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Added agglwindow

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arcan1s
2013-08-09 19:45:42 +04:00
parent f7bdd89940
commit abf7bce7df
22 changed files with 4158 additions and 18 deletions
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37
mathmech/Makefile
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@ -1,6 +1,6 @@
############################################################################# #############################################################################
# Makefile for building: mathmech # Makefile for building: mathmech
# Generated by qmake (2.01a) (Qt 4.8.5) on: ?? ??? 8 17:13:39 2013 # Generated by qmake (2.01a) (Qt 4.8.5) on: ?? ??? 8 19:45:57 2013
# Project: mathmech.pro # Project: mathmech.pro
# Template: app # Template: app
# Command: /usr/lib/qt4/bin/qmake -o Makefile mathmech.pro # Command: /usr/lib/qt4/bin/qmake -o Makefile mathmech.pro
@ -49,12 +49,14 @@ SOURCES = main.cpp \
clear_items.cpp \ clear_items.cpp \
start_events.cpp \ start_events.cpp \
update_fields.cpp \ update_fields.cpp \
atomtypeswindow.cpp moc_mainwindow.cpp \ atomtypeswindow.cpp \
agglwindow.cpp moc_mainwindow.cpp \
moc_errorwindow.cpp \ moc_errorwindow.cpp \
moc_clear_items.cpp \ moc_clear_items.cpp \
moc_start_events.cpp \ moc_start_events.cpp \
moc_update_fields.cpp \ moc_update_fields.cpp \
moc_atomtypeswindow.cpp moc_atomtypeswindow.cpp \
moc_agglwindow.cpp
OBJECTS = main.o \ OBJECTS = main.o \
mainwindow.o \ mainwindow.o \
errorwindow.o \ errorwindow.o \
@ -62,12 +64,14 @@ OBJECTS = main.o \
start_events.o \ start_events.o \
update_fields.o \ update_fields.o \
atomtypeswindow.o \ atomtypeswindow.o \
agglwindow.o \
moc_mainwindow.o \ moc_mainwindow.o \
moc_errorwindow.o \ moc_errorwindow.o \
moc_clear_items.o \ moc_clear_items.o \
moc_start_events.o \ moc_start_events.o \
moc_update_fields.o \ moc_update_fields.o \
moc_atomtypeswindow.o moc_atomtypeswindow.o \
moc_agglwindow.o
DIST = /usr/share/qt4/mkspecs/common/unix.conf \ DIST = /usr/share/qt4/mkspecs/common/unix.conf \
/usr/share/qt4/mkspecs/common/linux.conf \ /usr/share/qt4/mkspecs/common/linux.conf \
/usr/share/qt4/mkspecs/common/gcc-base.conf \ /usr/share/qt4/mkspecs/common/gcc-base.conf \
@ -123,7 +127,7 @@ first: all
all: Makefile $(TARGET) all: Makefile $(TARGET)
$(TARGET): ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h $(OBJECTS) $(TARGET): ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h ui_agglwindow.h $(OBJECTS)
$(LINK) $(LFLAGS) -o $(TARGET) $(OBJECTS) $(OBJCOMP) $(LIBS) $(LINK) $(LFLAGS) -o $(TARGET) $(OBJECTS) $(OBJCOMP) $(LIBS)
Makefile: mathmech.pro /usr/share/qt4/mkspecs/linux-g++/qmake.conf /usr/share/qt4/mkspecs/common/unix.conf \ Makefile: mathmech.pro /usr/share/qt4/mkspecs/linux-g++/qmake.conf /usr/share/qt4/mkspecs/common/unix.conf \
@ -188,7 +192,7 @@ qmake: FORCE
dist: dist:
@$(CHK_DIR_EXISTS) .tmp/mathmech1.0.0 || $(MKDIR) .tmp/mathmech1.0.0 @$(CHK_DIR_EXISTS) .tmp/mathmech1.0.0 || $(MKDIR) .tmp/mathmech1.0.0
$(COPY_FILE) --parents $(SOURCES) $(DIST) .tmp/mathmech1.0.0/ && $(COPY_FILE) --parents mainwindow.h errorwindow.h clear_items.h start_events.h update_fields.h atomtypeswindow.h .tmp/mathmech1.0.0/ && $(COPY_FILE) --parents main.cpp mainwindow.cpp errorwindow.cpp clear_items.cpp start_events.cpp update_fields.cpp atomtypeswindow.cpp .tmp/mathmech1.0.0/ && $(COPY_FILE) --parents mainwindow.ui errorwindow.ui atomtypeswindow.ui .tmp/mathmech1.0.0/ && (cd `dirname .tmp/mathmech1.0.0` && $(TAR) mathmech1.0.0.tar mathmech1.0.0 && $(COMPRESS) mathmech1.0.0.tar) && $(MOVE) `dirname .tmp/mathmech1.0.0`/mathmech1.0.0.tar.gz . && $(DEL_FILE) -r .tmp/mathmech1.0.0 $(COPY_FILE) --parents $(SOURCES) $(DIST) .tmp/mathmech1.0.0/ && $(COPY_FILE) --parents mainwindow.h errorwindow.h clear_items.h start_events.h update_fields.h atomtypeswindow.h agglwindow.h .tmp/mathmech1.0.0/ && $(COPY_FILE) --parents main.cpp mainwindow.cpp errorwindow.cpp clear_items.cpp start_events.cpp update_fields.cpp atomtypeswindow.cpp agglwindow.cpp .tmp/mathmech1.0.0/ && $(COPY_FILE) --parents mainwindow.ui errorwindow.ui atomtypeswindow.ui agglwindow.ui .tmp/mathmech1.0.0/ && (cd `dirname .tmp/mathmech1.0.0` && $(TAR) mathmech1.0.0.tar mathmech1.0.0 && $(COMPRESS) mathmech1.0.0.tar) && $(MOVE) `dirname .tmp/mathmech1.0.0`/mathmech1.0.0.tar.gz . && $(DEL_FILE) -r .tmp/mathmech1.0.0
clean:compiler_clean clean:compiler_clean
@ -209,9 +213,9 @@ mocclean: compiler_moc_header_clean compiler_moc_source_clean
mocables: compiler_moc_header_make_all compiler_moc_source_make_all mocables: compiler_moc_header_make_all compiler_moc_source_make_all
compiler_moc_header_make_all: moc_mainwindow.cpp moc_errorwindow.cpp moc_clear_items.cpp moc_start_events.cpp moc_update_fields.cpp moc_atomtypeswindow.cpp compiler_moc_header_make_all: moc_mainwindow.cpp moc_errorwindow.cpp moc_clear_items.cpp moc_start_events.cpp moc_update_fields.cpp moc_atomtypeswindow.cpp moc_agglwindow.cpp
compiler_moc_header_clean: compiler_moc_header_clean:
-$(DEL_FILE) moc_mainwindow.cpp moc_errorwindow.cpp moc_clear_items.cpp moc_start_events.cpp moc_update_fields.cpp moc_atomtypeswindow.cpp -$(DEL_FILE) moc_mainwindow.cpp moc_errorwindow.cpp moc_clear_items.cpp moc_start_events.cpp moc_update_fields.cpp moc_atomtypeswindow.cpp moc_agglwindow.cpp
moc_mainwindow.cpp: mainwindow.h moc_mainwindow.cpp: mainwindow.h
/usr/lib/qt4/bin/moc $(DEFINES) $(INCPATH) mainwindow.h -o moc_mainwindow.cpp /usr/lib/qt4/bin/moc $(DEFINES) $(INCPATH) mainwindow.h -o moc_mainwindow.cpp
@ -230,6 +234,9 @@ moc_update_fields.cpp: update_fields.h
moc_atomtypeswindow.cpp: atomtypeswindow.h moc_atomtypeswindow.cpp: atomtypeswindow.h
/usr/lib/qt4/bin/moc $(DEFINES) $(INCPATH) atomtypeswindow.h -o moc_atomtypeswindow.cpp /usr/lib/qt4/bin/moc $(DEFINES) $(INCPATH) atomtypeswindow.h -o moc_atomtypeswindow.cpp
moc_agglwindow.cpp: agglwindow.h
/usr/lib/qt4/bin/moc $(DEFINES) $(INCPATH) agglwindow.h -o moc_agglwindow.cpp
compiler_rcc_make_all: compiler_rcc_make_all:
compiler_rcc_clean: compiler_rcc_clean:
compiler_image_collection_make_all: qmake_image_collection.cpp compiler_image_collection_make_all: qmake_image_collection.cpp
@ -237,9 +244,9 @@ compiler_image_collection_clean:
-$(DEL_FILE) qmake_image_collection.cpp -$(DEL_FILE) qmake_image_collection.cpp
compiler_moc_source_make_all: compiler_moc_source_make_all:
compiler_moc_source_clean: compiler_moc_source_clean:
compiler_uic_make_all: ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h compiler_uic_make_all: ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h ui_agglwindow.h
compiler_uic_clean: compiler_uic_clean:
-$(DEL_FILE) ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h -$(DEL_FILE) ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h ui_agglwindow.h
ui_mainwindow.h: mainwindow.ui ui_mainwindow.h: mainwindow.ui
/usr/lib/qt4/bin/uic mainwindow.ui -o ui_mainwindow.h /usr/lib/qt4/bin/uic mainwindow.ui -o ui_mainwindow.h
@ -249,6 +256,9 @@ ui_errorwindow.h: errorwindow.ui
ui_atomtypeswindow.h: atomtypeswindow.ui ui_atomtypeswindow.h: atomtypeswindow.ui
/usr/lib/qt4/bin/uic atomtypeswindow.ui -o ui_atomtypeswindow.h /usr/lib/qt4/bin/uic atomtypeswindow.ui -o ui_atomtypeswindow.h
ui_agglwindow.h: agglwindow.ui
/usr/lib/qt4/bin/uic agglwindow.ui -o ui_agglwindow.h
compiler_yacc_decl_make_all: compiler_yacc_decl_make_all:
compiler_yacc_decl_clean: compiler_yacc_decl_clean:
compiler_yacc_impl_make_all: compiler_yacc_impl_make_all:
@ -297,6 +307,10 @@ atomtypeswindow.o: atomtypeswindow.cpp atomtypeswindow.h \
ui_errorwindow.h ui_errorwindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o atomtypeswindow.o atomtypeswindow.cpp $(CXX) -c $(CXXFLAGS) $(INCPATH) -o atomtypeswindow.o atomtypeswindow.cpp
agglwindow.o: agglwindow.cpp agglwindow.h \
ui_agglwindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o agglwindow.o agglwindow.cpp
moc_mainwindow.o: moc_mainwindow.cpp moc_mainwindow.o: moc_mainwindow.cpp
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o moc_mainwindow.o moc_mainwindow.cpp $(CXX) -c $(CXXFLAGS) $(INCPATH) -o moc_mainwindow.o moc_mainwindow.cpp
@ -315,6 +329,9 @@ moc_update_fields.o: moc_update_fields.cpp
moc_atomtypeswindow.o: moc_atomtypeswindow.cpp moc_atomtypeswindow.o: moc_atomtypeswindow.cpp
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o moc_atomtypeswindow.o moc_atomtypeswindow.cpp $(CXX) -c $(CXXFLAGS) $(INCPATH) -o moc_atomtypeswindow.o moc_atomtypeswindow.cpp
moc_agglwindow.o: moc_agglwindow.cpp
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o moc_agglwindow.o moc_agglwindow.cpp
####### Install ####### Install
install: FORCE install: FORCE

186
mathmech/agglwindow.cpp Normal file
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@ -0,0 +1,186 @@
#include <QDir>
#include <QFileDialog>
#include <QKeyEvent>
#include <QTextStream>
#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)
{
ui->setupUi(this);
ui->agl_lineEdit_input->setText(inputfile);
}
AgglWindow::~AgglWindow()
{
delete ui;
}
// ESC press event
void AgglWindow::keyPressEvent(QKeyEvent *pressedKey)
{
if (pressedKey->key() == Qt::Key_Escape)
close();
}
// events
void AgglWindow::on_agl_pushButton_input_clicked()
{
QString filename = QFileDialog::getOpenFileName(
this,
tr("Select file"),
QDir::currentPath(),
tr("'statgen' output files (*.dat);;All files (*.*)"));
if (!filename.isEmpty())
ui->agl_lineEdit_input->setText(filename);
}
void AgglWindow::on_pushButton_clicked()
{
errorwin = new ErrorWindow(this);
QString input = ui->agl_lineEdit_input->text();
QString tmp_str;
QFile inp_agl(input);
bool exists = inp_agl.open(QIODevice::ReadOnly);
if ((input == "") || (!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;
}
while (!tmp_str.contains(QString("END")))
tmp_str = QString(inp_agl.readLine());
QStringList cur_aggl_mol, one_file_aggl, one_file_aggl_mol;
int mol;
while (!tmp_str.contains(QString("SUMMARY STATISTIC")))
{
tmp_str = QString(inp_agl.readLine());
if (tmp_str.contains(QString("FILE=")))
{
inp_file.append(tmp_str.split(QString("FILE="), QString::SkipEmptyParts)[0].
split(QString("\n"), QString::SkipEmptyParts)[0]);
aggl.append(one_file_aggl.join(QString(";")));
one_file_aggl.clear();
aggl_mol.append(one_file_aggl_mol.join(QString(";")));
one_file_aggl_mol.clear();
}
else if (tmp_str.contains(QString("AGL=")))
{
cur_aggl_mol.clear();
mol = tmp_str.split('=')[1].toInt();
one_file_aggl.append(tmp_str.split(QString("AGL="), QString::SkipEmptyParts)[0].
split(QString("\n"), QString::SkipEmptyParts)[0]);
for (int i=0; i<mol; i++)
{
tmp_str = QString(inp_agl.readLine());
cur_aggl_mol.append(tmp_str);
}
one_file_aggl_mol.append(cur_aggl_mol.join(QString("")));
}
}
aggl.append(one_file_aggl.join(QString(";")));
one_file_aggl.clear();
aggl.removeFirst();
aggl_mol.append(one_file_aggl_mol.join(QString(";")));
one_file_aggl_mol.clear();
aggl_mol.removeFirst();
inp_agl.close();
ui->agl_comboBox->clear();
ui->agl_comboBox->addItems(inp_file);
delete errorwin;
}
void AgglWindow::on_agl_comboBox_currentIndexChanged(int index)
{
ui->agl_listWidget->clear();
ui->agl_textBrowser->clear();
if (index != -1)
{
ui->agl_listWidget->addItems(aggl[index].split(QString(";")));
ui->agl_listWidget->setCurrentRow(0);
}
}
void AgglWindow::on_agl_listWidget_itemActivated()
{
int index = ui->agl_listWidget->currentRow();
ui->agl_textBrowser->clear();
ui->agl_textBrowser->setText(aggl_mol[ui->agl_comboBox->currentIndex()].split(QString(";"))[index]);
ui->agl_lineEdit_output->setText(QFileInfo(ui->agl_lineEdit_input->text()).canonicalPath() + QDir::separator() +
QFileInfo(ui->agl_lineEdit_input->text()).completeBaseName() +
QString("_") + QString::number(ui->agl_comboBox->currentIndex()) +
QString("_") + QString::number(index) + QString(".agl"));
}
void AgglWindow::on_agl_pushButton_output_clicked()
{
QString filename = QFileDialog::getSaveFileName(
this,
tr("Save file as..."),
QDir::currentPath(),
tr("Agglomerate files (*.agl);;All files (*.*)"));
if (!filename.isEmpty())
ui->agl_lineEdit_output->setText(filename);
}
void AgglWindow::on_agl_pushButton_clear_clicked()
{
aggl.clear();
aggl_mol.clear();
inp_file.clear();
ui->agl_comboBox->clear();
ui->agl_lineEdit_input->clear();
ui->agl_lineEdit_output->clear();
}
void AgglWindow::on_agl_pushButton_create_clicked()
{
errorwin = new ErrorWindow(this);
QString output = ui->agl_lineEdit_output->text();
int file_num = ui->agl_comboBox->currentIndex();
int aggl_num = ui->agl_listWidget->currentRow();
if (output == "")
{
errorwin->set_message(4);
errorwin->show();
return;
}
output = QFileInfo(output).absoluteFilePath();
QFile f_out(output);
if (!f_out.open(QIODevice::WriteOnly | QIODevice::Text))
{
errorwin->set_message(9);
errorwin->show();
return;
}
QTextStream out(&f_out);
out << "AGL=" << aggl[file_num].split(QString(";"))[aggl_num] << "\n";
out << aggl_mol[file_num].split(QString(";"))[aggl_num];
f_out.close();
ui->agl_lineEdit_output->clear();
delete errorwin;
}

41
mathmech/agglwindow.h Normal file
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@ -0,0 +1,41 @@
#ifndef AGGLWINDOW_H
#define AGGLWINDOW_H
#include <QMainWindow>
class ErrorWindow;
namespace Ui {
class AgglWindow;
}
class AgglWindow : public QMainWindow
{
Q_OBJECT
public:
explicit AgglWindow(QWidget *parent = 0, QString inputfile = "");
~AgglWindow();
private slots:
// events
void on_agl_pushButton_input_clicked();
void on_pushButton_clicked();
void on_agl_comboBox_currentIndexChanged(int index);
void on_agl_listWidget_itemActivated();
void on_agl_pushButton_output_clicked();
void on_agl_pushButton_clear_clicked();
void on_agl_pushButton_create_clicked();
private:
Ui::AgglWindow *ui;
ErrorWindow *errorwin;
QStringList inp_file;
QStringList aggl;
QStringList aggl_mol;
// ESC pressed event
void keyPressEvent(QKeyEvent *pressedKey);
};
#endif // AGGLWINDOW_H

268
mathmech/agglwindow.ui Normal file
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@ -0,0 +1,268 @@
<?xml version="1.0" encoding="UTF-8"?>
<ui version="4.0">
<class>AgglWindow</class>
<widget class="QMainWindow" name="AgglWindow">
<property name="geometry">
<rect>
<x>0</x>
<y>0</y>
<width>396</width>
<height>400</height>
</rect>
</property>
<property name="windowTitle">
<string>Agglomerate</string>
</property>
<widget class="QWidget" name="centralwidget">
<layout class="QVBoxLayout" name="verticalLayout">
<item>
<layout class="QHBoxLayout" name="agl_layout_input">
<item>
<widget class="QLabel" name="agl_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="agl_lineEdit_input">
<property name="minimumSize">
<size>
<width>100</width>
<height>23</height>
</size>
</property>
<property name="maximumSize">
<size>
<width>16777215</width>
<height>16777215</height>
</size>
</property>
</widget>
</item>
<item>
<widget class="QPushButton" name="agl_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="horizontalLayout">
<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>
<item>
<widget class="QPushButton" name="pushButton">
<property name="minimumSize">
<size>
<width>80</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Select</string>
</property>
<property name="autoDefault">
<bool>true</bool>
</property>
</widget>
</item>
</layout>
</item>
<item>
<widget class="QComboBox" name="agl_comboBox"/>
</item>
<item>
<widget class="QListWidget" name="agl_listWidget">
<property name="editTriggers">
<set>QAbstractItemView::NoEditTriggers</set>
</property>
</widget>
</item>
<item>
<widget class="QTextBrowser" name="agl_textBrowser"/>
</item>
<item>
<layout class="QHBoxLayout" name="agl_layout_output">
<item>
<widget class="QLabel" name="agl_label_output">
<property name="minimumSize">
<size>
<width>110</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Output file</string>
</property>
</widget>
</item>
<item>
<widget class="QLineEdit" name="agl_lineEdit_output">
<property name="minimumSize">
<size>
<width>100</width>
<height>23</height>
</size>
</property>
<property name="maximumSize">
<size>
<width>16777215</width>
<height>16777215</height>
</size>
</property>
</widget>
</item>
<item>
<widget class="QPushButton" name="agl_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="agl_layout_buttons">
<item>
<widget class="QPushButton" name="agl_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">
<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="agl_pushButton_create">
<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>Create</string>
</property>
<property name="autoDefault">
<bool>true</bool>
</property>
</widget>
</item>
<item>
<widget class="QPushButton" name="agl_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>
<tabstops>
<tabstop>agl_lineEdit_input</tabstop>
<tabstop>agl_pushButton_input</tabstop>
<tabstop>pushButton</tabstop>
<tabstop>agl_comboBox</tabstop>
<tabstop>agl_listWidget</tabstop>
<tabstop>agl_textBrowser</tabstop>
<tabstop>agl_lineEdit_output</tabstop>
<tabstop>agl_pushButton_output</tabstop>
<tabstop>agl_pushButton_clear</tabstop>
<tabstop>agl_pushButton_create</tabstop>
<tabstop>agl_pushButton_close</tabstop>
</tabstops>
<resources/>
<connections>
<connection>
<sender>agl_pushButton_close</sender>
<signal>clicked()</signal>
<receiver>AgglWindow</receiver>
<slot>close()</slot>
<hints>
<hint type="sourcelabel">
<x>344</x>
<y>373</y>
</hint>
<hint type="destinationlabel">
<x>350</x>
<y>398</y>
</hint>
</hints>
</connection>
</connections>
</ui>

4
mathmech/atomtypeswindow.cpp
View File

@ -104,9 +104,7 @@ void AtomTypesWindow::on_atomTypes_comboBox_mol_currentIndexChanged(int index)
ui->atomTypes_comboBox_mol->addItem(QApplication::translate("AtomTypesWindow", "Add new molecule")); ui->atomTypes_comboBox_mol->addItem(QApplication::translate("AtomTypesWindow", "Add new molecule"));
ui->atomTypes_spinBox_numOfMol->setValue(num_of_mol[index]); ui->atomTypes_spinBox_numOfMol->setValue(num_of_mol[index]);
} }
else if (index == -1) else if (index != -1)
return;
else
{ {
ui->atomTypes_spinBox_numOfMol->setValue(num_of_mol[index]); ui->atomTypes_spinBox_numOfMol->setValue(num_of_mol[index]);
ui->atomTypes_listWidget->addItems(atomTypes[index].split(',', QString::SkipEmptyParts)); ui->atomTypes_listWidget->addItems(atomTypes[index].split(',', QString::SkipEmptyParts));

2
mathmech/errorwindow.cpp
View File

@ -52,7 +52,7 @@ void ErrorWindow::set_message(int mess)
message = QApplication::translate("ErrorWindow", "Interactions are not set"); message = QApplication::translate("ErrorWindow", "Interactions are not set");
break; break;
case 11: case 11:
message = QApplication::translate("ErrorWindow", "Invalid file type");
break; break;
case 12: case 12:

9
mathmech/mainwindow.cpp
View File

@ -3,6 +3,7 @@
#include "mainwindow.h" #include "mainwindow.h"
#include "ui_mainwindow.h" #include "ui_mainwindow.h"
#include "agglwindow.h"
#include "atomtypeswindow.h" #include "atomtypeswindow.h"
#include "clear_items.h" #include "clear_items.h"
#include "start_events.h" #include "start_events.h"
@ -583,6 +584,7 @@ void MainWindow::on_tabWidget_currentChanged(int index)
void MainWindow::createActions() void MainWindow::createActions()
{ {
connect(ui->actionAtom_types_file, SIGNAL(triggered()), this, SLOT(createAtomTypes())); connect(ui->actionAtom_types_file, SIGNAL(triggered()), this, SLOT(createAtomTypes()));
connect(ui->actionAgglomerate_file, SIGNAL(triggered()), this, SLOT(createAgglFile()));
} }
void MainWindow::createAtomTypes() void MainWindow::createAtomTypes()
@ -591,3 +593,10 @@ void MainWindow::createAtomTypes()
atomTypes = new AtomTypesWindow(this); atomTypes = new AtomTypesWindow(this);
atomTypes->show(); atomTypes->show();
} }
void MainWindow::createAgglFile()
{
AgglWindow *agglWindow;
agglWindow = new AgglWindow(this, ui->statgen_lineEdit_output->text());
agglWindow->show();
}

1
mathmech/mainwindow.h
View File

@ -75,6 +75,7 @@ private slots:
void on_tabWidget_currentChanged(int index); void on_tabWidget_currentChanged(int index);
// window signals // window signals
void createAtomTypes(); void createAtomTypes();
void createAgglFile();
private: private:
Ui::MainWindow *ui; Ui::MainWindow *ui;

BIN
mathmech/mathmech
View File

Binary file not shown.

9
mathmech/mathmech.pro
View File

@ -13,13 +13,16 @@ HEADERS += mainwindow.h \
clear_items.h \ clear_items.h \
start_events.h \ start_events.h \
update_fields.h \ update_fields.h \
atomtypeswindow.h atomtypeswindow.h \
agglwindow.h
FORMS += mainwindow.ui \ FORMS += mainwindow.ui \
errorwindow.ui \ errorwindow.ui \
atomtypeswindow.ui atomtypeswindow.ui \
agglwindow.ui
SOURCES += main.cpp mainwindow.cpp \ SOURCES += main.cpp mainwindow.cpp \
errorwindow.cpp \ errorwindow.cpp \
clear_items.cpp \ clear_items.cpp \
start_events.cpp \ start_events.cpp \
update_fields.cpp \ update_fields.cpp \
atomtypeswindow.cpp atomtypeswindow.cpp \
agglwindow.cpp

2
mathmech/mathmech.pro.user
View File

@ -1,6 +1,6 @@
<?xml version="1.0" encoding="UTF-8"?> <?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE QtCreatorProject> <!DOCTYPE QtCreatorProject>
<!-- Written by QtCreator 2.8.0, 2013-08-08T18:10:35. --> <!-- Written by QtCreator 2.8.0, 2013-08-09T18:20:07. -->
<qtcreator> <qtcreator>
<data> <data>
<variable>ProjectExplorer.Project.ActiveTarget</variable> <variable>ProjectExplorer.Project.ActiveTarget</variable>

110
mathmech/moc_agglwindow.cpp Normal file
View File

@ -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

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
View File

@ -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
View File

@ -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

235
mathmech/moc_mainwindow.cpp Normal file
View File

@ -0,0 +1,235 @@
/****************************************************************************
** 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
49, 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,
322, 316, 11, 11, 0x08,
369, 12, 11, 11, 0x08,
408, 12, 11, 11, 0x08,
447, 316, 11, 11, 0x08,
493, 12, 11, 11, 0x08,
531, 11, 11, 11, 0x08,
567, 11, 11, 11, 0x08,
601, 11, 11, 11, 0x08,
635, 11, 11, 11, 0x08,
667, 11, 11, 11, 0x08,
707, 11, 11, 11, 0x08,
746, 11, 11, 11, 0x08,
782, 11, 11, 11, 0x08,
820, 11, 11, 11, 0x08,
856, 11, 11, 11, 0x08,
893, 11, 11, 11, 0x08,
927, 11, 11, 11, 0x08,
964, 11, 11, 11, 0x08,
1000, 11, 11, 11, 0x08,
1033, 11, 11, 11, 0x08,
1069, 11, 11, 11, 0x08,
1103, 11, 11, 11, 0x08,
1135, 11, 11, 11, 0x08,
1170, 11, 11, 11, 0x08,
1202, 11, 11, 11, 0x08,
1236, 11, 11, 11, 0x08,
1274, 11, 11, 11, 0x08,
1310, 11, 11, 11, 0x08,
1345, 11, 11, 11, 0x08,
1379, 316, 11, 11, 0x08,
1428, 11, 11, 11, 0x08,
1467, 11, 11, 11, 0x08,
1514, 11, 11, 11, 0x08,
1553, 11, 11, 11, 0x08,
1591, 11, 11, 11, 0x08,
1625, 11, 11, 11, 0x08,
1663, 11, 11, 11, 0x08,
1699, 11, 11, 11, 0x08,
1734, 11, 11, 11, 0x08,
1768, 316, 11, 11, 0x08,
1801, 11, 11, 11, 0x08,
1819, 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_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_log_clicked()\0"
"on_statgen_pushButton_workDir_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_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"
};
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_envir_checkBox_log_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 7: _t->on_radf_comboBox_atom_currentIndexChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 8: _t->on_radf_checkBox_ang_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 9: _t->on_radf_checkBox_log_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 10: _t->on_pdb_comboBox_mode_currentIndexChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 11: _t->on_pdb_checkBox_log_stateChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 12: _t->on_trj_pushButton_workDir_clicked(); break;
case 13: _t->on_trj_pushButton_input_clicked(); break;
case 14: _t->on_trj_pushButton_atoms_clicked(); break;
case 15: _t->on_trj_pushButton_log_clicked(); break;
case 16: _t->on_statgen_pushButton_workDir_clicked(); break;
case 17: _t->on_statgen_pushButton_output_clicked(); break;
case 18: _t->on_statgen_pushButton_log_clicked(); break;
case 19: _t->on_envir_pushButton_workDir_clicked(); break;
case 20: _t->on_envir_pushButton_input_clicked(); break;
case 21: _t->on_envir_pushButton_output_clicked(); break;
case 22: _t->on_envir_pushButton_log_clicked(); break;
case 23: _t->on_radf_pushButton_workDir_clicked(); break;
case 24: _t->on_radf_pushButton_output_clicked(); break;
case 25: _t->on_radf_pushButton_log_clicked(); break;
case 26: _t->on_pdb_pushButton_workDir_clicked(); break;
case 27: _t->on_pdb_pushButton_input_clicked(); break;
case 28: _t->on_pdb_pushButton_agl_clicked(); break;
case 29: _t->on_pdb_pushButton_output_clicked(); break;
case 30: _t->on_pdb_pushButton_log_clicked(); break;
case 31: _t->on_trj_pushButton_clear_clicked(); break;
case 32: _t->on_statgen_pushButton_clear_clicked(); break;
case 33: _t->on_envir_pushButton_clear_clicked(); break;
case 34: _t->on_radf_pushButton_clear_clicked(); break;
case 35: _t->on_pdb_pushButton_clear_clicked(); break;
case 36: _t->on_statgen_comboBox_int_currentIndexChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 37: _t->on_stagen_pushButton_intSave_clicked(); break;
case 38: _t->on_statgen_doubleSpinBox_int_editingFinished(); break;
case 39: _t->on_statgen_pushButton_intAdd_clicked(); break;
case 40: _t->on_stagen_pushButton_intRem_clicked(); break;
case 41: _t->on_trj_pushButton_start_clicked(); break;
case 42: _t->on_statgen_pushButton_start_clicked(); break;
case 43: _t->on_envir_pushButton_start_clicked(); break;
case 44: _t->on_radf_pushButton_start_clicked(); break;
case 45: _t->on_pdb_pushButton_start_clicked(); break;
case 46: _t->on_tabWidget_currentChanged((*reinterpret_cast< int(*)>(_a[1]))); break;
case 47: _t->createAtomTypes(); break;
case 48: _t->createAgglFile(); 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 < 49)
qt_static_metacall(this, _c, _id, _a);
_id -= 49;
}
return _id;
}
QT_END_MOC_NAMESPACE

80
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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

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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

217
mathmech/ui_agglwindow.h Normal file
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/********************************************************************************
** 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

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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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