomeration</string>
</attribute>
<layout class="QVBoxLayout" name="verticalLayout_2">
<layout class="QVBoxLayout" name="verticalLayout_6">
<item>
<layout class="QHBoxLayout" name="statgen_layout_workDir">
<item>
@ -1205,6 +1205,90 @@
</item>
</layout>
</item>
<item>
<layout class="QHBoxLayout" name="statgen_layout_out_3">
<item>
<widget class="QCheckBox" name="statgen_checkBox_anal">
<property name="minimumSize">
<size>
<width>110</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Analysis</string>
</property>
</widget>
</item>
<item>
<widget class="QDoubleSpinBox" name="statgen_doubleSpinBox_anal">
<property name="enabled">
<bool>false</bool>
</property>
<property name="minimumSize">
<size>
<width>80</width>
<height>23</height>
</size>
</property>
<property name="alignment">
<set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
</property>
<property name="maximum">
<double>1.000000000000000</double>
</property>
<property name="singleStep">
<double>0.100000000000000</double>
</property>
<property name="value">
<double>0.050000000000000</double>
</property>
</widget>
</item>
<item>
<spacer name="horizontalSpacer_16">
<property name="orientation">
<enum>Qt::Horizontal</enum>
</property>
<property name="sizeHint" stdset="0">
<size>
<width>40</width>
<height>20</height>
</size>
</property>
</spacer>
</item>
<item>
<widget class="QCheckBox" name="statgen_checkBox_graph">
<property name="minimumSize">
<size>
<width>110</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Graph</string>
</property>
<property name="checked">
<bool>true</bool>
</property>
</widget>
</item>
<item>
<spacer name="horizontalSpacer_17">
<property name="orientation">
<enum>Qt::Horizontal</enum>
</property>
<property name="sizeHint" stdset="0">
<size>
<width>40</width>
<height>20</height>
</size>
</property>
</spacer>
</item>
</layout>
</item>
<item>
<layout class="QHBoxLayout" name="statgen_layout_buttons">
<item>
@ -1236,22 +1320,6 @@
</property>
</spacer>
</item>
<item>
<widget class="QCheckBox" name="statgen_checkBox_graph">
<property name="minimumSize">
<size>
<width>80</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Graph</string>
</property>
<property name="checked">
<bool>true</bool>
</property>
</widget>
</item>
<item>
<widget class="QPushButton" name="statgen_pushButton_start">
<property name="minimumSize">
@ -3364,7 +3432,6 @@
<string>&amp;Tools</string>
</property>
<addaction name="actionAgl_all"/>
<addaction name="actionStatgen_all"/>
</widget>
<addaction name="menuFile_creator"/>
<addaction name="menu_Tools"/>
@ -3487,8 +3554,10 @@
<tabstop>statgen_checkBox_log</tabstop>
<tabstop>statgen_lineEdit_log</tabstop>
<tabstop>statgen_pushButton_log</tabstop>
<tabstop>statgen_pushButton_clear</tabstop>
<tabstop>statgen_checkBox_anal</tabstop>
<tabstop>statgen_doubleSpinBox_anal</tabstop>
<tabstop>statgen_checkBox_graph</tabstop>
<tabstop>statgen_pushButton_clear</tabstop>
<tabstop>statgen_pushButton_start</tabstop>
<tabstop>envir_lineEdit_workDir</tabstop>
<tabstop>envir_pushButton_workDir</tabstop>

BIN
mathmech/mathmech
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Binary file not shown.

2
mathmech/mathmech.pro.user
View File

@ -1,6 +1,6 @@
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE QtCreatorProject>
<!-- Written by QtCreator 2.8.0, 2013-08-10T03:52:23. -->
<!-- Written by QtCreator 2.8.0, 2013-08-10T04:57:48. -->
<qtcreator>
<data>
<variable>ProjectExplorer.Project.ActiveTarget</variable>

80
mathmech/moc_aboutwindow.cpp Normal file
View File

@ -0,0 +1,80 @@
/****************************************************************************
** Meta object code from reading C++ file 'aboutwindow.h'
**
** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5)
**
** WARNING! All changes made in this file will be lost!
*****************************************************************************/
#include "aboutwindow.h"
#if !defined(Q_MOC_OUTPUT_REVISION)
#error "The header file 'aboutwindow.h' doesn't include <QObject>."
#elif Q_MOC_OUTPUT_REVISION != 63
#error "This file was generated using the moc from 4.8.5. It"
#error "cannot be used with the include files from this version of Qt."
#error "(The moc has changed too much.)"
#endif
QT_BEGIN_MOC_NAMESPACE
static const uint qt_meta_data_AboutWindow[] = {
// content:
6, // revision
0, // classname
0, 0, // classinfo
0, 0, // methods
0, 0, // properties
0, 0, // enums/sets
0, 0, // constructors
0, // flags
0, // signalCount
0 // eod
};
static const char qt_meta_stringdata_AboutWindow[] = {
"AboutWindow\0"
};
void AboutWindow::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a)
{
Q_UNUSED(_o);
Q_UNUSED(_id);
Q_UNUSED(_c);
Q_UNUSED(_a);
}
const QMetaObjectExtraData AboutWindow::staticMetaObjectExtraData = {
0, qt_static_metacall
};
const QMetaObject AboutWindow::staticMetaObject = {
{ &QMainWindow::staticMetaObject, qt_meta_stringdata_AboutWindow,
qt_meta_data_AboutWindow, &staticMetaObjectExtraData }
};
#ifdef Q_NO_DATA_RELOCATION
const QMetaObject &AboutWindow::getStaticMetaObject() { return staticMetaObject; }
#endif //Q_NO_DATA_RELOCATION
const QMetaObject *AboutWindow::metaObject() const
{
return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject;
}
void *AboutWindow::qt_metacast(const char *_clname)
{
if (!_clname) return 0;
if (!strcmp(_clname, qt_meta_stringdata_AboutWindow))
return static_cast<void*>(const_cast< AboutWindow*>(this));
return QMainWindow::qt_metacast(_clname);
}
int AboutWindow::qt_metacall(QMetaObject::Call _c, int _id, void **_a)
{
_id = QMainWindow::qt_metacall(_c, _id, _a);
if (_id < 0)
return _id;
return _id;
}
QT_END_MOC_NAMESPACE

110
mathmech/moc_agglwindow.cpp Normal file
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@ -0,0 +1,110 @@
/****************************************************************************
** Meta object code from reading C++ file 'agglwindow.h'
**
** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5)
**
** WARNING! All changes made in this file will be lost!
*****************************************************************************/
#include "agglwindow.h"
#if !defined(Q_MOC_OUTPUT_REVISION)
#error "The header file 'agglwindow.h' doesn't include <QObject>."
#elif Q_MOC_OUTPUT_REVISION != 63
#error "This file was generated using the moc from 4.8.5. It"
#error "cannot be used with the include files from this version of Qt."
#error "(The moc has changed too much.)"
#endif
QT_BEGIN_MOC_NAMESPACE
static const uint qt_meta_data_AgglWindow[] = {
// content:
6, // revision
0, // classname
0, 0, // classinfo
7, 14, // methods
0, 0, // properties
0, 0, // enums/sets
0, 0, // constructors
0, // flags
0, // signalCount
// slots: signature, parameters, type, tag, flags
12, 11, 11, 11, 0x08,
46, 11, 11, 11, 0x08,
76, 70, 11, 11, 0x08,
117, 11, 11, 11, 0x08,
151, 11, 11, 11, 0x08,
186, 11, 11, 11, 0x08,
220, 11, 11, 11, 0x08,
0 // eod
};
static const char qt_meta_stringdata_AgglWindow[] = {
"AgglWindow\0\0on_agl_pushButton_input_clicked()\0"
"on_pushButton_clicked()\0index\0"
"on_agl_comboBox_currentIndexChanged(int)\0"
"on_agl_listWidget_itemActivated()\0"
"on_agl_pushButton_output_clicked()\0"
"on_agl_pushButton_clear_clicked()\0"
"on_agl_pushButton_create_clicked()\0"
};
void AgglWindow::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a)
{
if (_c == QMetaObject::InvokeMetaMethod) {
Q_ASSERT(staticMetaObject.cast(_o));
AgglWindow *_t = static_cast<AgglWindow *>(_o);
switch (_id) {
case 0: _t->on_agl_pushButton_input_clicked(); break;
case 1: _t->on_pushButton_clicked(); break;
case 2: _t->on_agl_comboBox_currentIndexChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 3: _t->on_agl_listWidget_itemActivated(); break;
case 4: _t->on_agl_pushButton_output_clicked(); break;
case 5: _t->on_agl_pushButton_clear_clicked(); break;
case 6: _t->on_agl_pushButton_create_clicked(); break;
default: ;
}
}
}
const QMetaObjectExtraData AgglWindow::staticMetaObjectExtraData = {
0, qt_static_metacall
};
const QMetaObject AgglWindow::staticMetaObject = {
{ &QMainWindow::staticMetaObject, qt_meta_stringdata_AgglWindow,
qt_meta_data_AgglWindow, &staticMetaObjectExtraData }
};
#ifdef Q_NO_DATA_RELOCATION
const QMetaObject &AgglWindow::getStaticMetaObject() { return staticMetaObject; }
#endif //Q_NO_DATA_RELOCATION
const QMetaObject *AgglWindow::metaObject() const
{
return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject;
}
void *AgglWindow::qt_metacast(const char *_clname)
{
if (!_clname) return 0;
if (!strcmp(_clname, qt_meta_stringdata_AgglWindow))
return static_cast<void*>(const_cast< AgglWindow*>(this));
return QMainWindow::qt_metacast(_clname);
}
int AgglWindow::qt_metacall(QMetaObject::Call _c, int _id, void **_a)
{
_id = QMainWindow::qt_metacall(_c, _id, _a);
if (_id < 0)
return _id;
if (_c == QMetaObject::InvokeMetaMethod) {
if (_id < 7)
qt_static_metacall(this, _c, _id, _a);
_id -= 7;
}
return _id;
}
QT_END_MOC_NAMESPACE

105
mathmech/moc_aglallwindow.cpp Normal file
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@ -0,0 +1,105 @@
/****************************************************************************
** Meta object code from reading C++ file 'aglallwindow.h'
**
** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5)
**
** WARNING! All changes made in this file will be lost!
*****************************************************************************/
#include "aglallwindow.h"
#if !defined(Q_MOC_OUTPUT_REVISION)
#error "The header file 'aglallwindow.h' doesn't include <QObject>."
#elif Q_MOC_OUTPUT_REVISION != 63
#error "This file was generated using the moc from 4.8.5. It"
#error "cannot be used with the include files from this version of Qt."
#error "(The moc has changed too much.)"
#endif
QT_BEGIN_MOC_NAMESPACE
static const uint qt_meta_data_AglAllWindow[] = {
// content:
6, // revision
0, // classname
0, 0, // classinfo
5, 14, // methods
0, 0, // properties
0, 0, // enums/sets
0, 0, // constructors
0, // flags
0, // signalCount
// slots: signature, parameters, type, tag, flags
14, 13, 13, 13, 0x08,
51, 13, 13, 13, 0x08,
90, 13, 13, 13, 0x08,
124, 13, 13, 13, 0x08,
162, 13, 13, 13, 0x08,
0 // eod
};
static const char qt_meta_stringdata_AglAllWindow[] = {
"AglAllWindow\0\0on_aglall_pushButton_clear_clicked()\0"
"on_aglall_pushButton_workDir_clicked()\0"
"on_pdb_pushButton_input_clicked()\0"
"on_aglall_pushButton_output_clicked()\0"
"on_aglall_pushButton_start_clicked()\0"
};
void AglAllWindow::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a)
{
if (_c == QMetaObject::InvokeMetaMethod) {
Q_ASSERT(staticMetaObject.cast(_o));
AglAllWindow *_t = static_cast<AglAllWindow *>(_o);
switch (_id) {
case 0: _t->on_aglall_pushButton_clear_clicked(); break;
case 1: _t->on_aglall_pushButton_workDir_clicked(); break;
case 2: _t->on_pdb_pushButton_input_clicked(); break;
case 3: _t->on_aglall_pushButton_output_clicked(); break;
case 4: _t->on_aglall_pushButton_start_clicked(); break;
default: ;
}
}
Q_UNUSED(_a);
}
const QMetaObjectExtraData AglAllWindow::staticMetaObjectExtraData = {
0, qt_static_metacall
};
const QMetaObject AglAllWindow::staticMetaObject = {
{ &QMainWindow::staticMetaObject, qt_meta_stringdata_AglAllWindow,
qt_meta_data_AglAllWindow, &staticMetaObjectExtraData }
};
#ifdef Q_NO_DATA_RELOCATION
const QMetaObject &AglAllWindow::getStaticMetaObject() { return staticMetaObject; }
#endif //Q_NO_DATA_RELOCATION
const QMetaObject *AglAllWindow::metaObject() const
{
return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject;
}
void *AglAllWindow::qt_metacast(const char *_clname)
{
if (!_clname) return 0;
if (!strcmp(_clname, qt_meta_stringdata_AglAllWindow))
return static_cast<void*>(const_cast< AglAllWindow*>(this));
return QMainWindow::qt_metacast(_clname);
}
int AglAllWindow::qt_metacall(QMetaObject::Call _c, int _id, void **_a)
{
_id = QMainWindow::qt_metacall(_c, _id, _a);
if (_id < 0)
return _id;
if (_c == QMetaObject::InvokeMetaMethod) {
if (_id < 5)
qt_static_metacall(this, _c, _id, _a);
_id -= 5;
}
return _id;
}
QT_END_MOC_NAMESPACE

111
mathmech/moc_atomtypeswindow.cpp Normal file
View File

@ -0,0 +1,111 @@
/****************************************************************************
** Meta object code from reading C++ file 'atomtypeswindow.h'
**
** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5)
**
** WARNING! All changes made in this file will be lost!
*****************************************************************************/
#include "atomtypeswindow.h"
#if !defined(Q_MOC_OUTPUT_REVISION)
#error "The header file 'atomtypeswindow.h' doesn't include <QObject>."
#elif Q_MOC_OUTPUT_REVISION != 63
#error "This file was generated using the moc from 4.8.5. It"
#error "cannot be used with the include files from this version of Qt."
#error "(The moc has changed too much.)"
#endif
QT_BEGIN_MOC_NAMESPACE
static const uint qt_meta_data_AtomTypesWindow[] = {
// content:
6, // revision
0, // classname
0, 0, // classinfo
7, 14, // methods
0, 0, // properties
0, 0, // enums/sets
0, 0, // constructors
0, // flags
0, // signalCount
// slots: signature, parameters, type, tag, flags
17, 16, 16, 16, 0x08,
58, 16, 16, 16, 0x08,
96, 16, 16, 16, 0x08,
138, 16, 16, 16, 0x08,
178, 16, 16, 16, 0x08,
232, 226, 16, 16, 0x08,
283, 16, 16, 16, 0x08,
0 // eod
};
static const char qt_meta_stringdata_AtomTypesWindow[] = {
"AtomTypesWindow\0\0"
"on_atomTypes_pushButton_output_clicked()\0"
"on_atomTypes_pushButton_add_clicked()\0"
"on_atomTypes_pushButton_typeRem_clicked()\0"
"on_atomTypes_pushButton_clear_clicked()\0"
"on_atomTypes_spinBox_numOfMol_editingFinished()\0"
"index\0on_atomTypes_comboBox_mol_currentIndexChanged(int)\0"
"on_atomTypes_pushButton_create_clicked()\0"
};
void AtomTypesWindow::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a)
{
if (_c == QMetaObject::InvokeMetaMethod) {
Q_ASSERT(staticMetaObject.cast(_o));
AtomTypesWindow *_t = static_cast<AtomTypesWindow *>(_o);
switch (_id) {
case 0: _t->on_atomTypes_pushButton_output_clicked(); break;
case 1: _t->on_atomTypes_pushButton_add_clicked(); break;
case 2: _t->on_atomTypes_pushButton_typeRem_clicked(); break;
case 3: _t->on_atomTypes_pushButton_clear_clicked(); break;
case 4: _t->on_atomTypes_spinBox_numOfMol_editingFinished(); break;
case 5: _t->on_atomTypes_comboBox_mol_currentIndexChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 6: _t->on_atomTypes_pushButton_create_clicked(); break;
default: ;
}
}
}
const QMetaObjectExtraData AtomTypesWindow::staticMetaObjectExtraData = {
0, qt_static_metacall
};
const QMetaObject AtomTypesWindow::staticMetaObject = {
{ &QMainWindow::staticMetaObject, qt_meta_stringdata_AtomTypesWindow,
qt_meta_data_AtomTypesWindow, &staticMetaObjectExtraData }
};
#ifdef Q_NO_DATA_RELOCATION
const QMetaObject &AtomTypesWindow::getStaticMetaObject() { return staticMetaObject; }
#endif //Q_NO_DATA_RELOCATION
const QMetaObject *AtomTypesWindow::metaObject() const
{
return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject;
}
void *AtomTypesWindow::qt_metacast(const char *_clname)
{
if (!_clname) return 0;
if (!strcmp(_clname, qt_meta_stringdata_AtomTypesWindow))
return static_cast<void*>(const_cast< AtomTypesWindow*>(this));
return QMainWindow::qt_metacast(_clname);
}
int AtomTypesWindow::qt_metacall(QMetaObject::Call _c, int _id, void **_a)
{
_id = QMainWindow::qt_metacall(_c, _id, _a);
if (_id < 0)
return _id;
if (_c == QMetaObject::InvokeMetaMethod) {
if (_id < 7)
qt_static_metacall(this, _c, _id, _a);
_id -= 7;
}
return _id;
}
QT_END_MOC_NAMESPACE

80
mathmech/moc_clear_items.cpp Normal file
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@ -0,0 +1,80 @@
/****************************************************************************
** Meta object code from reading C++ file 'clear_items.h'
**
** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5)
**
** WARNING! All changes made in this file will be lost!
*****************************************************************************/
#include "clear_items.h"
#if !defined(Q_MOC_OUTPUT_REVISION)
#error "The header file 'clear_items.h' doesn't include <QObject>."
#elif Q_MOC_OUTPUT_REVISION != 63
#error "This file was generated using the moc from 4.8.5. It"
#error "cannot be used with the include files from this version of Qt."
#error "(The moc has changed too much.)"
#endif
QT_BEGIN_MOC_NAMESPACE
static const uint qt_meta_data_Clear_items[] = {
// content:
6, // revision
0, // classname
0, 0, // classinfo
0, 0, // methods
0, 0, // properties
0, 0, // enums/sets
0, 0, // constructors
0, // flags
0, // signalCount
0 // eod
};
static const char qt_meta_stringdata_Clear_items[] = {
"Clear_items\0"
};
void Clear_items::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a)
{
Q_UNUSED(_o);
Q_UNUSED(_id);
Q_UNUSED(_c);
Q_UNUSED(_a);
}
const QMetaObjectExtraData Clear_items::staticMetaObjectExtraData = {
0, qt_static_metacall
};
const QMetaObject Clear_items::staticMetaObject = {
{ &QWidget::staticMetaObject, qt_meta_stringdata_Clear_items,
qt_meta_data_Clear_items, &staticMetaObjectExtraData }
};
#ifdef Q_NO_DATA_RELOCATION
const QMetaObject &Clear_items::getStaticMetaObject() { return staticMetaObject; }
#endif //Q_NO_DATA_RELOCATION
const QMetaObject *Clear_items::metaObject() const
{
return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject;
}
void *Clear_items::qt_metacast(const char *_clname)
{
if (!_clname) return 0;
if (!strcmp(_clname, qt_meta_stringdata_Clear_items))
return static_cast<void*>(const_cast< Clear_items*>(this));
return QWidget::qt_metacast(_clname);
}
int Clear_items::qt_metacall(QMetaObject::Call _c, int _id, void **_a)
{
_id = QWidget::qt_metacall(_c, _id, _a);
if (_id < 0)
return _id;
return _id;
}
QT_END_MOC_NAMESPACE

80
mathmech/moc_errorwindow.cpp Normal file
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@ -0,0 +1,80 @@
/****************************************************************************
** Meta object code from reading C++ file 'errorwindow.h'
**
** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5)
**
** WARNING! All changes made in this file will be lost!
*****************************************************************************/
#include "errorwindow.h"
#if !defined(Q_MOC_OUTPUT_REVISION)
#error "The header file 'errorwindow.h' doesn't include <QObject>."
#elif Q_MOC_OUTPUT_REVISION != 63
#error "This file was generated using the moc from 4.8.5. It"
#error "cannot be used with the include files from this version of Qt."
#error "(The moc has changed too much.)"
#endif
QT_BEGIN_MOC_NAMESPACE
static const uint qt_meta_data_ErrorWindow[] = {
// content:
6, // revision
0, // classname
0, 0, // classinfo
0, 0, // methods
0, 0, // properties
0, 0, // enums/sets
0, 0, // constructors
0, // flags
0, // signalCount
0 // eod
};
static const char qt_meta_stringdata_ErrorWindow[] = {
"ErrorWindow\0"
};
void ErrorWindow::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a)
{
Q_UNUSED(_o);
Q_UNUSED(_id);
Q_UNUSED(_c);
Q_UNUSED(_a);
}
const QMetaObjectExtraData ErrorWindow::staticMetaObjectExtraData = {
0, qt_static_metacall
};
const QMetaObject ErrorWindow::staticMetaObject = {
{ &QMainWindow::staticMetaObject, qt_meta_stringdata_ErrorWindow,
qt_meta_data_ErrorWindow, &staticMetaObjectExtraData }
};
#ifdef Q_NO_DATA_RELOCATION
const QMetaObject &ErrorWindow::getStaticMetaObject() { return staticMetaObject; }
#endif //Q_NO_DATA_RELOCATION
const QMetaObject *ErrorWindow::metaObject() const
{
return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject;
}
void *ErrorWindow::qt_metacast(const char *_clname)
{
if (!_clname) return 0;
if (!strcmp(_clname, qt_meta_stringdata_ErrorWindow))
return static_cast<void*>(const_cast< ErrorWindow*>(this));
return QMainWindow::qt_metacast(_clname);
}
int ErrorWindow::qt_metacall(QMetaObject::Call _c, int _id, void **_a)
{
_id = QMainWindow::qt_metacall(_c, _id, _a);
if (_id < 0)
return _id;
return _id;
}
QT_END_MOC_NAMESPACE

255
mathmech/moc_mainwindow.cpp Normal file
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@ -0,0 +1,255 @@
/****************************************************************************
** Meta object code from reading C++ file 'mainwindow.h'
**
** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5)
**
** WARNING! All changes made in this file will be lost!
*****************************************************************************/
#include "mainwindow.h"
#if !defined(Q_MOC_OUTPUT_REVISION)
#error "The header file 'mainwindow.h' doesn't include <QObject>."
#elif Q_MOC_OUTPUT_REVISION != 63
#error "This file was generated using the moc from 4.8.5. It"
#error "cannot be used with the include files from this version of Qt."
#error "(The moc has changed too much.)"
#endif
QT_BEGIN_MOC_NAMESPACE
static const uint qt_meta_data_MainWindow[] = {
// content:
6, // revision
0, // classname
0, 0, // classinfo
56, 14, // methods
0, 0, // properties
0, 0, // enums/sets
0, 0, // constructors
0, // flags
0, // signalCount
// slots: signature, parameters, type, tag, flags
17, 12, 11, 11, 0x08,
55, 12, 11, 11, 0x08,
99, 12, 11, 11, 0x08,
141, 12, 11, 11, 0x08,
186, 12, 11, 11, 0x08,
231, 12, 11, 11, 0x08,
276, 12, 11, 11, 0x08,
319, 12, 11, 11, 0x08,
365, 359, 11, 11, 0x08,
412, 12, 11, 11, 0x08,
451, 12, 11, 11, 0x08,
490, 359, 11, 11, 0x08,
536, 12, 11, 11, 0x08,
574, 11, 11, 11, 0x08,
610, 11, 11, 11, 0x08,
644, 11, 11, 11, 0x08,
678, 11, 11, 11, 0x08,
713, 11, 11, 11, 0x08,
745, 11, 11, 11, 0x08,
785, 11, 11, 11, 0x08,
823, 11, 11, 11, 0x08,
862, 11, 11, 11, 0x08,
898, 11, 11, 11, 0x08,
936, 11, 11, 11, 0x08,
972, 11, 11, 11, 0x08,
1009, 11, 11, 11, 0x08,
1043, 11, 11, 11, 0x08,
1080, 11, 11, 11, 0x08,
1115, 11, 11, 11, 0x08,
1151, 11, 11, 11, 0x08,
1184, 11, 11, 11, 0x08,
1220, 11, 11, 11, 0x08,
1254, 11, 11, 11, 0x08,
1286, 11, 11, 11, 0x08,
1321, 11, 11, 11, 0x08,
1353, 11, 11, 11, 0x08,
1387, 11, 11, 11, 0x08,
1425, 11, 11, 11, 0x08,
1461, 11, 11, 11, 0x08,
1496, 11, 11, 11, 0x08,
1530, 359, 11, 11, 0x08,
1579, 11, 11, 11, 0x08,
1618, 11, 11, 11, 0x08,
1665, 11, 11, 11, 0x08,
1704, 11, 11, 11, 0x08,
1742, 11, 11, 11, 0x08,
1776, 11, 11, 11, 0x08,
1814, 11, 11, 11, 0x08,
1850, 11, 11, 11, 0x08,
1885, 11, 11, 11, 0x08,
1919, 359, 11, 11, 0x08,
1952, 11, 11, 11, 0x08,
1970, 11, 11, 11, 0x08,
1987, 11, 11, 11, 0x08,
1998, 11, 11, 11, 0x08,
2016, 11, 11, 11, 0x08,
0 // eod
};
static const char qt_meta_stringdata_MainWindow[] = {
"MainWindow\0\0arg1\0on_trj_checkBox_log_stateChanged(int)\0"
"on_statgen_checkBox_depth_stateChanged(int)\0"
"on_statgen_checkBox_log_stateChanged(int)\0"
"on_statgen_checkBox_atoms1_stateChanged(int)\0"
"on_statgen_checkBox_atoms2_stateChanged(int)\0"
"on_statgen_checkBox_atoms3_stateChanged(int)\0"
"on_statgen_checkBox_anal_stateChanged(int)\0"
"on_envir_checkBox_log_stateChanged(int)\0"
"index\0on_radf_comboBox_atom_currentIndexChanged(int)\0"
"on_radf_checkBox_ang_stateChanged(int)\0"
"on_radf_checkBox_log_stateChanged(int)\0"
"on_pdb_comboBox_mode_currentIndexChanged(int)\0"
"on_pdb_checkBox_log_stateChanged(int)\0"
"on_trj_pushButton_workDir_clicked()\0"
"on_trj_pushButton_input_clicked()\0"
"on_trj_pushButton_atoms_clicked()\0"
"on_trj_pushButton_output_clicked()\0"
"on_trj_pushButton_log_clicked()\0"
"on_statgen_pushButton_workDir_clicked()\0"
"on_statgen_pushButton_input_clicked()\0"
"on_statgen_pushButton_output_clicked()\0"
"on_statgen_pushButton_log_clicked()\0"
"on_envir_pushButton_workDir_clicked()\0"
"on_envir_pushButton_input_clicked()\0"
"on_envir_pushButton_output_clicked()\0"
"on_envir_pushButton_log_clicked()\0"
"on_radf_pushButton_workDir_clicked()\0"
"on_radf_pushButton_input_clicked()\0"
"on_radf_pushButton_output_clicked()\0"
"on_radf_pushButton_log_clicked()\0"
"on_pdb_pushButton_workDir_clicked()\0"
"on_pdb_pushButton_input_clicked()\0"
"on_pdb_pushButton_agl_clicked()\0"
"on_pdb_pushButton_output_clicked()\0"
"on_pdb_pushButton_log_clicked()\0"
"on_trj_pushButton_clear_clicked()\0"
"on_statgen_pushButton_clear_clicked()\0"
"on_envir_pushButton_clear_clicked()\0"
"on_radf_pushButton_clear_clicked()\0"
"on_pdb_pushButton_clear_clicked()\0"
"on_statgen_comboBox_int_currentIndexChanged(int)\0"
"on_stagen_pushButton_intSave_clicked()\0"
"on_statgen_doubleSpinBox_int_editingFinished()\0"
"on_statgen_pushButton_intAdd_clicked()\0"
"on_stagen_pushButton_intRem_clicked()\0"
"on_trj_pushButton_start_clicked()\0"
"on_statgen_pushButton_start_clicked()\0"
"on_envir_pushButton_start_clicked()\0"
"on_radf_pushButton_start_clicked()\0"
"on_pdb_pushButton_start_clicked()\0"
"on_tabWidget_currentChanged(int)\0"
"createAtomTypes()\0createAgglFile()\0"
"aboutWin()\0settingsWinShow()\0"
"aglallWinShow()\0"
};
void MainWindow::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a)
{
if (_c == QMetaObject::InvokeMetaMethod) {
Q_ASSERT(staticMetaObject.cast(_o));
MainWindow *_t = static_cast<MainWindow *>(_o);
switch (_id) {
case 0: _t->on_trj_checkBox_log_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 1: _t->on_statgen_checkBox_depth_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 2: _t->on_statgen_checkBox_log_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 3: _t->on_statgen_checkBox_atoms1_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 4: _t->on_statgen_checkBox_atoms2_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 5: _t->on_statgen_checkBox_atoms3_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 6: _t->on_statgen_checkBox_anal_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 7: _t->on_envir_checkBox_log_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 8: _t->on_radf_comboBox_atom_currentIndexChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 9: _t->on_radf_checkBox_ang_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 10: _t->on_radf_checkBox_log_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 11: _t->on_pdb_comboBox_mode_currentIndexChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 12: _t->on_pdb_checkBox_log_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 13: _t->on_trj_pushButton_workDir_clicked(); break;
case 14: _t->on_trj_pushButton_input_clicked(); break;
case 15: _t->on_trj_pushButton_atoms_clicked(); break;
case 16: _t->on_trj_pushButton_output_clicked(); break;
case 17: _t->on_trj_pushButton_log_clicked(); break;
case 18: _t->on_statgen_pushButton_workDir_clicked(); break;
case 19: _t->on_statgen_pushButton_input_clicked(); break;
case 20: _t->on_statgen_pushButton_output_clicked(); break;
case 21: _t->on_statgen_pushButton_log_clicked(); break;
case 22: _t->on_envir_pushButton_workDir_clicked(); break;
case 23: _t->on_envir_pushButton_input_clicked(); break;
case 24: _t->on_envir_pushButton_output_clicked(); break;
case 25: _t->on_envir_pushButton_log_clicked(); break;
case 26: _t->on_radf_pushButton_workDir_clicked(); break;
case 27: _t->on_radf_pushButton_input_clicked(); break;
case 28: _t->on_radf_pushButton_output_clicked(); break;
case 29: _t->on_radf_pushButton_log_clicked(); break;
case 30: _t->on_pdb_pushButton_workDir_clicked(); break;
case 31: _t->on_pdb_pushButton_input_clicked(); break;
case 32: _t->on_pdb_pushButton_agl_clicked(); break;
case 33: _t->on_pdb_pushButton_output_clicked(); break;
case 34: _t->on_pdb_pushButton_log_clicked(); break;
case 35: _t->on_trj_pushButton_clear_clicked(); break;
case 36: _t->on_statgen_pushButton_clear_clicked(); break;
case 37: _t->on_envir_pushButton_clear_clicked(); break;
case 38: _t->on_radf_pushButton_clear_clicked(); break;
case 39: _t->on_pdb_pushButton_clear_clicked(); break;
case 40: _t->on_statgen_comboBox_int_currentIndexChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 41: _t->on_stagen_pushButton_intSave_clicked(); break;
case 42: _t->on_statgen_doubleSpinBox_int_editingFinished(); break;
case 43: _t->on_statgen_pushButton_intAdd_clicked(); break;
case 44: _t->on_stagen_pushButton_intRem_clicked(); break;
case 45: _t->on_trj_pushButton_start_clicked(); break;
case 46: _t->on_statgen_pushButton_start_clicked(); break;
case 47: _t->on_envir_pushButton_start_clicked(); break;
case 48: _t->on_radf_pushButton_start_clicked(); break;
case 49: _t->on_pdb_pushButton_start_clicked(); break;
case 50: _t->on_tabWidget_currentChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 51: _t->createAtomTypes(); break;
case 52: _t->createAgglFile(); break;
case 53: _t->aboutWin(); break;
case 54: _t->settingsWinShow(); break;
case 55: _t->aglallWinShow(); break;
default: ;
}
}
}
const QMetaObjectExtraData MainWindow::staticMetaObjectExtraData = {
0, qt_static_metacall
};
const QMetaObject MainWindow::staticMetaObject = {
{ &QMainWindow::staticMetaObject, qt_meta_stringdata_MainWindow,
qt_meta_data_MainWindow, &staticMetaObjectExtraData }
};
#ifdef Q_NO_DATA_RELOCATION
const QMetaObject &MainWindow::getStaticMetaObject() { return staticMetaObject; }
#endif //Q_NO_DATA_RELOCATION
const QMetaObject *MainWindow::metaObject() const
{
return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject;
}
void *MainWindow::qt_metacast(const char *_clname)
{
if (!_clname) return 0;
if (!strcmp(_clname, qt_meta_stringdata_MainWindow))
return static_cast<void*>(const_cast< MainWindow*>(this));
return QMainWindow::qt_metacast(_clname);
}
int MainWindow::qt_metacall(QMetaObject::Call _c, int _id, void **_a)
{
_id = QMainWindow::qt_metacall(_c, _id, _a);
if (_id < 0)
return _id;
if (_c == QMetaObject::InvokeMetaMethod) {
if (_id < 56)
qt_static_metacall(this, _c, _id, _a);
_id -= 56;
}
return _id;
}
QT_END_MOC_NAMESPACE

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mathmech/moc_settingswindow.cpp Normal file
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/****************************************************************************
** Meta object code from reading C++ file 'settingswindow.h'
**
** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5)
**
** WARNING! All changes made in this file will be lost!
*****************************************************************************/
#include "settingswindow.h"
#if !defined(Q_MOC_OUTPUT_REVISION)
#error "The header file 'settingswindow.h' doesn't include <QObject>."
#elif Q_MOC_OUTPUT_REVISION != 63
#error "This file was generated using the moc from 4.8.5. It"
#error "cannot be used with the include files from this version of Qt."
#error "(The moc has changed too much.)"
#endif
QT_BEGIN_MOC_NAMESPACE
static const uint qt_meta_data_SettingsWindow[] = {
// content:
6, // revision
0, // classname
0, 0, // classinfo
7, 14, // methods
0, 0, // properties
0, 0, // enums/sets
0, 0, // constructors
0, // flags
0, // signalCount
// slots: signature, parameters, type, tag, flags
16, 15, 15, 15, 0x08,
54, 15, 15, 15, 0x08,
91, 15, 15, 15, 0x08,
132, 15, 15, 15, 0x08,
171, 15, 15, 15, 0x08,
209, 15, 15, 15, 0x08,
250, 15, 15, 15, 0x08,
0 // eod
};
static const char qt_meta_stringdata_SettingsWindow[] = {
"SettingsWindow\0\0on_settings_pushButton_save_clicked()\0"
"on_settings_pushButton_trj_clicked()\0"
"on_settings_pushButton_statgen_clicked()\0"
"on_settings_pushButton_envir_clicked()\0"
"on_settings_pushButton_radf_clicked()\0"
"on_settings_pushButton_trj2pdb_clicked()\0"
"on_settings_pushButton_agl_clicked()\0"
};
void SettingsWindow::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a)
{
if (_c == QMetaObject::InvokeMetaMethod) {
Q_ASSERT(staticMetaObject.cast(_o));
SettingsWindow *_t = static_cast<SettingsWindow *>(_o);
switch (_id) {
case 0: _t->on_settings_pushButton_save_clicked(); break;
case 1: _t->on_settings_pushButton_trj_clicked(); break;
case 2: _t->on_settings_pushButton_statgen_clicked(); break;
case 3: _t->on_settings_pushButton_envir_clicked(); break;
case 4: _t->on_settings_pushButton_radf_clicked(); break;
case 5: _t->on_settings_pushButton_trj2pdb_clicked(); break;
case 6: _t->on_settings_pushButton_agl_clicked(); break;
default: ;
}
}
Q_UNUSED(_a);
}
const QMetaObjectExtraData SettingsWindow::staticMetaObjectExtraData = {
0, qt_static_metacall
};
const QMetaObject SettingsWindow::staticMetaObject = {
{ &QMainWindow::staticMetaObject, qt_meta_stringdata_SettingsWindow,
qt_meta_data_SettingsWindow, &staticMetaObjectExtraData }
};
#ifdef Q_NO_DATA_RELOCATION
const QMetaObject &SettingsWindow::getStaticMetaObject() { return staticMetaObject; }
#endif //Q_NO_DATA_RELOCATION
const QMetaObject *SettingsWindow::metaObject() const
{
return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject;
}
void *SettingsWindow::qt_metacast(const char *_clname)
{
if (!_clname) return 0;
if (!strcmp(_clname, qt_meta_stringdata_SettingsWindow))
return static_cast<void*>(const_cast< SettingsWindow*>(this));
return QMainWindow::qt_metacast(_clname);
}
int SettingsWindow::qt_metacall(QMetaObject::Call _c, int _id, void **_a)
{
_id = QMainWindow::qt_metacall(_c, _id, _a);
if (_id < 0)
return _id;
if (_c == QMetaObject::InvokeMetaMethod) {
if (_id < 7)
qt_static_metacall(this, _c, _id, _a);
_id -= 7;
}
return _id;
}
QT_END_MOC_NAMESPACE

80
mathmech/moc_start_events.cpp Normal file
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/****************************************************************************
** Meta object code from reading C++ file 'start_events.h'
**
** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5)
**
** WARNING! All changes made in this file will be lost!
*****************************************************************************/
#include "start_events.h"
#if !defined(Q_MOC_OUTPUT_REVISION)
#error "The header file 'start_events.h' doesn't include <QObject>."
#elif Q_MOC_OUTPUT_REVISION != 63
#error "This file was generated using the moc from 4.8.5. It"
#error "cannot be used with the include files from this version of Qt."
#error "(The moc has changed too much.)"
#endif
QT_BEGIN_MOC_NAMESPACE
static const uint qt_meta_data_Start_events[] = {
// content:
6, // revision
0, // classname
0, 0, // classinfo
0, 0, // methods
0, 0, // properties
0, 0, // enums/sets
0, 0, // constructors
0, // flags
0, // signalCount
0 // eod
};
static const char qt_meta_stringdata_Start_events[] = {
"Start_events\0"
};
void Start_events::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a)
{
Q_UNUSED(_o);
Q_UNUSED(_id);
Q_UNUSED(_c);
Q_UNUSED(_a);
}
const QMetaObjectExtraData Start_events::staticMetaObjectExtraData = {
0, qt_static_metacall
};
const QMetaObject Start_events::staticMetaObject = {
{ &QWidget::staticMetaObject, qt_meta_stringdata_Start_events,
qt_meta_data_Start_events, &staticMetaObjectExtraData }
};
#ifdef Q_NO_DATA_RELOCATION
const QMetaObject &Start_events::getStaticMetaObject() { return staticMetaObject; }
#endif //Q_NO_DATA_RELOCATION
const QMetaObject *Start_events::metaObject() const
{
return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject;
}
void *Start_events::qt_metacast(const char *_clname)
{
if (!_clname) return 0;
if (!strcmp(_clname, qt_meta_stringdata_Start_events))
return static_cast<void*>(const_cast< Start_events*>(this));
return QWidget::qt_metacast(_clname);
}
int Start_events::qt_metacall(QMetaObject::Call _c, int _id, void **_a)
{
_id = QWidget::qt_metacall(_c, _id, _a);
if (_id < 0)
return _id;
return _id;
}
QT_END_MOC_NAMESPACE

94
mathmech/moc_statgengraphwindow.cpp Normal file
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/****************************************************************************
** Meta object code from reading C++ file 'statgengraphwindow.h'
**
** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5)
**
** WARNING! All changes made in this file will be lost!
*****************************************************************************/
#include "statgengraphwindow.h"
#if !defined(Q_MOC_OUTPUT_REVISION)
#error "The header file 'statgengraphwindow.h' doesn't include <QObject>."
#elif Q_MOC_OUTPUT_REVISION != 63
#error "This file was generated using the moc from 4.8.5. It"
#error "cannot be used with the include files from this version of Qt."
#error "(The moc has changed too much.)"
#endif
QT_BEGIN_MOC_NAMESPACE
static const uint qt_meta_data_StatgenGraphWindow[] = {
// content:
6, // revision
0, // classname
0, 0, // classinfo
1, 14, // methods
0, 0, // properties
0, 0, // enums/sets
0, 0, // constructors
0, // flags
0, // signalCount
// slots: signature, parameters, type, tag, flags
20, 19, 19, 19, 0x08,
0 // eod
};
static const char qt_meta_stringdata_StatgenGraphWindow[] = {
"StatgenGraphWindow\0\0"
"on_graph_pushButton_save_clicked()\0"
};
void StatgenGraphWindow::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a)
{
if (_c == QMetaObject::InvokeMetaMethod) {
Q_ASSERT(staticMetaObject.cast(_o));
StatgenGraphWindow *_t = static_cast<StatgenGraphWindow *>(_o);
switch (_id) {
case 0: _t->on_graph_pushButton_save_clicked(); break;
default: ;
}
}
Q_UNUSED(_a);
}
const QMetaObjectExtraData StatgenGraphWindow::staticMetaObjectExtraData = {
0, qt_static_metacall
};
const QMetaObject StatgenGraphWindow::staticMetaObject = {
{ &QMainWindow::staticMetaObject, qt_meta_stringdata_StatgenGraphWindow,
qt_meta_data_StatgenGraphWindow, &staticMetaObjectExtraData }
};
#ifdef Q_NO_DATA_RELOCATION
const QMetaObject &StatgenGraphWindow::getStaticMetaObject() { return staticMetaObject; }
#endif //Q_NO_DATA_RELOCATION
const QMetaObject *StatgenGraphWindow::metaObject() const
{
return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject;
}
void *StatgenGraphWindow::qt_metacast(const char *_clname)
{
if (!_clname) return 0;
if (!strcmp(_clname, qt_meta_stringdata_StatgenGraphWindow))
return static_cast<void*>(const_cast< StatgenGraphWindow*>(this));
return QMainWindow::qt_metacast(_clname);
}
int StatgenGraphWindow::qt_metacall(QMetaObject::Call _c, int _id, void **_a)
{
_id = QMainWindow::qt_metacall(_c, _id, _a);
if (_id < 0)
return _id;
if (_c == QMetaObject::InvokeMetaMethod) {
if (_id < 1)
qt_static_metacall(this, _c, _id, _a);
_id -= 1;
}
return _id;
}
QT_END_MOC_NAMESPACE

80
mathmech/moc_update_fields.cpp Normal file
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/****************************************************************************
** Meta object code from reading C++ file 'update_fields.h'
**
** Created by: The Qt Meta Object Compiler version 63 (Qt 4.8.5)
**
** WARNING! All changes made in this file will be lost!
*****************************************************************************/
#include "update_fields.h"
#if !defined(Q_MOC_OUTPUT_REVISION)
#error "The header file 'update_fields.h' doesn't include <QObject>."
#elif Q_MOC_OUTPUT_REVISION != 63
#error "This file was generated using the moc from 4.8.5. It"
#error "cannot be used with the include files from this version of Qt."
#error "(The moc has changed too much.)"
#endif
QT_BEGIN_MOC_NAMESPACE
static const uint qt_meta_data_Update_fields[] = {
// content:
6, // revision
0, // classname
0, 0, // classinfo
0, 0, // methods
0, 0, // properties
0, 0, // enums/sets
0, 0, // constructors
0, // flags
0, // signalCount
0 // eod
};
static const char qt_meta_stringdata_Update_fields[] = {
"Update_fields\0"
};
void Update_fields::qt_static_metacall(QObject *_o, QMetaObject::Call _c, int _id, void **_a)
{
Q_UNUSED(_o);
Q_UNUSED(_id);
Q_UNUSED(_c);
Q_UNUSED(_a);
}
const QMetaObjectExtraData Update_fields::staticMetaObjectExtraData = {
0, qt_static_metacall
};
const QMetaObject Update_fields::staticMetaObject = {
{ &QWidget::staticMetaObject, qt_meta_stringdata_Update_fields,
qt_meta_data_Update_fields, &staticMetaObjectExtraData }
};
#ifdef Q_NO_DATA_RELOCATION
const QMetaObject &Update_fields::getStaticMetaObject() { return staticMetaObject; }
#endif //Q_NO_DATA_RELOCATION
const QMetaObject *Update_fields::metaObject() const
{
return QObject::d_ptr->metaObject ? QObject::d_ptr->metaObject : &staticMetaObject;
}
void *Update_fields::qt_metacast(const char *_clname)
{
if (!_clname) return 0;
if (!strcmp(_clname, qt_meta_stringdata_Update_fields))
return static_cast<void*>(const_cast< Update_fields*>(this));
return QWidget::qt_metacast(_clname);
}
int Update_fields::qt_metacall(QMetaObject::Call _c, int _id, void **_a)
{
_id = QWidget::qt_metacall(_c, _id, _a);
if (_id < 0)
return _id;
return _id;
}
QT_END_MOC_NAMESPACE

7
mathmech/settingswindow.cpp
View File

@ -3,14 +3,13 @@
#include <QFileDialog>
#include <QTextStream>
#include "settingswindow.h"
#include "ui_settingswindow.h"
#include "errorwindow.h"
#include "ui_errorwindow.h"
#include "mainwindow.h"
#include "ui_mainwindow.h"
#include "settingswindow.h"
#include "ui_settingswindow.h"
SettingsWindow::SettingsWindow(MainWindow *parent) :
QMainWindow(parent),
ui(new Ui::SettingsWindow)

28
mathmech/start_events.cpp
View File

@ -1,20 +1,27 @@
#include <QDir>
#include "start_events.h"
#include "mainwindow.h"
#include "ui_mainwindow.h"
#include "errorwindow.h"
#include "ui_errorwindow.h"
#include "statgengraphwindow.h"
#include "start_events.h"
Start_events::Start_events(MainWindow *wid) :
parent(wid)
{
}
void Start_events::start_trj(QString mm_trj_path)
void Start_events::start_trj(QString mm_trj_path,
QString workDir,
QString input,
QString type,
QString steps,
QString atomType,
QString mask,
QString totalTypes,
QString log)
{
errorwin = new ErrorWindow(parent);
parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Processing 'trj'..."));
@ -80,7 +87,6 @@ void Start_events::start_trj(QString mm_trj_path)
}
// exec
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_trj_path);
if (input.contains(QDir::separator()))
@ -105,7 +111,6 @@ void Start_events::start_trj(QString mm_trj_path)
command.append(" -q");
system(command.toStdString().c_str());
parent->ui->tabWidget->setEnabled(true);
parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Done"));
delete errorwin;
}
@ -183,7 +188,6 @@ void Start_events::start_statgen(QString mm_statgen_path)
}
// exec
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_statgen_path);
if (mask.contains(QDir::separator()))
@ -216,7 +220,6 @@ void Start_events::start_statgen(QString mm_statgen_path)
command.append(" -q");
system(command.toStdString().c_str());
parent->ui->tabWidget->setEnabled(true);
parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Done"));
delete errorwin;
if (parent->ui->statgen_checkBox_graph->checkState() == 2)
@ -283,7 +286,6 @@ void Start_events::start_envir(QString mm_envir_path)
return;
}
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_envir_path);
if (input.contains(QDir::separator()))
@ -307,7 +309,6 @@ void Start_events::start_envir(QString mm_envir_path)
command.append(" -q");
system(command.toStdString().c_str());
parent->ui->tabWidget->setEnabled(true);
parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Done"));
delete errorwin;
}
@ -393,7 +394,6 @@ void Start_events::start_radf(QString mm_radf_path)
}
// exec
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_radf_path);
if (mask.contains(QDir::separator()))
@ -430,7 +430,6 @@ void Start_events::start_radf(QString mm_radf_path)
command.append(" -q");
system(command.toStdString().c_str());
parent->ui->tabWidget->setEnabled(true);
parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Done"));
delete errorwin;
if (parent->ui->radf_checkBox_graph->checkState() == 2)
@ -513,7 +512,6 @@ void Start_events::start_pdb(QString mm_pdb_path)
}
// exec
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_pdb_path);
if (parent->ui->pdb_comboBox_mode->currentIndex() == 0)
@ -542,9 +540,7 @@ void Start_events::start_pdb(QString mm_pdb_path)
}
command.append(" -q");
// system(command.toStdString().c_str());
printf ("%s\n", command.toStdString().c_str());
parent->ui->tabWidget->setEnabled(true);
system(command.toStdString().c_str());
parent->ui->statusBar->showMessage(QApplication::translate("Start_events", "Done"));
delete errorwin;
}

10
mathmech/start_events.h
View File

@ -11,7 +11,15 @@ class Start_events : public QWidget
Q_OBJECT
public:
explicit Start_events(MainWindow *wid = 0);
void start_trj(QString mm_trj_path);
void start_trj(QString mm_trj_path,
QString workDir,
QString input,
QString type,
QString steps,
QString atomType,
QString mask,
QString totalTypes,
QString log);
void start_statgen(QString mm_statgen_path);
void start_envir(QString mm_envir_path);
void start_radf(QString mm_radf_path);

4
mathmech/statgengraphwindow.cpp
View File

@ -69,8 +69,8 @@ void StatgenGraphWindow::paintGraph()
pn_curve->setSamples(x_axis, pn_points);
break;
case 1:
plot->setAxisTitle(QwtPlot::xBottom, trUtf8("N"));
plot->setAxisTitle(QwtPlot::yLeft, trUtf8("p"));
plot->setAxisTitle(QwtPlot::xBottom, trUtf8("r"));
plot->setAxisTitle(QwtPlot::yLeft, trUtf8("g"));
pen = QPen(QColor(0,0,0));
QwtPlotCurve *radf_curve;

104
mathmech/ui_aboutwindow.h Normal file
View File

@ -0,0 +1,104 @@
/********************************************************************************
** Form generated from reading UI file 'aboutwindow.ui'
**
** Created by: Qt User Interface Compiler version 4.8.5
**
** WARNING! All changes made in this file will be lost when recompiling UI file!
********************************************************************************/
#ifndef UI_ABOUTWINDOW_H
#define UI_ABOUTWINDOW_H
#include <QtCore/QVariant>
#include <QtGui/QAction>
#include <QtGui/QApplication>
#include <QtGui/QButtonGroup>
#include <QtGui/QHBoxLayout>
#include <QtGui/QHeaderView>
#include <QtGui/QMainWindow>
#include <QtGui/QPushButton>
#include <QtGui/QSpacerItem>
#include <QtGui/QTextBrowser>
#include <QtGui/QVBoxLayout>
#include <QtGui/QWidget>
QT_BEGIN_NAMESPACE
class Ui_AboutWindow
{
public:
QWidget *centralwidget;
QVBoxLayout *verticalLayout;
QTextBrowser *textBrowser;
QHBoxLayout *about_layout_buttons;
QSpacerItem *horizontalSpacer;
QPushButton *about_pushButton_close;
void setupUi(QMainWindow *AboutWindow)
{
if (AboutWindow->objectName().isEmpty())
AboutWindow->setObjectName(QString::fromUtf8("AboutWindow"));
AboutWindow->resize(383, 320);
centralwidget = new QWidget(AboutWindow);
centralwidget->setObjectName(QString::fromUtf8("centralwidget"));
verticalLayout = new QVBoxLayout(centralwidget);
verticalLayout->setObjectName(QString::fromUtf8("verticalLayout"));
textBrowser = new QTextBrowser(centralwidget);
textBrowser->setObjectName(QString::fromUtf8("textBrowser"));
verticalLayout->addWidget(textBrowser);
about_layout_buttons = new QHBoxLayout();
about_layout_buttons->setObjectName(QString::fromUtf8("about_layout_buttons"));
horizontalSpacer = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum);
about_layout_buttons->addItem(horizontalSpacer);
about_pushButton_close = new QPushButton(centralwidget);
about_pushButton_close->setObjectName(QString::fromUtf8("about_pushButton_close"));
about_pushButton_close->setMinimumSize(QSize(80, 23));
about_pushButton_close->setAutoDefault(true);
about_layout_buttons->addWidget(about_pushButton_close);
verticalLayout->addLayout(about_layout_buttons);
AboutWindow->setCentralWidget(centralwidget);
QWidget::setTabOrder(textBrowser, about_pushButton_close);
retranslateUi(AboutWindow);
QObject::connect(about_pushButton_close, SIGNAL(clicked()), AboutWindow, SLOT(close()));
QMetaObject::connectSlotsByName(AboutWindow);
} // setupUi
void retranslateUi(QMainWindow *AboutWindow)
{
AboutWindow->setWindowTitle(QApplication::translate("AboutWindow", "About", 0, QApplication::UnicodeUTF8));
textBrowser->setHtml(QApplication::translate("AboutWindow", "<!DOCTYPE HTML PUBLIC \"-//W3C//DTD HTML 4.0//EN\" \"http://www.w3.org/TR/REC-html40/strict.dtd\">\n"
"<html><head><meta name=\"qrichtext\" content=\"1\" /><style type=\"text/css\">\n"
"p, li { white-space: pre-wrap; }\n"
"</style></head><body style=\" font-family:'Liberation Serif'; font-size:10pt; font-weight:400; font-style:normal;\">\n"
"<p align=\"center\" style=\" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;\"><span style=\" font-weight:600;\">Mathematical Molecular Mechanics</span></p>\n"
"<p style=\"-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;\"><br /></p>\n"
"<p style=\" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;\"><span style=\" font-weight:600;\">Version:</span> 1.0.0</p>\n"
"<p style=\" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0"
"px;\"><span style=\" font-weight:600;\">License:</span> GPL</p>\n"
"<p style=\"-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;\"><br /></p>\n"
"<p style=\" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;\"><span style=\" font-weight:600;\">Author:</span> Evgeniy Alekseev</p>\n"
"<p style=\" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;\"><span style=\" font-weight:600;\">E-mail:</span> esalexeev@gmail.com</p>\n"
"<p style=\"-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;\"><br /></p>\n"
"<p align=\"justify\" style=\" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;\">Graphical user interface for &quot;mathmech&quot; program pack.</p></body></html>", 0, QApplication::UnicodeUTF8));
about_pushButton_close->setText(QApplication::translate("AboutWindow", "Close", 0, QApplication::UnicodeUTF8));
} // retranslateUi
};
namespace Ui {
class AboutWindow: public Ui_AboutWindow {};
} // namespace Ui
QT_END_NAMESPACE
#endif // UI_ABOUTWINDOW_H

217
mathmech/ui_agglwindow.h Normal file
View File

@ -0,0 +1,217 @@
/********************************************************************************
** Form generated from reading UI file 'agglwindow.ui'
**
** Created by: Qt User Interface Compiler version 4.8.5
**
** WARNING! All changes made in this file will be lost when recompiling UI file!
********************************************************************************/
#ifndef UI_AGGLWINDOW_H
#define UI_AGGLWINDOW_H
#include <QtCore/QVariant>
#include <QtGui/QAction>
#include <QtGui/QApplication>
#include <QtGui/QButtonGroup>
#include <QtGui/QComboBox>
#include <QtGui/QHBoxLayout>
#include <QtGui/QHeaderView>
#include <QtGui/QLabel>
#include <QtGui/QLineEdit>
#include <QtGui/QListWidget>
#include <QtGui/QMainWindow>
#include <QtGui/QPushButton>
#include <QtGui/QSpacerItem>
#include <QtGui/QTextBrowser>
#include <QtGui/QVBoxLayout>
#include <QtGui/QWidget>
QT_BEGIN_NAMESPACE
class Ui_AgglWindow
{
public:
QWidget *centralwidget;
QVBoxLayout *verticalLayout;
QHBoxLayout *agl_layout_input;
QLabel *agl_label_input;
QLineEdit *agl_lineEdit_input;
QPushButton *agl_pushButton_input;
QHBoxLayout *horizontalLayout;
QSpacerItem *horizontalSpacer_2;
QPushButton *pushButton;
QComboBox *agl_comboBox;
QListWidget *agl_listWidget;
QTextBrowser *agl_textBrowser;
QHBoxLayout *agl_layout_output;
QLabel *agl_label_output;
QLineEdit *agl_lineEdit_output;
QPushButton *agl_pushButton_output;
QHBoxLayout *agl_layout_buttons;
QPushButton *agl_pushButton_clear;
QSpacerItem *horizontalSpacer;
QPushButton *agl_pushButton_create;
QPushButton *agl_pushButton_close;
void setupUi(QMainWindow *AgglWindow)
{
if (AgglWindow->objectName().isEmpty())
AgglWindow->setObjectName(QString::fromUtf8("AgglWindow"));
AgglWindow->resize(396, 400);
centralwidget = new QWidget(AgglWindow);
centralwidget->setObjectName(QString::fromUtf8("centralwidget"));
verticalLayout = new QVBoxLayout(centralwidget);
verticalLayout->setObjectName(QString::fromUtf8("verticalLayout"));
agl_layout_input = new QHBoxLayout();
agl_layout_input->setObjectName(QString::fromUtf8("agl_layout_input"));
agl_label_input = new QLabel(centralwidget);
agl_label_input->setObjectName(QString::fromUtf8("agl_label_input"));
agl_label_input->setMinimumSize(QSize(110, 23));
agl_layout_input->addWidget(agl_label_input);
agl_lineEdit_input = new QLineEdit(centralwidget);
agl_lineEdit_input->setObjectName(QString::fromUtf8("agl_lineEdit_input"));
agl_lineEdit_input->setMinimumSize(QSize(100, 23));
agl_lineEdit_input->setMaximumSize(QSize(16777215, 16777215));
agl_layout_input->addWidget(agl_lineEdit_input);
agl_pushButton_input = new QPushButton(centralwidget);
agl_pushButton_input->setObjectName(QString::fromUtf8("agl_pushButton_input"));
agl_pushButton_input->setMinimumSize(QSize(80, 23));
agl_pushButton_input->setAutoDefault(true);
agl_layout_input->addWidget(agl_pushButton_input);
verticalLayout->addLayout(agl_layout_input);
horizontalLayout = new QHBoxLayout();
horizontalLayout->setObjectName(QString::fromUtf8("horizontalLayout"));
horizontalSpacer_2 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum);
horizontalLayout->addItem(horizontalSpacer_2);
pushButton = new QPushButton(centralwidget);
pushButton->setObjectName(QString::fromUtf8("pushButton"));
pushButton->setMinimumSize(QSize(80, 23));
pushButton->setAutoDefault(true);
horizontalLayout->addWidget(pushButton);
verticalLayout->addLayout(horizontalLayout);
agl_comboBox = new QComboBox(centralwidget);
agl_comboBox->setObjectName(QString::fromUtf8("agl_comboBox"));
verticalLayout->addWidget(agl_comboBox);
agl_listWidget = new QListWidget(centralwidget);
agl_listWidget->setObjectName(QString::fromUtf8("agl_listWidget"));
agl_listWidget->setEditTriggers(QAbstractItemView::NoEditTriggers);
verticalLayout->addWidget(agl_listWidget);
agl_textBrowser = new QTextBrowser(centralwidget);
agl_textBrowser->setObjectName(QString::fromUtf8("agl_textBrowser"));
verticalLayout->addWidget(agl_textBrowser);
agl_layout_output = new QHBoxLayout();
agl_layout_output->setObjectName(QString::fromUtf8("agl_layout_output"));
agl_label_output = new QLabel(centralwidget);
agl_label_output->setObjectName(QString::fromUtf8("agl_label_output"));
agl_label_output->setMinimumSize(QSize(110, 23));
agl_layout_output->addWidget(agl_label_output);
agl_lineEdit_output = new QLineEdit(centralwidget);
agl_lineEdit_output->setObjectName(QString::fromUtf8("agl_lineEdit_output"));
agl_lineEdit_output->setMinimumSize(QSize(100, 23));
agl_lineEdit_output->setMaximumSize(QSize(16777215, 16777215));
agl_layout_output->addWidget(agl_lineEdit_output);
agl_pushButton_output = new QPushButton(centralwidget);
agl_pushButton_output->setObjectName(QString::fromUtf8("agl_pushButton_output"));
agl_pushButton_output->setMinimumSize(QSize(80, 23));
agl_pushButton_output->setAutoDefault(true);
agl_layout_output->addWidget(agl_pushButton_output);
verticalLayout->addLayout(agl_layout_output);
agl_layout_buttons = new QHBoxLayout();
agl_layout_buttons->setObjectName(QString::fromUtf8("agl_layout_buttons"));
agl_pushButton_clear = new QPushButton(centralwidget);
agl_pushButton_clear->setObjectName(QString::fromUtf8("agl_pushButton_clear"));
agl_pushButton_clear->setMinimumSize(QSize(80, 23));
agl_pushButton_clear->setAutoDefault(true);
agl_layout_buttons->addWidget(agl_pushButton_clear);
horizontalSpacer = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum);
agl_layout_buttons->addItem(horizontalSpacer);
agl_pushButton_create = new QPushButton(centralwidget);
agl_pushButton_create->setObjectName(QString::fromUtf8("agl_pushButton_create"));
agl_pushButton_create->setMinimumSize(QSize(80, 23));
agl_pushButton_create->setMaximumSize(QSize(16777215, 16777215));
agl_pushButton_create->setAutoDefault(true);
agl_layout_buttons->addWidget(agl_pushButton_create);
agl_pushButton_close = new QPushButton(centralwidget);
agl_pushButton_close->setObjectName(QString::fromUtf8("agl_pushButton_close"));
agl_pushButton_close->setMinimumSize(QSize(80, 23));
agl_pushButton_close->setAutoDefault(true);
agl_layout_buttons->addWidget(agl_pushButton_close);
verticalLayout->addLayout(agl_layout_buttons);
AgglWindow->setCentralWidget(centralwidget);
QWidget::setTabOrder(agl_lineEdit_input, agl_pushButton_input);
QWidget::setTabOrder(agl_pushButton_input, pushButton);
QWidget::setTabOrder(pushButton, agl_comboBox);
QWidget::setTabOrder(agl_comboBox, agl_listWidget);
QWidget::setTabOrder(agl_listWidget, agl_textBrowser);
QWidget::setTabOrder(agl_textBrowser, agl_lineEdit_output);
QWidget::setTabOrder(agl_lineEdit_output, agl_pushButton_output);
QWidget::setTabOrder(agl_pushButton_output, agl_pushButton_clear);
QWidget::setTabOrder(agl_pushButton_clear, agl_pushButton_create);
QWidget::setTabOrder(agl_pushButton_create, agl_pushButton_close);
retranslateUi(AgglWindow);
QObject::connect(agl_pushButton_close, SIGNAL(clicked()), AgglWindow, SLOT(close()));
QMetaObject::connectSlotsByName(AgglWindow);
} // setupUi
void retranslateUi(QMainWindow *AgglWindow)
{
AgglWindow->setWindowTitle(QApplication::translate("AgglWindow", "Agglomerate", 0, QApplication::UnicodeUTF8));
agl_label_input->setText(QApplication::translate("AgglWindow", "Input file", 0, QApplication::UnicodeUTF8));
agl_pushButton_input->setText(QApplication::translate("AgglWindow", "Browse", 0, QApplication::UnicodeUTF8));
pushButton->setText(QApplication::translate("AgglWindow", "Select", 0, QApplication::UnicodeUTF8));
agl_label_output->setText(QApplication::translate("AgglWindow", "Output file", 0, QApplication::UnicodeUTF8));
agl_pushButton_output->setText(QApplication::translate("AgglWindow", "Browse", 0, QApplication::UnicodeUTF8));
agl_pushButton_clear->setText(QApplication::translate("AgglWindow", "Clear", 0, QApplication::UnicodeUTF8));
agl_pushButton_create->setText(QApplication::translate("AgglWindow", "Create", 0, QApplication::UnicodeUTF8));
agl_pushButton_close->setText(QApplication::translate("AgglWindow", "Close", 0, QApplication::UnicodeUTF8));
} // retranslateUi
};
namespace Ui {
class AgglWindow: public Ui_AgglWindow {};
} // namespace Ui
QT_END_NAMESPACE
#endif // UI_AGGLWINDOW_H

263
mathmech/ui_aglallwindow.h Normal file
View File

@ -0,0 +1,263 @@
/********************************************************************************
** Form generated from reading UI file 'aglallwindow.ui'
**
** Created by: Qt User Interface Compiler version 4.8.5
**
** WARNING! All changes made in this file will be lost when recompiling UI file!
********************************************************************************/
#ifndef UI_AGLALLWINDOW_H
#define UI_AGLALLWINDOW_H
#include <QtCore/QVariant>
#include <QtGui/QAction>
#include <QtGui/QApplication>
#include <QtGui/QButtonGroup>
#include <QtGui/QHBoxLayout>
#include <QtGui/QHeaderView>
#include <QtGui/QLabel>
#include <QtGui/QLineEdit>
#include <QtGui/QMainWindow>
#include <QtGui/QPushButton>
#include <QtGui/QSpacerItem>
#include <QtGui/QSpinBox>
#include <QtGui/QStatusBar>
#include <QtGui/QVBoxLayout>
#include <QtGui/QWidget>
QT_BEGIN_NAMESPACE
class Ui_AglAllWindow
{
public:
QWidget *centralwidget;
QVBoxLayout *verticalLayout;
QHBoxLayout *aglall_layout_workDir;
QLabel *aglall_label_workDir;
QLineEdit *aglall_lineEdit_workDir;
QPushButton *aglall_pushButton_workDir;
QHBoxLayout *aglall_layout_input;
QLabel *aglall_label_input;
QLineEdit *aglall_lineEdit_input;
QPushButton *pdb_pushButton_input;
QHBoxLayout *aglall_layout_output;
QLabel *aglall_label_output;
QLineEdit *aglall_lineEdit_output;
QPushButton *aglall_pushButton_output;
QHBoxLayout *aglall_layout_num;
QLabel *aglall_label_file;
QSpinBox *aglall_spinBox_file;
QSpacerItem *horizontalSpacer;
QLabel *aglall_label_num;
QSpinBox *aglall_spinBox_num;
QSpacerItem *horizontalSpacer_2;
QSpacerItem *verticalSpacer;
QHBoxLayout *aglall_layout_buttons;
QPushButton *aglall_pushButton_clear;
QSpacerItem *horizontalSpacer_15;
QPushButton *aglall_pushButton_start;
QPushButton *aglall_pushButton_close;
QStatusBar *statusbar;
void setupUi(QMainWindow *AglAllWindow)
{
if (AglAllWindow->objectName().isEmpty())
AglAllWindow->setObjectName(QString::fromUtf8("AglAllWindow"));
AglAllWindow->resize(502, 260);
centralwidget = new QWidget(AglAllWindow);
centralwidget->setObjectName(QString::fromUtf8("centralwidget"));
verticalLayout = new QVBoxLayout(centralwidget);
verticalLayout->setObjectName(QString::fromUtf8("verticalLayout"));
aglall_layout_workDir = new QHBoxLayout();
aglall_layout_workDir->setObjectName(QString::fromUtf8("aglall_layout_workDir"));
aglall_label_workDir = new QLabel(centralwidget);
aglall_label_workDir->setObjectName(QString::fromUtf8("aglall_label_workDir"));
aglall_label_workDir->setMinimumSize(QSize(110, 23));
aglall_layout_workDir->addWidget(aglall_label_workDir);
aglall_lineEdit_workDir = new QLineEdit(centralwidget);
aglall_lineEdit_workDir->setObjectName(QString::fromUtf8("aglall_lineEdit_workDir"));
aglall_lineEdit_workDir->setMinimumSize(QSize(280, 23));
aglall_layout_workDir->addWidget(aglall_lineEdit_workDir);
aglall_pushButton_workDir = new QPushButton(centralwidget);
aglall_pushButton_workDir->setObjectName(QString::fromUtf8("aglall_pushButton_workDir"));
aglall_pushButton_workDir->setMinimumSize(QSize(80, 23));
aglall_pushButton_workDir->setAutoDefault(true);
aglall_layout_workDir->addWidget(aglall_pushButton_workDir);
verticalLayout->addLayout(aglall_layout_workDir);
aglall_layout_input = new QHBoxLayout();
aglall_layout_input->setObjectName(QString::fromUtf8("aglall_layout_input"));
aglall_label_input = new QLabel(centralwidget);
aglall_label_input->setObjectName(QString::fromUtf8("aglall_label_input"));
aglall_label_input->setMinimumSize(QSize(110, 23));
aglall_layout_input->addWidget(aglall_label_input);
aglall_lineEdit_input = new QLineEdit(centralwidget);
aglall_lineEdit_input->setObjectName(QString::fromUtf8("aglall_lineEdit_input"));
aglall_lineEdit_input->setMinimumSize(QSize(280, 23));
aglall_layout_input->addWidget(aglall_lineEdit_input);
pdb_pushButton_input = new QPushButton(centralwidget);
pdb_pushButton_input->setObjectName(QString::fromUtf8("pdb_pushButton_input"));
pdb_pushButton_input->setMinimumSize(QSize(80, 23));
pdb_pushButton_input->setAutoDefault(true);
aglall_layout_input->addWidget(pdb_pushButton_input);
verticalLayout->addLayout(aglall_layout_input);
aglall_layout_output = new QHBoxLayout();
aglall_layout_output->setObjectName(QString::fromUtf8("aglall_layout_output"));
aglall_label_output = new QLabel(centralwidget);
aglall_label_output->setObjectName(QString::fromUtf8("aglall_label_output"));
aglall_label_output->setMinimumSize(QSize(110, 23));
aglall_layout_output->addWidget(aglall_label_output);
aglall_lineEdit_output = new QLineEdit(centralwidget);
aglall_lineEdit_output->setObjectName(QString::fromUtf8("aglall_lineEdit_output"));
aglall_lineEdit_output->setMinimumSize(QSize(280, 23));
aglall_layout_output->addWidget(aglall_lineEdit_output);
aglall_pushButton_output = new QPushButton(centralwidget);
aglall_pushButton_output->setObjectName(QString::fromUtf8("aglall_pushButton_output"));
aglall_pushButton_output->setMinimumSize(QSize(80, 23));
aglall_pushButton_output->setAutoDefault(true);
aglall_layout_output->addWidget(aglall_pushButton_output);
verticalLayout->addLayout(aglall_layout_output);
aglall_layout_num = new QHBoxLayout();
aglall_layout_num->setObjectName(QString::fromUtf8("aglall_layout_num"));
aglall_label_file = new QLabel(centralwidget);
aglall_label_file->setObjectName(QString::fromUtf8("aglall_label_file"));
aglall_label_file->setMinimumSize(QSize(110, 23));
aglall_layout_num->addWidget(aglall_label_file);
aglall_spinBox_file = new QSpinBox(centralwidget);
aglall_spinBox_file->setObjectName(QString::fromUtf8("aglall_spinBox_file"));
aglall_spinBox_file->setMinimumSize(QSize(75, 23));
aglall_spinBox_file->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter);
aglall_spinBox_file->setMaximum(999);
aglall_layout_num->addWidget(aglall_spinBox_file);
horizontalSpacer = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum);
aglall_layout_num->addItem(horizontalSpacer);
aglall_label_num = new QLabel(centralwidget);
aglall_label_num->setObjectName(QString::fromUtf8("aglall_label_num"));
aglall_label_num->setMinimumSize(QSize(150, 23));
aglall_layout_num->addWidget(aglall_label_num);
aglall_spinBox_num = new QSpinBox(centralwidget);
aglall_spinBox_num->setObjectName(QString::fromUtf8("aglall_spinBox_num"));
aglall_spinBox_num->setMinimumSize(QSize(75, 23));
aglall_spinBox_num->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter);
aglall_layout_num->addWidget(aglall_spinBox_num);
horizontalSpacer_2 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum);
aglall_layout_num->addItem(horizontalSpacer_2);
verticalLayout->addLayout(aglall_layout_num);
verticalSpacer = new QSpacerItem(20, 40, QSizePolicy::Minimum, QSizePolicy::Expanding);
verticalLayout->addItem(verticalSpacer);
aglall_layout_buttons = new QHBoxLayout();
aglall_layout_buttons->setObjectName(QString::fromUtf8("aglall_layout_buttons"));
aglall_pushButton_clear = new QPushButton(centralwidget);
aglall_pushButton_clear->setObjectName(QString::fromUtf8("aglall_pushButton_clear"));
aglall_pushButton_clear->setMinimumSize(QSize(80, 23));
aglall_pushButton_clear->setAutoDefault(true);
aglall_layout_buttons->addWidget(aglall_pushButton_clear);
horizontalSpacer_15 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum);
aglall_layout_buttons->addItem(horizontalSpacer_15);
aglall_pushButton_start = new QPushButton(centralwidget);
aglall_pushButton_start->setObjectName(QString::fromUtf8("aglall_pushButton_start"));
aglall_pushButton_start->setMinimumSize(QSize(80, 23));
aglall_pushButton_start->setMaximumSize(QSize(16777215, 16777215));
aglall_pushButton_start->setAutoDefault(true);
aglall_layout_buttons->addWidget(aglall_pushButton_start);
aglall_pushButton_close = new QPushButton(centralwidget);
aglall_pushButton_close->setObjectName(QString::fromUtf8("aglall_pushButton_close"));
aglall_pushButton_close->setMinimumSize(QSize(80, 23));
aglall_pushButton_close->setAutoDefault(true);
aglall_layout_buttons->addWidget(aglall_pushButton_close);
verticalLayout->addLayout(aglall_layout_buttons);
AglAllWindow->setCentralWidget(centralwidget);
statusbar = new QStatusBar(AglAllWindow);
statusbar->setObjectName(QString::fromUtf8("statusbar"));
AglAllWindow->setStatusBar(statusbar);
QWidget::setTabOrder(aglall_lineEdit_workDir, aglall_pushButton_workDir);
QWidget::setTabOrder(aglall_pushButton_workDir, aglall_lineEdit_input);
QWidget::setTabOrder(aglall_lineEdit_input, pdb_pushButton_input);
QWidget::setTabOrder(pdb_pushButton_input, aglall_lineEdit_output);
QWidget::setTabOrder(aglall_lineEdit_output, aglall_pushButton_output);
QWidget::setTabOrder(aglall_pushButton_output, aglall_spinBox_file);
QWidget::setTabOrder(aglall_spinBox_file, aglall_spinBox_num);
QWidget::setTabOrder(aglall_spinBox_num, aglall_pushButton_clear);
QWidget::setTabOrder(aglall_pushButton_clear, aglall_pushButton_start);
QWidget::setTabOrder(aglall_pushButton_start, aglall_pushButton_close);
retranslateUi(AglAllWindow);
QObject::connect(aglall_pushButton_close, SIGNAL(clicked()), AglAllWindow, SLOT(close()));
QMetaObject::connectSlotsByName(AglAllWindow);
} // setupUi
void retranslateUi(QMainWindow *AglAllWindow)
{
AglAllWindow->setWindowTitle(QApplication::translate("AglAllWindow", "agl_all", 0, QApplication::UnicodeUTF8));
aglall_label_workDir->setText(QApplication::translate("AglAllWindow", "Work directory", 0, QApplication::UnicodeUTF8));
aglall_pushButton_workDir->setText(QApplication::translate("AglAllWindow", "Browse", 0, QApplication::UnicodeUTF8));
aglall_label_input->setText(QApplication::translate("AglAllWindow", "Input file", 0, QApplication::UnicodeUTF8));
pdb_pushButton_input->setText(QApplication::translate("AglAllWindow", "Browse", 0, QApplication::UnicodeUTF8));
aglall_label_output->setText(QApplication::translate("AglAllWindow", "Mask of output files", 0, QApplication::UnicodeUTF8));
aglall_pushButton_output->setText(QApplication::translate("AglAllWindow", "Browse", 0, QApplication::UnicodeUTF8));
aglall_label_file->setText(QApplication::translate("AglAllWindow", "File", 0, QApplication::UnicodeUTF8));
aglall_label_num->setText(QApplication::translate("AglAllWindow", "Number of molecules", 0, QApplication::UnicodeUTF8));
aglall_pushButton_clear->setText(QApplication::translate("AglAllWindow", "Clear", 0, QApplication::UnicodeUTF8));
aglall_pushButton_start->setText(QApplication::translate("AglAllWindow", "Start", 0, QApplication::UnicodeUTF8));
aglall_pushButton_close->setText(QApplication::translate("AglAllWindow", "Close", 0, QApplication::UnicodeUTF8));
} // retranslateUi
};
namespace Ui {
class AglAllWindow: public Ui_AglAllWindow {};
} // namespace Ui
QT_END_NAMESPACE
#endif // UI_AGLALLWINDOW_H

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/********************************************************************************
** Form generated from reading UI file 'atomtypeswindow.ui'
**
** Created by: Qt User Interface Compiler version 4.8.5
**
** WARNING! All changes made in this file will be lost when recompiling UI file!
********************************************************************************/
#ifndef UI_ATOMTYPESWINDOW_H
#define UI_ATOMTYPESWINDOW_H
#include <QtCore/QVariant>
#include <QtGui/QAction>
#include <QtGui/QApplication>
#include <QtGui/QButtonGroup>
#include <QtGui/QComboBox>
#include <QtGui/QHBoxLayout>
#include <QtGui/QHeaderView>
#include <QtGui/QLabel>
#include <QtGui/QLineEdit>
#include <QtGui/QListWidget>
#include <QtGui/QMainWindow>
#include <QtGui/QPushButton>
#include <QtGui/QSpacerItem>
#include <QtGui/QSpinBox>
#include <QtGui/QVBoxLayout>
#include <QtGui/QWidget>
QT_BEGIN_NAMESPACE
class Ui_AtomTypesWindow
{
public:
QWidget *centralwidget;
QVBoxLayout *verticalLayout;
QHBoxLayout *atomTypes_layout_output;
QLabel *atomTypes_label_output;
QLineEdit *atomTypes_lineEdit_output;
QPushButton *atomTypes_pushButton_output;
QHBoxLayout *atomTypes_layout_mol;
QLabel *atomTypes_label_mol;
QComboBox *atomTypes_comboBox_mol;
QLabel *atomTypes_label_numOfMol;
QSpinBox *atomTypes_spinBox_numOfMol;
QHBoxLayout *atomTypes_layout_atom;
QLabel *atomTypes_label_chType;
QLineEdit *atomTypes_lineEdit_chType;
QLabel *atomTypes_label_intType;
QSpinBox *atomTypes_spinBox_intType;
QPushButton *atomTypes_pushButton_add;
QListWidget *atomTypes_listWidget;
QHBoxLayout *atomTypes_layout_intRem;
QSpacerItem *horizontalSpacer_5;
QPushButton *atomTypes_pushButton_typeRem;
QHBoxLayout *atomTypes_layout_buttons;
QPushButton *atomTypes_pushButton_clear;
QSpacerItem *horizontalSpacer;
QPushButton *atomTypes_pushButton_create;
QPushButton *atomTypes_pushButton_close;
void setupUi(QMainWindow *AtomTypesWindow)
{
if (AtomTypesWindow->objectName().isEmpty())
AtomTypesWindow->setObjectName(QString::fromUtf8("AtomTypesWindow"));
AtomTypesWindow->resize(468, 320);
centralwidget = new QWidget(AtomTypesWindow);
centralwidget->setObjectName(QString::fromUtf8("centralwidget"));
verticalLayout = new QVBoxLayout(centralwidget);
verticalLayout->setObjectName(QString::fromUtf8("verticalLayout"));
atomTypes_layout_output = new QHBoxLayout();
atomTypes_layout_output->setObjectName(QString::fromUtf8("atomTypes_layout_output"));
atomTypes_label_output = new QLabel(centralwidget);
atomTypes_label_output->setObjectName(QString::fromUtf8("atomTypes_label_output"));
atomTypes_label_output->setMinimumSize(QSize(110, 23));
atomTypes_layout_output->addWidget(atomTypes_label_output);
atomTypes_lineEdit_output = new QLineEdit(centralwidget);
atomTypes_lineEdit_output->setObjectName(QString::fromUtf8("atomTypes_lineEdit_output"));
atomTypes_lineEdit_output->setMinimumSize(QSize(100, 23));
atomTypes_lineEdit_output->setMaximumSize(QSize(16777215, 16777215));
atomTypes_layout_output->addWidget(atomTypes_lineEdit_output);
atomTypes_pushButton_output = new QPushButton(centralwidget);
atomTypes_pushButton_output->setObjectName(QString::fromUtf8("atomTypes_pushButton_output"));
atomTypes_pushButton_output->setMinimumSize(QSize(80, 23));
atomTypes_pushButton_output->setAutoDefault(true);
atomTypes_layout_output->addWidget(atomTypes_pushButton_output);
verticalLayout->addLayout(atomTypes_layout_output);
atomTypes_layout_mol = new QHBoxLayout();
atomTypes_layout_mol->setObjectName(QString::fromUtf8("atomTypes_layout_mol"));
atomTypes_label_mol = new QLabel(centralwidget);
atomTypes_label_mol->setObjectName(QString::fromUtf8("atomTypes_label_mol"));
atomTypes_label_mol->setMinimumSize(QSize(110, 23));
atomTypes_layout_mol->addWidget(atomTypes_label_mol);
atomTypes_comboBox_mol = new QComboBox(centralwidget);
atomTypes_comboBox_mol->setObjectName(QString::fromUtf8("atomTypes_comboBox_mol"));
QSizePolicy sizePolicy(QSizePolicy::Expanding, QSizePolicy::Fixed);
sizePolicy.setHorizontalStretch(0);
sizePolicy.setVerticalStretch(0);
sizePolicy.setHeightForWidth(atomTypes_comboBox_mol->sizePolicy().hasHeightForWidth());
atomTypes_comboBox_mol->setSizePolicy(sizePolicy);
atomTypes_comboBox_mol->setMinimumSize(QSize(130, 23));
atomTypes_layout_mol->addWidget(atomTypes_comboBox_mol);
atomTypes_label_numOfMol = new QLabel(centralwidget);
atomTypes_label_numOfMol->setObjectName(QString::fromUtf8("atomTypes_label_numOfMol"));
atomTypes_label_numOfMol->setMinimumSize(QSize(130, 23));
atomTypes_layout_mol->addWidget(atomTypes_label_numOfMol);
atomTypes_spinBox_numOfMol = new QSpinBox(centralwidget);
atomTypes_spinBox_numOfMol->setObjectName(QString::fromUtf8("atomTypes_spinBox_numOfMol"));
atomTypes_spinBox_numOfMol->setMinimumSize(QSize(60, 23));
atomTypes_spinBox_numOfMol->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter);
atomTypes_spinBox_numOfMol->setMinimum(1);
atomTypes_spinBox_numOfMol->setMaximum(999);
atomTypes_layout_mol->addWidget(atomTypes_spinBox_numOfMol);
verticalLayout->addLayout(atomTypes_layout_mol);
atomTypes_layout_atom = new QHBoxLayout();
atomTypes_layout_atom->setObjectName(QString::fromUtf8("atomTypes_layout_atom"));
atomTypes_label_chType = new QLabel(centralwidget);
atomTypes_label_chType->setObjectName(QString::fromUtf8("atomTypes_label_chType"));
atomTypes_label_chType->setMinimumSize(QSize(110, 23));
atomTypes_layout_atom->addWidget(atomTypes_label_chType);
atomTypes_lineEdit_chType = new QLineEdit(centralwidget);
atomTypes_lineEdit_chType->setObjectName(QString::fromUtf8("atomTypes_lineEdit_chType"));
atomTypes_lineEdit_chType->setMinimumSize(QSize(60, 23));
atomTypes_layout_atom->addWidget(atomTypes_lineEdit_chType);
atomTypes_label_intType = new QLabel(centralwidget);
atomTypes_label_intType->setObjectName(QString::fromUtf8("atomTypes_label_intType"));
atomTypes_label_intType->setMinimumSize(QSize(110, 23));
atomTypes_layout_atom->addWidget(atomTypes_label_intType);
atomTypes_spinBox_intType = new QSpinBox(centralwidget);
atomTypes_spinBox_intType->setObjectName(QString::fromUtf8("atomTypes_spinBox_intType"));
atomTypes_spinBox_intType->setMinimumSize(QSize(60, 23));
atomTypes_spinBox_intType->setAlignment(Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter);
atomTypes_spinBox_intType->setMinimum(1);
atomTypes_layout_atom->addWidget(atomTypes_spinBox_intType);
atomTypes_pushButton_add = new QPushButton(centralwidget);
atomTypes_pushButton_add->setObjectName(QString::fromUtf8("atomTypes_pushButton_add"));
atomTypes_pushButton_add->setMinimumSize(QSize(80, 23));
atomTypes_pushButton_add->setAutoDefault(true);
atomTypes_layout_atom->addWidget(atomTypes_pushButton_add);
verticalLayout->addLayout(atomTypes_layout_atom);
atomTypes_listWidget = new QListWidget(centralwidget);
atomTypes_listWidget->setObjectName(QString::fromUtf8("atomTypes_listWidget"));
atomTypes_listWidget->setEditTriggers(QAbstractItemView::NoEditTriggers);
verticalLayout->addWidget(atomTypes_listWidget);
atomTypes_layout_intRem = new QHBoxLayout();
atomTypes_layout_intRem->setObjectName(QString::fromUtf8("atomTypes_layout_intRem"));
horizontalSpacer_5 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum);
atomTypes_layout_intRem->addItem(horizontalSpacer_5);
atomTypes_pushButton_typeRem = new QPushButton(centralwidget);
atomTypes_pushButton_typeRem->setObjectName(QString::fromUtf8("atomTypes_pushButton_typeRem"));
atomTypes_pushButton_typeRem->setMinimumSize(QSize(80, 23));
atomTypes_pushButton_typeRem->setAutoDefault(true);
atomTypes_layout_intRem->addWidget(atomTypes_pushButton_typeRem);
verticalLayout->addLayout(atomTypes_layout_intRem);
atomTypes_layout_buttons = new QHBoxLayout();
atomTypes_layout_buttons->setObjectName(QString::fromUtf8("atomTypes_layout_buttons"));
atomTypes_pushButton_clear = new QPushButton(centralwidget);
atomTypes_pushButton_clear->setObjectName(QString::fromUtf8("atomTypes_pushButton_clear"));
atomTypes_pushButton_clear->setMinimumSize(QSize(80, 23));
atomTypes_pushButton_clear->setAutoDefault(true);
atomTypes_layout_buttons->addWidget(atomTypes_pushButton_clear);
horizontalSpacer = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum);
atomTypes_layout_buttons->addItem(horizontalSpacer);
atomTypes_pushButton_create = new QPushButton(centralwidget);
atomTypes_pushButton_create->setObjectName(QString::fromUtf8("atomTypes_pushButton_create"));
atomTypes_pushButton_create->setMinimumSize(QSize(80, 23));
atomTypes_pushButton_create->setMaximumSize(QSize(16777215, 16777215));
atomTypes_pushButton_create->setAutoDefault(true);
atomTypes_layout_buttons->addWidget(atomTypes_pushButton_create);
atomTypes_pushButton_close = new QPushButton(centralwidget);
atomTypes_pushButton_close->setObjectName(QString::fromUtf8("atomTypes_pushButton_close"));
atomTypes_pushButton_close->setMinimumSize(QSize(80, 23));
atomTypes_pushButton_close->setAutoDefault(true);
atomTypes_layout_buttons->addWidget(atomTypes_pushButton_close);
verticalLayout->addLayout(atomTypes_layout_buttons);
AtomTypesWindow->setCentralWidget(centralwidget);
QWidget::setTabOrder(atomTypes_lineEdit_output, atomTypes_pushButton_output);
QWidget::setTabOrder(atomTypes_pushButton_output, atomTypes_comboBox_mol);
QWidget::setTabOrder(atomTypes_comboBox_mol, atomTypes_spinBox_numOfMol);
QWidget::setTabOrder(atomTypes_spinBox_numOfMol, atomTypes_lineEdit_chType);
QWidget::setTabOrder(atomTypes_lineEdit_chType, atomTypes_spinBox_intType);
QWidget::setTabOrder(atomTypes_spinBox_intType, atomTypes_pushButton_add);
QWidget::setTabOrder(atomTypes_pushButton_add, atomTypes_listWidget);
QWidget::setTabOrder(atomTypes_listWidget, atomTypes_pushButton_typeRem);
QWidget::setTabOrder(atomTypes_pushButton_typeRem, atomTypes_pushButton_clear);
QWidget::setTabOrder(atomTypes_pushButton_clear, atomTypes_pushButton_create);
QWidget::setTabOrder(atomTypes_pushButton_create, atomTypes_pushButton_close);
retranslateUi(AtomTypesWindow);
QObject::connect(atomTypes_pushButton_close, SIGNAL(clicked()), AtomTypesWindow, SLOT(close()));
QMetaObject::connectSlotsByName(AtomTypesWindow);
} // setupUi
void retranslateUi(QMainWindow *AtomTypesWindow)
{
AtomTypesWindow->setWindowTitle(QApplication::translate("AtomTypesWindow", "Atom types", 0, QApplication::UnicodeUTF8));
atomTypes_label_output->setText(QApplication::translate("AtomTypesWindow", "Output file", 0, QApplication::UnicodeUTF8));
atomTypes_pushButton_output->setText(QApplication::translate("AtomTypesWindow", "Browse", 0, QApplication::UnicodeUTF8));
atomTypes_label_mol->setText(QApplication::translate("AtomTypesWindow", "Molecule", 0, QApplication::UnicodeUTF8));
atomTypes_comboBox_mol->clear();
atomTypes_comboBox_mol->insertItems(0, QStringList()
<< QApplication::translate("AtomTypesWindow", "1", 0, QApplication::UnicodeUTF8)
<< QApplication::translate("AtomTypesWindow", "Add new molecule", 0, QApplication::UnicodeUTF8)
);
atomTypes_label_numOfMol->setText(QApplication::translate("AtomTypesWindow", "Number of molecules", 0, QApplication::UnicodeUTF8));
atomTypes_label_chType->setText(QApplication::translate("AtomTypesWindow", "Char atom type", 0, QApplication::UnicodeUTF8));
atomTypes_label_intType->setText(QApplication::translate("AtomTypesWindow", "Int atom type", 0, QApplication::UnicodeUTF8));
atomTypes_pushButton_add->setText(QApplication::translate("AtomTypesWindow", "Add", 0, QApplication::UnicodeUTF8));
atomTypes_pushButton_typeRem->setText(QApplication::translate("AtomTypesWindow", "Remove", 0, QApplication::UnicodeUTF8));
atomTypes_pushButton_clear->setText(QApplication::translate("AtomTypesWindow", "Clear", 0, QApplication::UnicodeUTF8));
atomTypes_pushButton_create->setText(QApplication::translate("AtomTypesWindow", "Create", 0, QApplication::UnicodeUTF8));
atomTypes_pushButton_close->setText(QApplication::translate("AtomTypesWindow", "Close", 0, QApplication::UnicodeUTF8));
} // retranslateUi
};
namespace Ui {
class AtomTypesWindow: public Ui_AtomTypesWindow {};
} // namespace Ui
QT_END_NAMESPACE
#endif // UI_ATOMTYPESWINDOW_H

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/********************************************************************************
** Form generated from reading UI file 'errorwindow.ui'
**
** Created by: Qt User Interface Compiler version 4.8.5
**
** WARNING! All changes made in this file will be lost when recompiling UI file!
********************************************************************************/
#ifndef UI_ERRORWINDOW_H
#define UI_ERRORWINDOW_H
#include <QtCore/QVariant>
#include <QtGui/QAction>
#include <QtGui/QApplication>
#include <QtGui/QButtonGroup>
#include <QtGui/QHBoxLayout>
#include <QtGui/QHeaderView>
#include <QtGui/QLabel>
#include <QtGui/QMainWindow>
#include <QtGui/QPushButton>
#include <QtGui/QSpacerItem>
#include <QtGui/QVBoxLayout>
#include <QtGui/QWidget>
QT_BEGIN_NAMESPACE
class Ui_ErrorWindow
{
public:
QWidget *centralwidget;
QVBoxLayout *verticalLayout;
QSpacerItem *verticalSpacer_2;
QHBoxLayout *horizontalLayout_3;
QLabel *label;
QSpacerItem *verticalSpacer;
QHBoxLayout *horizontalLayout;
QSpacerItem *horizontalSpacer;
QPushButton *pushButton;
QSpacerItem *horizontalSpacer_2;
void setupUi(QMainWindow *ErrorWindow)
{
if (ErrorWindow->objectName().isEmpty())
ErrorWindow->setObjectName(QString::fromUtf8("ErrorWindow"));
ErrorWindow->resize(287, 101);
centralwidget = new QWidget(ErrorWindow);
centralwidget->setObjectName(QString::fromUtf8("centralwidget"));
verticalLayout = new QVBoxLayout(centralwidget);
verticalLayout->setObjectName(QString::fromUtf8("verticalLayout"));
verticalSpacer_2 = new QSpacerItem(20, 10, QSizePolicy::Minimum, QSizePolicy::Expanding);
verticalLayout->addItem(verticalSpacer_2);
horizontalLayout_3 = new QHBoxLayout();
horizontalLayout_3->setObjectName(QString::fromUtf8("horizontalLayout_3"));
label = new QLabel(centralwidget);
label->setObjectName(QString::fromUtf8("label"));
label->setMinimumSize(QSize(0, 30));
label->setAlignment(Qt::AlignCenter);
horizontalLayout_3->addWidget(label);
verticalLayout->addLayout(horizontalLayout_3);
verticalSpacer = new QSpacerItem(20, 10, QSizePolicy::Minimum, QSizePolicy::Expanding);
verticalLayout->addItem(verticalSpacer);
horizontalLayout = new QHBoxLayout();
horizontalLayout->setObjectName(QString::fromUtf8("horizontalLayout"));
horizontalSpacer = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum);
horizontalLayout->addItem(horizontalSpacer);
pushButton = new QPushButton(centralwidget);
pushButton->setObjectName(QString::fromUtf8("pushButton"));
pushButton->setMinimumSize(QSize(80, 23));
horizontalLayout->addWidget(pushButton);
horizontalSpacer_2 = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum);
horizontalLayout->addItem(horizontalSpacer_2);
verticalLayout->addLayout(horizontalLayout);
ErrorWindow->setCentralWidget(centralwidget);
retranslateUi(ErrorWindow);
QObject::connect(pushButton, SIGNAL(clicked()), ErrorWindow, SLOT(close()));
QMetaObject::connectSlotsByName(ErrorWindow);
} // setupUi
void retranslateUi(QMainWindow *ErrorWindow)
{
ErrorWindow->setWindowTitle(QApplication::translate("ErrorWindow", "Error", 0, QApplication::UnicodeUTF8));
label->setText(QApplication::translate("ErrorWindow", "Error text", 0, QApplication::UnicodeUTF8));
pushButton->setText(QApplication::translate("ErrorWindow", "Ok", 0, QApplication::UnicodeUTF8));
} // retranslateUi
};
namespace Ui {
class ErrorWindow: public Ui_ErrorWindow {};
} // namespace Ui
QT_END_NAMESPACE
#endif // UI_ERRORWINDOW_H

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/********************************************************************************
** Form generated from reading UI file 'settingswindow.ui'
**
** Created by: Qt User Interface Compiler version 4.8.5
**
** WARNING! All changes made in this file will be lost when recompiling UI file!
********************************************************************************/
#ifndef UI_SETTINGSWINDOW_H
#define UI_SETTINGSWINDOW_H
#include <QtCore/QVariant>
#include <QtGui/QAction>
#include <QtGui/QApplication>
#include <QtGui/QButtonGroup>
#include <QtGui/QComboBox>
#include <QtGui/QHBoxLayout>
#include <QtGui/QHeaderView>
#include <QtGui/QLabel>
#include <QtGui/QLineEdit>
#include <QtGui/QMainWindow>
#include <QtGui/QPushButton>
#include <QtGui/QSpacerItem>
#include <QtGui/QVBoxLayout>
#include <QtGui/QWidget>
QT_BEGIN_NAMESPACE
class Ui_SettingsWindow
{
public:
QWidget *centralwidget;
QVBoxLayout *verticalLayout;
QHBoxLayout *settings_layout_trj;
QLabel *settings_label_trj;
QLineEdit *settings_lineEdit_trj;
QPushButton *settings_pushButton_trj;
QHBoxLayout *settings_layout_statgen;
QLabel *settings_label_statgen;
QLineEdit *settings_lineEdit_statgen;
QPushButton *settings_pushButton_statgen;
QHBoxLayout *settings_layout_envir;
QLabel *settings_label_envir;
QLineEdit *settings_lineEdit_envir;
QPushButton *settings_pushButton_envir;
QHBoxLayout *settings_layout_radf;
QLabel *settings_label_radf;
QLineEdit *settings_lineEdit_radf;
QPushButton *settings_pushButton_radf;
QHBoxLayout *settings_layout_trj2pdb;
QLabel *settings_label_trj2pdb;
QLineEdit *settings_lineEdit_trj2pdb;
QPushButton *settings_pushButton_trj2pdb;
QHBoxLayout *settings_layout_agl;
QLabel *settings_label_agl;
QLineEdit *settings_lineEdit_agl;
QPushButton *settings_pushButton_agl;
QHBoxLayout *settings_layout_lang;
QLabel *settings_label_lang;
QComboBox *settings_comboBox_lang;
QSpacerItem *verticalSpacer;
QHBoxLayout *settings_layout_buttons;
QSpacerItem *horizontalSpacer;
QPushButton *settings_pushButton_save;
QPushButton *settings_pushButton_close;
void setupUi(QMainWindow *SettingsWindow)
{
if (SettingsWindow->objectName().isEmpty())
SettingsWindow->setObjectName(QString::fromUtf8("SettingsWindow"));
SettingsWindow->resize(392, 320);
centralwidget = new QWidget(SettingsWindow);
centralwidget->setObjectName(QString::fromUtf8("centralwidget"));
verticalLayout = new QVBoxLayout(centralwidget);
verticalLayout->setObjectName(QString::fromUtf8("verticalLayout"));
settings_layout_trj = new QHBoxLayout();
settings_layout_trj->setObjectName(QString::fromUtf8("settings_layout_trj"));
settings_label_trj = new QLabel(centralwidget);
settings_label_trj->setObjectName(QString::fromUtf8("settings_label_trj"));
settings_label_trj->setMinimumSize(QSize(110, 23));
settings_layout_trj->addWidget(settings_label_trj);
settings_lineEdit_trj = new QLineEdit(centralwidget);
settings_lineEdit_trj->setObjectName(QString::fromUtf8("settings_lineEdit_trj"));
settings_layout_trj->addWidget(settings_lineEdit_trj);
settings_pushButton_trj = new QPushButton(centralwidget);
settings_pushButton_trj->setObjectName(QString::fromUtf8("settings_pushButton_trj"));
settings_pushButton_trj->setMinimumSize(QSize(80, 23));
settings_pushButton_trj->setAutoDefault(true);
settings_layout_trj->addWidget(settings_pushButton_trj);
verticalLayout->addLayout(settings_layout_trj);
settings_layout_statgen = new QHBoxLayout();
settings_layout_statgen->setObjectName(QString::fromUtf8("settings_layout_statgen"));
settings_label_statgen = new QLabel(centralwidget);
settings_label_statgen->setObjectName(QString::fromUtf8("settings_label_statgen"));
settings_label_statgen->setMinimumSize(QSize(110, 23));
settings_layout_statgen->addWidget(settings_label_statgen);
settings_lineEdit_statgen = new QLineEdit(centralwidget);
settings_lineEdit_statgen->setObjectName(QString::fromUtf8("settings_lineEdit_statgen"));
settings_layout_statgen->addWidget(settings_lineEdit_statgen);
settings_pushButton_statgen = new QPushButton(centralwidget);
settings_pushButton_statgen->setObjectName(QString::fromUtf8("settings_pushButton_statgen"));
settings_pushButton_statgen->setMinimumSize(QSize(80, 23));
settings_pushButton_statgen->setAutoDefault(true);
settings_layout_statgen->addWidget(settings_pushButton_statgen);
verticalLayout->addLayout(settings_layout_statgen);
settings_layout_envir = new QHBoxLayout();
settings_layout_envir->setObjectName(QString::fromUtf8("settings_layout_envir"));
settings_label_envir = new QLabel(centralwidget);
settings_label_envir->setObjectName(QString::fromUtf8("settings_label_envir"));
settings_label_envir->setMinimumSize(QSize(110, 23));
settings_layout_envir->addWidget(settings_label_envir);
settings_lineEdit_envir = new QLineEdit(centralwidget);
settings_lineEdit_envir->setObjectName(QString::fromUtf8("settings_lineEdit_envir"));
settings_layout_envir->addWidget(settings_lineEdit_envir);
settings_pushButton_envir = new QPushButton(centralwidget);
settings_pushButton_envir->setObjectName(QString::fromUtf8("settings_pushButton_envir"));
settings_pushButton_envir->setMinimumSize(QSize(80, 23));
settings_pushButton_envir->setAutoDefault(true);
settings_layout_envir->addWidget(settings_pushButton_envir);
verticalLayout->addLayout(settings_layout_envir);
settings_layout_radf = new QHBoxLayout();
settings_layout_radf->setObjectName(QString::fromUtf8("settings_layout_radf"));
settings_label_radf = new QLabel(centralwidget);
settings_label_radf->setObjectName(QString::fromUtf8("settings_label_radf"));
settings_label_radf->setMinimumSize(QSize(110, 23));
settings_layout_radf->addWidget(settings_label_radf);
settings_lineEdit_radf = new QLineEdit(centralwidget);
settings_lineEdit_radf->setObjectName(QString::fromUtf8("settings_lineEdit_radf"));
settings_layout_radf->addWidget(settings_lineEdit_radf);
settings_pushButton_radf = new QPushButton(centralwidget);
settings_pushButton_radf->setObjectName(QString::fromUtf8("settings_pushButton_radf"));
settings_pushButton_radf->setMinimumSize(QSize(80, 23));
settings_pushButton_radf->setAutoDefault(true);
settings_layout_radf->addWidget(settings_pushButton_radf);
verticalLayout->addLayout(settings_layout_radf);
settings_layout_trj2pdb = new QHBoxLayout();
settings_layout_trj2pdb->setObjectName(QString::fromUtf8("settings_layout_trj2pdb"));
settings_label_trj2pdb = new QLabel(centralwidget);
settings_label_trj2pdb->setObjectName(QString::fromUtf8("settings_label_trj2pdb"));
settings_label_trj2pdb->setMinimumSize(QSize(110, 23));
settings_layout_trj2pdb->addWidget(settings_label_trj2pdb);
settings_lineEdit_trj2pdb = new QLineEdit(centralwidget);
settings_lineEdit_trj2pdb->setObjectName(QString::fromUtf8("settings_lineEdit_trj2pdb"));
settings_layout_trj2pdb->addWidget(settings_lineEdit_trj2pdb);
settings_pushButton_trj2pdb = new QPushButton(centralwidget);
settings_pushButton_trj2pdb->setObjectName(QString::fromUtf8("settings_pushButton_trj2pdb"));
settings_pushButton_trj2pdb->setMinimumSize(QSize(80, 23));
settings_pushButton_trj2pdb->setAutoDefault(true);
settings_layout_trj2pdb->addWidget(settings_pushButton_trj2pdb);
verticalLayout->addLayout(settings_layout_trj2pdb);
settings_layout_agl = new QHBoxLayout();
settings_layout_agl->setObjectName(QString::fromUtf8("settings_layout_agl"));
settings_label_agl = new QLabel(centralwidget);
settings_label_agl->setObjectName(QString::fromUtf8("settings_label_agl"));
settings_label_agl->setMinimumSize(QSize(110, 0));
settings_layout_agl->addWidget(settings_label_agl);
settings_lineEdit_agl = new QLineEdit(centralwidget);
settings_lineEdit_agl->setObjectName(QString::fromUtf8("settings_lineEdit_agl"));
settings_layout_agl->addWidget(settings_lineEdit_agl);
settings_pushButton_agl = new QPushButton(centralwidget);
settings_pushButton_agl->setObjectName(QString::fromUtf8("settings_pushButton_agl"));
settings_pushButton_agl->setMinimumSize(QSize(80, 23));
settings_pushButton_agl->setAutoDefault(true);
settings_layout_agl->addWidget(settings_pushButton_agl);
verticalLayout->addLayout(settings_layout_agl);
settings_layout_lang = new QHBoxLayout();
settings_layout_lang->setObjectName(QString::fromUtf8("settings_layout_lang"));
settings_label_lang = new QLabel(centralwidget);
settings_label_lang->setObjectName(QString::fromUtf8("settings_label_lang"));
settings_label_lang->setMinimumSize(QSize(110, 23));
settings_label_lang->setText(QString::fromUtf8("Language"));
settings_layout_lang->addWidget(settings_label_lang);
settings_comboBox_lang = new QComboBox(centralwidget);
settings_comboBox_lang->setObjectName(QString::fromUtf8("settings_comboBox_lang"));
QSizePolicy sizePolicy(QSizePolicy::Expanding, QSizePolicy::Fixed);
sizePolicy.setHorizontalStretch(0);
sizePolicy.setVerticalStretch(0);
sizePolicy.setHeightForWidth(settings_comboBox_lang->sizePolicy().hasHeightForWidth());
settings_comboBox_lang->setSizePolicy(sizePolicy);
settings_layout_lang->addWidget(settings_comboBox_lang);
verticalLayout->addLayout(settings_layout_lang);
verticalSpacer = new QSpacerItem(20, 51, QSizePolicy::Minimum, QSizePolicy::Expanding);
verticalLayout->addItem(verticalSpacer);
settings_layout_buttons = new QHBoxLayout();
settings_layout_buttons->setObjectName(QString::fromUtf8("settings_layout_buttons"));
horizontalSpacer = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum);
settings_layout_buttons->addItem(horizontalSpacer);
settings_pushButton_save = new QPushButton(centralwidget);
settings_pushButton_save->setObjectName(QString::fromUtf8("settings_pushButton_save"));
settings_pushButton_save->setMinimumSize(QSize(80, 23));
settings_pushButton_save->setAutoDefault(true);
settings_layout_buttons->addWidget(settings_pushButton_save);
settings_pushButton_close = new QPushButton(centralwidget);
settings_pushButton_close->setObjectName(QString::fromUtf8("settings_pushButton_close"));
settings_pushButton_close->setMinimumSize(QSize(80, 23));
settings_pushButton_close->setAutoDefault(true);
settings_layout_buttons->addWidget(settings_pushButton_close);
verticalLayout->addLayout(settings_layout_buttons);
SettingsWindow->setCentralWidget(centralwidget);
QWidget::setTabOrder(settings_lineEdit_trj, settings_pushButton_trj);
QWidget::setTabOrder(settings_pushButton_trj, settings_lineEdit_statgen);
QWidget::setTabOrder(settings_lineEdit_statgen, settings_pushButton_statgen);
QWidget::setTabOrder(settings_pushButton_statgen, settings_lineEdit_envir);
QWidget::setTabOrder(settings_lineEdit_envir, settings_pushButton_envir);
QWidget::setTabOrder(settings_pushButton_envir, settings_lineEdit_radf);
QWidget::setTabOrder(settings_lineEdit_radf, settings_pushButton_radf);
QWidget::setTabOrder(settings_pushButton_radf, settings_lineEdit_trj2pdb);
QWidget::setTabOrder(settings_lineEdit_trj2pdb, settings_pushButton_trj2pdb);
QWidget::setTabOrder(settings_pushButton_trj2pdb, settings_lineEdit_agl);
QWidget::setTabOrder(settings_lineEdit_agl, settings_pushButton_agl);
QWidget::setTabOrder(settings_pushButton_agl, settings_comboBox_lang);
QWidget::setTabOrder(settings_comboBox_lang, settings_pushButton_close);
QWidget::setTabOrder(settings_pushButton_close, settings_pushButton_save);
retranslateUi(SettingsWindow);
QObject::connect(settings_pushButton_close, SIGNAL(clicked()), SettingsWindow, SLOT(close()));
QMetaObject::connectSlotsByName(SettingsWindow);
} // setupUi
void retranslateUi(QMainWindow *SettingsWindow)
{
SettingsWindow->setWindowTitle(QApplication::translate("SettingsWindow", "Settings", 0, QApplication::UnicodeUTF8));
settings_label_trj->setText(QApplication::translate("SettingsWindow", "mm_trj", 0, QApplication::UnicodeUTF8));
settings_pushButton_trj->setText(QApplication::translate("SettingsWindow", "Browse", 0, QApplication::UnicodeUTF8));
settings_label_statgen->setText(QApplication::translate("SettingsWindow", "mm_statgen", 0, QApplication::UnicodeUTF8));
settings_pushButton_statgen->setText(QApplication::translate("SettingsWindow", "Browse", 0, QApplication::UnicodeUTF8));
settings_label_envir->setText(QApplication::translate("SettingsWindow", "mm_envir", 0, QApplication::UnicodeUTF8));
settings_pushButton_envir->setText(QApplication::translate("SettingsWindow", "Browse", 0, QApplication::UnicodeUTF8));
settings_label_radf->setText(QApplication::translate("SettingsWindow", "mm_radf", 0, QApplication::UnicodeUTF8));
settings_pushButton_radf->setText(QApplication::translate("SettingsWindow", "Browse", 0, QApplication::UnicodeUTF8));
settings_label_trj2pdb->setText(QApplication::translate("SettingsWindow", "mm_trj2pdb", 0, QApplication::UnicodeUTF8));
settings_pushButton_trj2pdb->setText(QApplication::translate("SettingsWindow", "Browse", 0, QApplication::UnicodeUTF8));
settings_label_agl->setText(QApplication::translate("SettingsWindow", "mm_agl", 0, QApplication::UnicodeUTF8));
settings_pushButton_agl->setText(QApplication::translate("SettingsWindow", "Browse", 0, QApplication::UnicodeUTF8));
settings_comboBox_lang->clear();
settings_comboBox_lang->insertItems(0, QStringList()
<< QApplication::translate("SettingsWindow", "English", 0, QApplication::UnicodeUTF8)
<< QApplication::translate("SettingsWindow", "Russian", 0, QApplication::UnicodeUTF8)
);
settings_pushButton_save->setText(QApplication::translate("SettingsWindow", "Save", 0, QApplication::UnicodeUTF8));
settings_pushButton_close->setText(QApplication::translate("SettingsWindow", "Close", 0, QApplication::UnicodeUTF8));
} // retranslateUi
};
namespace Ui {
class SettingsWindow: public Ui_SettingsWindow {};
} // namespace Ui
QT_END_NAMESPACE
#endif // UI_SETTINGSWINDOW_H

92
mathmech/ui_statgengraphwindow.h Normal file
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@ -0,0 +1,92 @@
/********************************************************************************
** Form generated from reading UI file 'statgengraphwindow.ui'
**
** Created by: Qt User Interface Compiler version 4.8.5
**
** WARNING! All changes made in this file will be lost when recompiling UI file!
********************************************************************************/
#ifndef UI_STATGENGRAPHWINDOW_H
#define UI_STATGENGRAPHWINDOW_H
#include <QtCore/QVariant>
#include <QtGui/QAction>
#include <QtGui/QApplication>
#include <QtGui/QButtonGroup>
#include <QtGui/QHBoxLayout>
#include <QtGui/QHeaderView>
#include <QtGui/QMainWindow>
#include <QtGui/QPushButton>
#include <QtGui/QSpacerItem>
#include <QtGui/QVBoxLayout>
#include <QtGui/QWidget>
QT_BEGIN_NAMESPACE
class Ui_StatgenGraphWindow
{
public:
QWidget *centralwidget;
QVBoxLayout *verticalLayout;
QHBoxLayout *graph_layout_buttons;
QSpacerItem *horizontalSpacer;
QPushButton *graph_pushButton_save;
QPushButton *graph_pushButton_close;
void setupUi(QMainWindow *StatgenGraphWindow)
{
if (StatgenGraphWindow->objectName().isEmpty())
StatgenGraphWindow->setObjectName(QString::fromUtf8("StatgenGraphWindow"));
StatgenGraphWindow->resize(418, 299);
centralwidget = new QWidget(StatgenGraphWindow);
centralwidget->setObjectName(QString::fromUtf8("centralwidget"));
verticalLayout = new QVBoxLayout(centralwidget);
verticalLayout->setObjectName(QString::fromUtf8("verticalLayout"));
graph_layout_buttons = new QHBoxLayout();
graph_layout_buttons->setObjectName(QString::fromUtf8("graph_layout_buttons"));
horizontalSpacer = new QSpacerItem(40, 20, QSizePolicy::Expanding, QSizePolicy::Minimum);
graph_layout_buttons->addItem(horizontalSpacer);
graph_pushButton_save = new QPushButton(centralwidget);
graph_pushButton_save->setObjectName(QString::fromUtf8("graph_pushButton_save"));
graph_pushButton_save->setMinimumSize(QSize(80, 23));
graph_pushButton_save->setAutoDefault(true);
graph_layout_buttons->addWidget(graph_pushButton_save);
graph_pushButton_close = new QPushButton(centralwidget);
graph_pushButton_close->setObjectName(QString::fromUtf8("graph_pushButton_close"));
graph_pushButton_close->setMinimumSize(QSize(80, 23));
graph_pushButton_close->setAutoDefault(true);
graph_layout_buttons->addWidget(graph_pushButton_close);
verticalLayout->addLayout(graph_layout_buttons);
StatgenGraphWindow->setCentralWidget(centralwidget);
QWidget::setTabOrder(graph_pushButton_save, graph_pushButton_close);
retranslateUi(StatgenGraphWindow);
QObject::connect(graph_pushButton_close, SIGNAL(clicked()), StatgenGraphWindow, SLOT(close()));
QMetaObject::connectSlotsByName(StatgenGraphWindow);
} // setupUi
void retranslateUi(QMainWindow *StatgenGraphWindow)
{
StatgenGraphWindow->setWindowTitle(QApplication::translate("StatgenGraphWindow", "Graph", 0, QApplication::UnicodeUTF8));
graph_pushButton_save->setText(QApplication::translate("StatgenGraphWindow", "Save", 0, QApplication::UnicodeUTF8));
graph_pushButton_close->setText(QApplication::translate("StatgenGraphWindow", "Close", 0, QApplication::UnicodeUTF8));
} // retranslateUi
};
namespace Ui {
class StatgenGraphWindow: public Ui_StatgenGraphWindow {};
} // namespace Ui
QT_END_NAMESPACE
#endif // UI_STATGENGRAPHWINDOW_H

4
mathmech/update_fields.cpp
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@ -1,11 +1,11 @@
#include <QDir>
#include <math.h>
#include "update_fields.h"
#include "mainwindow.h"
#include "ui_mainwindow.h"
#include "update_fields.h"
Update_fields::Update_fields(MainWindow *wid) :
parent(wid)
{