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Code Issues Projects Releases Wiki Activity

Added configuration interface

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arcan1s
2013-08-09 23:25:18 +04:00
parent abf7bce7df
commit 1c238fcc81
28 changed files with 987 additions and 3760 deletions
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78
mathmech/Makefile
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@ -1,6 +1,6 @@
#############################################################################
# Makefile for building: mathmech
# Generated by qmake (2.01a) (Qt 4.8.5) on: ?? ??? 8 19:45:57 2013
# Generated by qmake (2.01a) (Qt 4.8.5) on: ?? ??? 9 20:52:33 2013
# Project: mathmech.pro
# Template: app
# Command: /usr/lib/qt4/bin/qmake -o Makefile mathmech.pro
@ -50,13 +50,19 @@ SOURCES = main.cpp \
start_events.cpp \
update_fields.cpp \
atomtypeswindow.cpp \
agglwindow.cpp moc_mainwindow.cpp \
agglwindow.cpp \
aboutwindow.cpp \
statgengraphwindow.cpp \
settingswindow.cpp 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_agglwindow.cpp \
moc_aboutwindow.cpp \
moc_statgengraphwindow.cpp \
moc_settingswindow.cpp
OBJECTS = main.o \
mainwindow.o \
errorwindow.o \
@ -65,13 +71,19 @@ OBJECTS = main.o \
update_fields.o \
atomtypeswindow.o \
agglwindow.o \
aboutwindow.o \
statgengraphwindow.o \
settingswindow.o \
moc_mainwindow.o \
moc_errorwindow.o \
moc_clear_items.o \
moc_start_events.o \
moc_update_fields.o \
moc_atomtypeswindow.o \
moc_agglwindow.o
moc_agglwindow.o \
moc_aboutwindow.o \
moc_statgengraphwindow.o \
moc_settingswindow.o
DIST = /usr/share/qt4/mkspecs/common/unix.conf \
/usr/share/qt4/mkspecs/common/linux.conf \
/usr/share/qt4/mkspecs/common/gcc-base.conf \
@ -127,7 +139,7 @@ first: all
all: Makefile $(TARGET)
$(TARGET): ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h ui_agglwindow.h $(OBJECTS)
$(TARGET): ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h ui_agglwindow.h ui_aboutwindow.h ui_statgengraphwindow.h ui_settingswindow.h $(OBJECTS)
$(LINK) $(LFLAGS) -o $(TARGET) $(OBJECTS) $(OBJCOMP) $(LIBS)
Makefile: mathmech.pro /usr/share/qt4/mkspecs/linux-g++/qmake.conf /usr/share/qt4/mkspecs/common/unix.conf \
@ -192,7 +204,7 @@ qmake: FORCE
dist:
@$(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 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
$(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 aboutwindow.h statgengraphwindow.h settingswindow.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 aboutwindow.cpp statgengraphwindow.cpp settingswindow.cpp .tmp/mathmech1.0.0/ && $(COPY_FILE) --parents mainwindow.ui errorwindow.ui atomtypeswindow.ui agglwindow.ui aboutwindow.ui statgengraphwindow.ui settingswindow.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 . && $(DEL_FILE) -r .tmp/mathmech1.0.0
clean:compiler_clean
@ -213,9 +225,9 @@ mocclean: compiler_moc_header_clean compiler_moc_source_clean
mocables: compiler_moc_header_make_all compiler_moc_source_make_all
compiler_moc_header_make_all: moc_mainwindow.cpp moc_errorwindow.cpp moc_clear_items.cpp moc_start_events.cpp moc_update_fields.cpp moc_atomtypeswindow.cpp moc_agglwindow.cpp
compiler_moc_header_make_all: moc_mainwindow.cpp moc_errorwindow.cpp moc_clear_items.cpp moc_start_events.cpp moc_update_fields.cpp moc_atomtypeswindow.cpp moc_agglwindow.cpp moc_aboutwindow.cpp moc_statgengraphwindow.cpp moc_settingswindow.cpp
compiler_moc_header_clean:
-$(DEL_FILE) moc_mainwindow.cpp moc_errorwindow.cpp moc_clear_items.cpp moc_start_events.cpp moc_update_fields.cpp moc_atomtypeswindow.cpp moc_agglwindow.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_aboutwindow.cpp moc_statgengraphwindow.cpp moc_settingswindow.cpp
moc_mainwindow.cpp: mainwindow.h
/usr/lib/qt4/bin/moc $(DEFINES) $(INCPATH) mainwindow.h -o moc_mainwindow.cpp
@ -237,6 +249,15 @@ moc_atomtypeswindow.cpp: atomtypeswindow.h
moc_agglwindow.cpp: agglwindow.h
/usr/lib/qt4/bin/moc $(DEFINES) $(INCPATH) agglwindow.h -o moc_agglwindow.cpp
moc_aboutwindow.cpp: aboutwindow.h
/usr/lib/qt4/bin/moc $(DEFINES) $(INCPATH) aboutwindow.h -o moc_aboutwindow.cpp
moc_statgengraphwindow.cpp: statgengraphwindow.h
/usr/lib/qt4/bin/moc $(DEFINES) $(INCPATH) statgengraphwindow.h -o moc_statgengraphwindow.cpp
moc_settingswindow.cpp: settingswindow.h
/usr/lib/qt4/bin/moc $(DEFINES) $(INCPATH) settingswindow.h -o moc_settingswindow.cpp
compiler_rcc_make_all:
compiler_rcc_clean:
compiler_image_collection_make_all: qmake_image_collection.cpp
@ -244,9 +265,9 @@ compiler_image_collection_clean:
-$(DEL_FILE) qmake_image_collection.cpp
compiler_moc_source_make_all:
compiler_moc_source_clean:
compiler_uic_make_all: ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h ui_agglwindow.h
compiler_uic_make_all: ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h ui_agglwindow.h ui_aboutwindow.h ui_statgengraphwindow.h ui_settingswindow.h
compiler_uic_clean:
-$(DEL_FILE) ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h ui_agglwindow.h
-$(DEL_FILE) ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h ui_agglwindow.h ui_aboutwindow.h ui_statgengraphwindow.h ui_settingswindow.h
ui_mainwindow.h: mainwindow.ui
/usr/lib/qt4/bin/uic mainwindow.ui -o ui_mainwindow.h
@ -259,6 +280,15 @@ ui_atomtypeswindow.h: atomtypeswindow.ui
ui_agglwindow.h: agglwindow.ui
/usr/lib/qt4/bin/uic agglwindow.ui -o ui_agglwindow.h
ui_aboutwindow.h: aboutwindow.ui
/usr/lib/qt4/bin/uic aboutwindow.ui -o ui_aboutwindow.h
ui_statgengraphwindow.h: statgengraphwindow.ui
/usr/lib/qt4/bin/uic statgengraphwindow.ui -o ui_statgengraphwindow.h
ui_settingswindow.h: settingswindow.ui
/usr/lib/qt4/bin/uic settingswindow.ui -o ui_settingswindow.h
compiler_yacc_decl_make_all:
compiler_yacc_decl_clean:
compiler_yacc_impl_make_all:
@ -274,7 +304,10 @@ main.o: main.cpp mainwindow.h
mainwindow.o: mainwindow.cpp mainwindow.h \
ui_mainwindow.h \
aboutwindow.h \
agglwindow.h \
atomtypeswindow.h \
settingswindow.h \
clear_items.h \
start_events.h \
update_fields.h
@ -308,9 +341,23 @@ atomtypeswindow.o: atomtypeswindow.cpp atomtypeswindow.h \
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o atomtypeswindow.o atomtypeswindow.cpp
agglwindow.o: agglwindow.cpp agglwindow.h \
ui_agglwindow.h
ui_agglwindow.h \
errorwindow.h \
ui_errorwindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o agglwindow.o agglwindow.cpp
aboutwindow.o: aboutwindow.cpp aboutwindow.h \
ui_aboutwindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o aboutwindow.o aboutwindow.cpp
statgengraphwindow.o: statgengraphwindow.cpp statgengraphwindow.h \
ui_statgengraphwindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o statgengraphwindow.o statgengraphwindow.cpp
settingswindow.o: settingswindow.cpp settingswindow.h \
ui_settingswindow.h
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o settingswindow.o settingswindow.cpp
moc_mainwindow.o: moc_mainwindow.cpp
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o moc_mainwindow.o moc_mainwindow.cpp
@ -332,6 +379,15 @@ moc_atomtypeswindow.o: moc_atomtypeswindow.cpp
moc_agglwindow.o: moc_agglwindow.cpp
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o moc_agglwindow.o moc_agglwindow.cpp
moc_aboutwindow.o: moc_aboutwindow.cpp
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o moc_aboutwindow.o moc_aboutwindow.cpp
moc_statgengraphwindow.o: moc_statgengraphwindow.cpp
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o moc_statgengraphwindow.o moc_statgengraphwindow.cpp
moc_settingswindow.o: moc_settingswindow.cpp
$(CXX) -c $(CXXFLAGS) $(INCPATH) -o moc_settingswindow.o moc_settingswindow.cpp
####### Install
install: FORCE

14
mathmech/aboutwindow.cpp Normal file
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@ -0,0 +1,14 @@
#include "aboutwindow.h"
#include "ui_aboutwindow.h"
AboutWindow::AboutWindow(QWidget *parent) :
QMainWindow(parent),
ui(new Ui::AboutWindow)
{
ui->setupUi(this);
}
AboutWindow::~AboutWindow()
{
delete ui;
}

22
mathmech/aboutwindow.h Normal file
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@ -0,0 +1,22 @@
#ifndef ABOUTWINDOW_H
#define ABOUTWINDOW_H
#include <QMainWindow>
namespace Ui {
class AboutWindow;
}
class AboutWindow : public QMainWindow
{
Q_OBJECT
public:
explicit AboutWindow(QWidget *parent = 0);
~AboutWindow();
private:
Ui::AboutWindow *ui;
};
#endif /* ABOUTWINDOW_H */

96
mathmech/aboutwindow.ui Normal file
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@ -0,0 +1,96 @@
<?xml version="1.0" encoding="UTF-8"?>
<ui version="4.0">
<class>AboutWindow</class>
<widget class="QMainWindow" name="AboutWindow">
<property name="geometry">
<rect>
<x>0</x>
<y>0</y>
<width>383</width>
<height>320</height>
</rect>
</property>
<property name="windowTitle">
<string>About</string>
</property>
<widget class="QWidget" name="centralwidget">
<layout class="QVBoxLayout" name="verticalLayout">
<item>
<widget class="QTextBrowser" name="textBrowser">
<property name="html">
<string>&lt;!DOCTYPE HTML PUBLIC &quot;-//W3C//DTD HTML 4.0//EN&quot; &quot;http://www.w3.org/TR/REC-html40/strict.dtd&quot;&gt;
&lt;html&gt;&lt;head&gt;&lt;meta name=&quot;qrichtext&quot; content=&quot;1&quot; /&gt;&lt;style type=&quot;text/css&quot;&gt;
p, li { white-space: pre-wrap; }
&lt;/style&gt;&lt;/head&gt;&lt;body style=&quot; font-family:'Liberation Serif'; font-size:10pt; font-weight:400; font-style:normal;&quot;&gt;
&lt;p align=&quot;center&quot; style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Mathematical Molecular Mechanics&lt;/span&gt;&lt;/p&gt;
&lt;p style=&quot;-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;br /&gt;&lt;/p&gt;
&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Version:&lt;/span&gt; 1.0.0&lt;/p&gt;
&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;License:&lt;/span&gt; GPL&lt;/p&gt;
&lt;p style=&quot;-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;br /&gt;&lt;/p&gt;
&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;Author:&lt;/span&gt; Evgeniy Alekseev&lt;/p&gt;
&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;span style=&quot; font-weight:600;&quot;&gt;E-mail:&lt;/span&gt; esalexeev@gmail.com&lt;/p&gt;
&lt;p style=&quot;-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;br /&gt;&lt;/p&gt;
&lt;p align=&quot;justify&quot; style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;Graphical user interface for &amp;quot;mathmech&amp;quot; program pack.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
</property>
</widget>
</item>
<item>
<layout class="QHBoxLayout" name="about_layout_buttons">
<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="about_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>textBrowser</tabstop>
<tabstop>about_pushButton_close</tabstop>
</tabstops>
<resources/>
<connections>
<connection>
<sender>about_pushButton_close</sender>
<signal>clicked()</signal>
<receiver>AboutWindow</receiver>
<slot>close()</slot>
<hints>
<hint type="sourcelabel">
<x>358</x>
<y>303</y>
</hint>
<hint type="destinationlabel">
<x>358</x>
<y>314</y>
</hint>
</hints>
</connection>
</connections>
</ui>

2
mathmech/agglwindow.h
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@ -38,4 +38,4 @@ private:
void keyPressEvent(QKeyEvent *pressedKey);
};
#endif // AGGLWINDOW_H
#endif /* AGGLWINDOW_H */

31
mathmech/mainwindow.cpp
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@ -3,8 +3,10 @@
#include "mainwindow.h"
#include "ui_mainwindow.h"
#include "aboutwindow.h"
#include "agglwindow.h"
#include "atomtypeswindow.h"
#include "settingswindow.h"
#include "clear_items.h"
#include "start_events.h"
#include "update_fields.h"
@ -23,14 +25,9 @@ MainWindow::MainWindow(QWidget *parent) :
createActions();
// TODO: read config
// language = QString("eng");
mm_agl_path = QString("/home/arcanis/Documents/github/moldyn/mathmech/bin/mm_agl");
mm_envir_path = QString("/home/arcanis/Documents/github/moldyn/mathmech/bin/mm_envir");
mm_radf_path = QString("/home/arcanis/Documents/github/moldyn/mathmech/bin/mm_radf");
mm_statgen_path = QString("/home/arcanis/Documents/github/moldyn/mathmech/bin/mm_statgen");
mm_trj_path = QString("/home/arcanis/Documents/github/moldyn/mathmech/bin/mm_trj");
mm_trj2pdb_path = QString("/home/arcanis/Documents/github/moldyn/mathmech/bin/mm_trj2pdb");
SettingsWindow *settingsWindow;
settingsWindow = new SettingsWindow(this);
delete settingsWindow;
}
MainWindow::~MainWindow()
@ -394,7 +391,7 @@ void MainWindow::on_pdb_pushButton_agl_clicked()
this,
tr("Select agglomerate file"),
QDir(ui->pdb_lineEdit_workDir->text()).absolutePath(),
tr("Agglomerate files (*.agl]);;All files (*.*)"));
tr("Agglomerate files (*.agl);;All files (*.*)"));
if (!filename.isEmpty())
ui->pdb_lineEdit_agl->setText(filename);
}
@ -585,6 +582,8 @@ void MainWindow::createActions()
{
connect(ui->actionAtom_types_file, SIGNAL(triggered()), this, SLOT(createAtomTypes()));
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()));
}
void MainWindow::createAtomTypes()
@ -600,3 +599,17 @@ void MainWindow::createAgglFile()
agglWindow = new AgglWindow(this, ui->statgen_lineEdit_output->text());
agglWindow->show();
}
void MainWindow::aboutWin()
{
AboutWindow *aboutWindow;
aboutWindow = new AboutWindow(this);
aboutWindow->show();
}
void MainWindow::settingsWinShow()
{
SettingsWindow *settingsWindow;
settingsWindow = new SettingsWindow(this);
settingsWindow->show();
}

16
mathmech/mainwindow.h
View File

@ -4,6 +4,7 @@
#include <QMainWindow>
class Clear_items;
class SettingsWindow;
class Start_events;
class Update_fields;
@ -18,6 +19,13 @@ class MainWindow : public QMainWindow
public:
explicit MainWindow(QWidget *parent = 0);
~MainWindow();
QString language;
QString mm_agl_path;
QString mm_envir_path;
QString mm_radf_path;
QString mm_statgen_path;
QString mm_trj_path;
QString mm_trj2pdb_path;
private slots:
// enable/disable signals
@ -76,17 +84,13 @@ private slots:
// window signals
void createAtomTypes();
void createAgglFile();
void aboutWin();
void settingsWinShow();
private:
Ui::MainWindow *ui;
void update_interaction();
float *statgen_crit;
QString mm_agl_path;
QString mm_envir_path;
QString mm_radf_path;
QString mm_statgen_path;
QString mm_trj_path;
QString mm_trj2pdb_path;
Clear_items *clear_items;
friend class Clear_items;

7
mathmech/mainwindow.ui
View File

@ -3280,13 +3280,13 @@
<addaction name="actionAgglomerate_file"/>
</widget>
<addaction name="menuFile_creator"/>
<addaction name="actionSettings"/>
<addaction name="actionExit"/>
</widget>
<widget class="QMenu" name="menuHelp">
<property name="title">
<string>Help</string>
</property>
<addaction name="actionHelp"/>
<addaction name="actionAbout"/>
</widget>
<addaction name="menuMenu"/>
@ -3335,6 +3335,11 @@
<string>&amp;Agglomerate file</string>
</property>
</action>
<action name="actionSettings">
<property name="text">
<string>Settings</string>
</property>
</action>
</widget>
<layoutdefault spacing="6" margin="11"/>
<tabstops>

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mathmech/mathmech
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15
mathmech/mathmech.pro
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@ -14,15 +14,24 @@ HEADERS += mainwindow.h \
start_events.h \
update_fields.h \
atomtypeswindow.h \
agglwindow.h
agglwindow.h \
aboutwindow.h \
statgengraphwindow.h \
settingswindow.h
FORMS += mainwindow.ui \
errorwindow.ui \
atomtypeswindow.ui \
agglwindow.ui
agglwindow.ui \
aboutwindow.ui \
statgengraphwindow.ui \
settingswindow.ui
SOURCES += main.cpp mainwindow.cpp \
errorwindow.cpp \
clear_items.cpp \
start_events.cpp \
update_fields.cpp \
atomtypeswindow.cpp \
agglwindow.cpp
agglwindow.cpp \
aboutwindow.cpp \
statgengraphwindow.cpp \
settingswindow.cpp

110
mathmech/moc_agglwindow.cpp
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@ -1,110 +0,0 @@
/****************************************************************************
** 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
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@ -1,111 +0,0 @@
/****************************************************************************
** 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
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@ -1,80 +0,0 @@
/****************************************************************************
** 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
View File

@ -1,80 +0,0 @@
/****************************************************************************
** 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
View File

@ -1,235 +0,0 @@
/****************************************************************************
** 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
mathmech/moc_start_events.cpp
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@ -1,80 +0,0 @@
/****************************************************************************
** 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

80
mathmech/moc_update_fields.cpp
View File

@ -1,80 +0,0 @@
/****************************************************************************
** 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

246
mathmech/settingswindow.cpp Normal file
View File

@ -0,0 +1,246 @@
#include <QDir>
#include <QKeyEvent>
#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"
SettingsWindow::SettingsWindow(MainWindow *parent) :
QMainWindow(parent),
ui(new Ui::SettingsWindow)
{
ui->setupUi(this);
_parent = parent;
#ifdef _WIN32
configpath = QFileInfo(QDir::currentPath(), ("mathmech.ini")).absoluteFilePath();
#elif __linux
configpath = QFileInfo(QDir(QDir::homePath() + "/.config"), ("mathmech.conf")).absoluteFilePath();
#else
return;
#endif
if (QFileInfo(configpath).exists())
readSettings();
else
{
setDefaults();
applySettings();
}
showSettings();
}
SettingsWindow::~SettingsWindow()
{
delete ui;
}
// ESC press event
void SettingsWindow::keyPressEvent(QKeyEvent *pressedKey)
{
if (pressedKey->key() == Qt::Key_Escape)
close();
}
void SettingsWindow::applySettings()
{
errorwin = new ErrorWindow(this);
QString mm_trj_path = ui->settings_lineEdit_trj->text();
QString mm_statgen_path = ui->settings_lineEdit_statgen->text();
QString mm_envir_path = ui->settings_lineEdit_envir->text();
QString mm_agl_path = ui->settings_lineEdit_agl->text();
QString mm_radf_path = ui->settings_lineEdit_radf->text();
QString mm_trj2pdb_path = ui->settings_lineEdit_trj2pdb->text();
if ((!QFile(mm_trj_path).exists()) || (mm_trj_path == "") ||
(!QFile(mm_statgen_path).exists()) || (mm_statgen_path == "") ||
(!QFile(mm_envir_path).exists()) || (mm_envir_path == "") ||
(!QFile(mm_agl_path).exists()) || (mm_agl_path == "") ||
(!QFile(mm_radf_path).exists()) || (mm_radf_path == "") ||
(!QFile(mm_trj2pdb_path).exists()) || (mm_trj2pdb_path == ""))
{
errorwin->set_message(7);
errorwin->show();
return;
}
if (ui->settings_comboBox_lang->currentIndex() == 0)
_parent->language = QString("eng");
else if (ui->settings_comboBox_lang->currentIndex() == 1)
_parent->language = QString("rus");
_parent->mm_trj_path = mm_trj_path;
_parent->mm_statgen_path = mm_statgen_path;
_parent->mm_envir_path = mm_envir_path;
_parent->mm_radf_path = mm_radf_path;
_parent->mm_trj2pdb_path = mm_trj2pdb_path;
_parent->mm_agl_path = mm_agl_path;
delete errorwin;
printSettings();
}
void SettingsWindow::printSettings()
{
errorwin = new ErrorWindow(this);
QFile conf_file(configpath);
if (!conf_file.open(QIODevice::WriteOnly | QIODevice::Text))
{
errorwin->set_message(9);
errorwin->show();
return;
}
QTextStream out(&conf_file);
out << "LANG=" << _parent->language << "\n";
out << "MM_TRJ_PATH=" << _parent->mm_trj_path << "\n";
out << "MM_STATGEN_PATH=" << _parent->mm_statgen_path << "\n";
out << "MM_ENVIR_PATH=" << _parent->mm_envir_path << "\n";
out << "MM_RADF_PATH=" << _parent->mm_radf_path << "\n";
out << "MM_TRJ2PDB_PATH=" << _parent->mm_trj2pdb_path << "\n";
out << "MM_AGL_PATH=" << _parent->mm_agl_path << "\n";
conf_file.close();
delete errorwin;
}
void SettingsWindow::setDefaults()
{
QString suffix = "";
#ifdef _WIN32
suffix = QString(".exe");
#endif
_parent->language = QString("eng");
_parent->mm_trj_path = QDir::currentPath() + QDir::separator() + "mm_trj" + suffix;
_parent->mm_statgen_path = QDir::currentPath() + QDir::separator() + "mm_statgen" + suffix;
_parent->mm_envir_path = QDir::currentPath() + QDir::separator() + "mm_envir" + suffix;
_parent->mm_radf_path = QDir::currentPath() + QDir::separator() + "mm_radf" + suffix;
_parent->mm_trj2pdb_path = QDir::currentPath() + QDir::separator() + "mm_trj2pdb" + suffix;
_parent->mm_agl_path = QDir::currentPath() + QDir::separator() + "mm_agl" + suffix;
}
void SettingsWindow::readSettings()
{
errorwin = new ErrorWindow(this);
QFile conf_file(configpath);
if (!conf_file.open(QIODevice::ReadOnly | QIODevice::Text))
{
errorwin->set_message(9);
errorwin->show();
return;
}
QTextStream out(&conf_file);
QStringList text = out.readAll().split(QString("\n"), QString::SkipEmptyParts);
conf_file.close();
for (int i=0; i<text.count(); i++)
if (text[i].contains(QString("LANG=")))
_parent->language = text[i].split(QString("LANG="), QString::SkipEmptyParts)[0];
else if (text[i].contains(QString("MM_TRJ_PATH=")))
_parent->mm_trj_path = text[i].split(QString("MM_TRJ_PATH="), QString::SkipEmptyParts)[0];
else if (text[i].contains(QString("MM_STATGEN_PATH=")))
_parent->mm_statgen_path = text[i].split(QString("MM_STATGEN_PATH="), QString::SkipEmptyParts)[0];
else if (text[i].contains(QString("MM_ENVIR_PATH=")))
_parent->mm_envir_path = text[i].split(QString("MM_ENVIR_PATH="), QString::SkipEmptyParts)[0];
else if (text[i].contains(QString("MM_RADF_PATH=")))
_parent->mm_radf_path = text[i].split(QString("MM_RADF_PATH="), QString::SkipEmptyParts)[0];
else if (text[i].contains(QString("MM_TRJ2PDB_PATH=")))
_parent->mm_trj2pdb_path = text[i].split(QString("MM_TRJ2PDB_PATH="), QString::SkipEmptyParts)[0];
else if (text[i].contains(QString("MM_AGL_PATH=")))
_parent->mm_agl_path = text[i].split(QString("MM_AGL_PATH="), QString::SkipEmptyParts)[0];
delete errorwin;
}
void SettingsWindow::showSettings()
{
ui->settings_lineEdit_trj->setText(_parent->mm_trj_path);
ui->settings_lineEdit_statgen->setText(_parent->mm_statgen_path);
ui->settings_lineEdit_envir->setText(_parent->mm_envir_path);
ui->settings_lineEdit_radf->setText(_parent->mm_radf_path);
ui->settings_lineEdit_agl->setText(_parent->mm_agl_path);
ui->settings_lineEdit_trj2pdb->setText(_parent->mm_trj2pdb_path);
if (_parent->language == QString("eng"))
ui->settings_comboBox_lang->setCurrentIndex(0);
else if (_parent->language == QString("rus"))
ui->settings_comboBox_lang->setCurrentIndex(1);
}
void SettingsWindow::on_settings_pushButton_save_clicked()
{
applySettings();
close();
}
// browse signals
void SettingsWindow::on_settings_pushButton_trj_clicked()
{
QString filename = QFileDialog::getOpenFileName(
this,
tr("Select component"),
QDir::currentPath(),
tr("All files (*)"));
if (!filename.isEmpty())
ui->settings_lineEdit_trj->setText(filename);
}
void SettingsWindow::on_settings_pushButton_statgen_clicked()
{
QString filename = QFileDialog::getOpenFileName(
this,
tr("Select component"),
QDir::currentPath(),
tr("All files (*)"));
if (!filename.isEmpty())
ui->settings_lineEdit_statgen->setText(filename);
}
void SettingsWindow::on_settings_pushButton_envir_clicked()
{
QString filename = QFileDialog::getOpenFileName(
this,
tr("Select component"),
QDir::currentPath(),
tr("All files (*)"));
if (!filename.isEmpty())
ui->settings_lineEdit_envir->setText(filename);
}
void SettingsWindow::on_settings_pushButton_radf_clicked()
{
QString filename = QFileDialog::getOpenFileName(
this,
tr("Select component"),
QDir::currentPath(),
tr("All files (*)"));
if (!filename.isEmpty())
ui->settings_lineEdit_radf->setText(filename);
}
void SettingsWindow::on_settings_pushButton_trj2pdb_clicked()
{
QString filename = QFileDialog::getOpenFileName(
this,
tr("Select component"),
QDir::currentPath(),
tr("All files (*)"));
if (!filename.isEmpty())
ui->settings_lineEdit_trj2pdb->setText(filename);
}
void SettingsWindow::on_settings_pushButton_agl_clicked()
{
QString filename = QFileDialog::getOpenFileName(
this,
tr("Select component"),
QDir::currentPath(),
tr("All files (*)"));
if (!filename.isEmpty())
ui->settings_lineEdit_agl->setText(filename);
}

45
mathmech/settingswindow.h Normal file
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@ -0,0 +1,45 @@
#ifndef SETTINGSWINDOW_H
#define SETTINGSWINDOW_H
#include <QMainWindow>
class MainWindow;
class ErrorWindow;
namespace Ui {
class SettingsWindow;
}
class SettingsWindow : public QMainWindow
{
Q_OBJECT
public:
explicit SettingsWindow(MainWindow *parent = 0);
~SettingsWindow();
void applySettings();
void printSettings();
void readSettings();
void setDefaults();
void showSettings();
private slots:
void on_settings_pushButton_save_clicked();
void on_settings_pushButton_trj_clicked();
void on_settings_pushButton_statgen_clicked();
void on_settings_pushButton_envir_clicked();
void on_settings_pushButton_radf_clicked();
void on_settings_pushButton_trj2pdb_clicked();
void on_settings_pushButton_agl_clicked();
private:
Ui::SettingsWindow *ui;
QString configpath;
MainWindow *_parent;
ErrorWindow *errorwin;
// ESC pressed event
void keyPressEvent(QKeyEvent *pressedKey);
};
#endif /* SETTINGSWINDOW_H */

374
mathmech/settingswindow.ui Normal file
View File

@ -0,0 +1,374 @@
<?xml version="1.0" encoding="UTF-8"?>
<ui version="4.0">
<class>SettingsWindow</class>
<widget class="QMainWindow" name="SettingsWindow">
<property name="geometry">
<rect>
<x>0</x>
<y>0</y>
<width>392</width>
<height>320</height>
</rect>
</property>
<property name="windowTitle">
<string>Settings</string>
</property>
<widget class="QWidget" name="centralwidget">
<layout class="QVBoxLayout" name="verticalLayout">
<item>
<layout class="QHBoxLayout" name="settings_layout_trj">
<item>
<widget class="QLabel" name="settings_label_trj">
<property name="minimumSize">
<size>
<width>110</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>mm_trj</string>
</property>
</widget>
</item>
<item>
<widget class="QLineEdit" name="settings_lineEdit_trj"/>
</item>
<item>
<widget class="QPushButton" name="settings_pushButton_trj">
<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="settings_layout_statgen">
<item>
<widget class="QLabel" name="settings_label_statgen">
<property name="minimumSize">
<size>
<width>110</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>mm_statgen</string>
</property>
</widget>
</item>
<item>
<widget class="QLineEdit" name="settings_lineEdit_statgen"/>
</item>
<item>
<widget class="QPushButton" name="settings_pushButton_statgen">
<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="settings_layout_envir">
<item>
<widget class="QLabel" name="settings_label_envir">
<property name="minimumSize">
<size>
<width>110</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>mm_envir</string>
</property>
</widget>
</item>
<item>
<widget class="QLineEdit" name="settings_lineEdit_envir"/>
</item>
<item>
<widget class="QPushButton" name="settings_pushButton_envir">
<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="settings_layout_radf">
<item>
<widget class="QLabel" name="settings_label_radf">
<property name="minimumSize">
<size>
<width>110</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>mm_radf</string>
</property>
</widget>
</item>
<item>
<widget class="QLineEdit" name="settings_lineEdit_radf"/>
</item>
<item>
<widget class="QPushButton" name="settings_pushButton_radf">
<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="settings_layout_trj2pdb">
<item>
<widget class="QLabel" name="settings_label_trj2pdb">
<property name="minimumSize">
<size>
<width>110</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>mm_trj2pdb</string>
</property>
</widget>
</item>
<item>
<widget class="QLineEdit" name="settings_lineEdit_trj2pdb"/>
</item>
<item>
<widget class="QPushButton" name="settings_pushButton_trj2pdb">
<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="settings_layout_agl">
<item>
<widget class="QLabel" name="settings_label_agl">
<property name="minimumSize">
<size>
<width>110</width>
<height>0</height>
</size>
</property>
<property name="text">
<string>mm_agl</string>
</property>
</widget>
</item>
<item>
<widget class="QLineEdit" name="settings_lineEdit_agl"/>
</item>
<item>
<widget class="QPushButton" name="settings_pushButton_agl">
<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="settings_layout_lang">
<item>
<widget class="QLabel" name="settings_label_lang">
<property name="minimumSize">
<size>
<width>110</width>
<height>23</height>
</size>
</property>
<property name="text">
<string notr="true">Language</string>
</property>
</widget>
</item>
<item>
<widget class="QComboBox" name="settings_comboBox_lang">
<property name="sizePolicy">
<sizepolicy hsizetype="Expanding" vsizetype="Fixed">
<horstretch>0</horstretch>
<verstretch>0</verstretch>
</sizepolicy>
</property>
<item>
<property name="text">
<string>English</string>
</property>
</item>
<item>
<property name="text">
<string>Russian</string>
</property>
</item>
</widget>
</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>51</height>
</size>
</property>
</spacer>
</item>
<item>
<layout class="QHBoxLayout" name="settings_layout_buttons">
<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="settings_pushButton_save">
<property name="minimumSize">
<size>
<width>80</width>
<height>23</height>
</size>
</property>
<property name="text">
<string>Save</string>
</property>
<property name="autoDefault">
<bool>true</bool>
</property>
</widget>
</item>
<item>
<widget class="QPushButton" name="settings_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>settings_lineEdit_trj</tabstop>
<tabstop>settings_pushButton_trj</tabstop>
<tabstop>settings_lineEdit_statgen</tabstop>
<tabstop>settings_pushButton_statgen</tabstop>
<tabstop>settings_lineEdit_envir</tabstop>
<tabstop>settings_pushButton_envir</tabstop>
<tabstop>settings_lineEdit_radf</tabstop>
<tabstop>settings_pushButton_radf</tabstop>
<tabstop>settings_lineEdit_trj2pdb</tabstop>
<tabstop>settings_pushButton_trj2pdb</tabstop>
<tabstop>settings_lineEdit_agl</tabstop>
<tabstop>settings_pushButton_agl</tabstop>
<tabstop>settings_comboBox_lang</tabstop>
<tabstop>pushButton_6</tabstop>
<tabstop>settings_pushButton_close</tabstop>
<tabstop>settings_pushButton_save</tabstop>
<tabstop>lineEdit_6</tabstop>
</tabstops>
<resources/>
<connections>
<connection>
<sender>settings_pushButton_close</sender>
<signal>clicked()</signal>
<receiver>SettingsWindow</receiver>
<slot>close()</slot>
<hints>
<hint type="sourcelabel">
<x>337</x>
<y>299</y>
</hint>
<hint type="destinationlabel">
<x>343</x>
<y>319</y>
</hint>
</hints>
</connection>
</connections>
</ui>

128
mathmech/start_events.cpp
View File

@ -82,25 +82,13 @@ void Start_events::start_trj(QString mm_trj_path)
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_trj_path);
#ifdef _WIN32
if (input.contains("\\"))
#elif __linux
if (input.contains("/"))
#else
return;
#endif
if (input.contains(QDir::separator()))
command.append(" -i " + QFileInfo(input).absoluteFilePath());
else
command.append(" -i " + QFileInfo(QDir(workDir), input).absoluteFilePath());
command.append(" -t " + type);
command.append(" -s " + steps);
#ifdef _WIN32
if (atomType.contains("\\"))
#elif __linux
if (atomType.contains("/"))
#else
return;
#endif
if (atomType.contains(QDir::separator()))
command.append(" -a " + QFileInfo(atomType).absoluteFilePath());
else
command.append(" -a " + QFileInfo(QDir(workDir), atomType).absoluteFilePath());
@ -108,13 +96,7 @@ void Start_events::start_trj(QString mm_trj_path)
command.append(" -tt " + totalTypes);
if (parent->ui->trj_checkBox_log->checkState() == 2)
{
#ifdef _WIN32
if (log.contains("\\"))
#elif __linux
if (log.contains("/"))
#else
return;
#endif
if (log.contains(QDir::separator()))
command.append(" -l " + QFileInfo(log).absoluteFilePath());
else
command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());
@ -203,13 +185,7 @@ void Start_events::start_statgen(QString mm_statgen_path)
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_statgen_path);
#ifdef _WIN32
if (mask.contains("\\"))
#elif __linux
if (mask.contains("/"))
#else
return;
#endif
if (mask.contains(QDir::separator()))
command.append(" -i " + QFileInfo(mask).absoluteFilePath());
else
command.append(" -i " + QFileInfo(QDir(workDir), mask).absoluteFilePath());
@ -223,13 +199,7 @@ void Start_events::start_statgen(QString mm_statgen_path)
if (parent->ui->statgen_checkBox_atoms3->checkState() == 2)
command.append("," + atom3);
command.append(inter);
#ifdef _WIN32
if (output.contains("\\"))
#elif __linux
if (output.contains("/"))
#else
return;
#endif
if (output.contains(QDir::separator()))
command.append(" -o " + QFileInfo(output).absoluteFilePath());
else
command.append(" -o " + QFileInfo(QDir(workDir), output).absoluteFilePath());
@ -237,13 +207,7 @@ void Start_events::start_statgen(QString mm_statgen_path)
command.append(" -g " + depth);
if (parent->ui->statgen_checkBox_log->checkState() == 2)
{
#ifdef _WIN32
if (log.contains("\\"))
#elif __linux
if (log.contains("/"))
#else
return;
#endif
if (log.contains(QDir::separator()))
command.append(" -l " + QFileInfo(log).absoluteFilePath());
else
command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());
@ -312,24 +276,12 @@ void Start_events::start_envir(QString mm_envir_path)
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_envir_path);
#ifdef _WIN32
if (input.contains("\\"))
#elif __linux
if (input.contains("/"))
#else
return;
#endif
if (input.contains(QDir::separator()))
command.append(" -i " + QFileInfo(input).absoluteFilePath());
else
command.append(" -i " + QFileInfo(QDir(workDir), input).absoluteFilePath());
command.append(" -c " + cellX + "," + cellY + "," + cellZ);
#ifdef _WIN32
if (output.contains("\\"))
#elif __linux
if (output.contains("/"))
#else
return;
#endif
if (output.contains(QDir::separator()))
command.append(" -o " + QFileInfo(output).absoluteFilePath());
else
command.append(" -o " + QFileInfo(QDir(workDir), output).absoluteFilePath());
@ -337,13 +289,7 @@ void Start_events::start_envir(QString mm_envir_path)
command.append(" -r " + radius);
if (parent->ui->statgen_checkBox_log->checkState() == 2)
{
#ifdef _WIN32
if (log.contains("\\"))
#elif __linux
if (log.contains("/"))
#else
return;
#endif
if (log.contains(QDir::separator()))
command.append(" -l " + QFileInfo(log).absoluteFilePath());
else
command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());
@ -440,13 +386,7 @@ void Start_events::start_radf(QString mm_radf_path)
parent->ui->tabWidget->setDisabled(true);
QString command;
command.append(mm_radf_path);
#ifdef _WIN32
if (mask.contains("\\"))
#elif __linux
if (mask.contains("/"))
#else
return;
#endif
if (mask.contains(QDir::separator()))
command.append(" -i " + QFileInfo(mask).absoluteFilePath());
else
command.append(" -i " + QFileInfo(QDir(workDir), mask).absoluteFilePath());
@ -457,13 +397,7 @@ void Start_events::start_radf(QString mm_radf_path)
else if (parent->ui->radf_comboBox_atom->currentIndex() == 1)
command.append(" -at " + atom0 + "," + atom1 + "," + atom2 +
"-" + atom3 + "," + atom4 + "," + atom5);
#ifdef _WIN32
if (output.contains("\\"))
#elif __linux
if (output.contains("/"))
#else
return;
#endif
if (output.contains(QDir::separator()))
command.append(" -o " + QFileInfo(output).absoluteFilePath());
else
command.append(" -o " + QFileInfo(QDir(workDir), output).absoluteFilePath());
@ -478,13 +412,7 @@ void Start_events::start_radf(QString mm_radf_path)
command.append(" -m ");
if (parent->ui->radf_checkBox_log->checkState() == 2)
{
#ifdef _WIN32
if (log.contains("\\"))
#elif __linux
if (log.contains("/"))
#else
return;
#endif
if (log.contains(QDir::separator()))
command.append(" -l " + QFileInfo(log).absoluteFilePath());
else
command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());
@ -571,48 +499,24 @@ void Start_events::start_pdb(QString mm_pdb_path)
command.append(mm_pdb_path);
if (parent->ui->pdb_comboBox_mode->currentIndex() == 0)
{
#ifdef _WIN32
if (agl.contains("\\"))
#elif __linux
if (agl.contains("/"))
#else
return;
#endif
if (agl.contains(QDir::separator()))
command.append(" -a " + QFileInfo(agl).absoluteFilePath());
else
command.append(" -a " + QFileInfo(QDir(workDir), agl).absoluteFilePath());
}
#ifdef _WIN32
if (input.contains("\\"))
#elif __linux
if (input.contains("/"))
#else
return;
#endif
if (input.contains(QDir::separator()))
command.append(" -i " + QFileInfo(input).absoluteFilePath());
else
command.append(" -i " + QFileInfo(QDir(workDir), input).absoluteFilePath());
if (parent->ui->pdb_comboBox_mode->currentIndex() == 0)
command.append(" -c " + cellX + "," + cellY + "," + cellZ);
#ifdef _WIN32
if (output.contains("\\"))
#elif __linux
if (output.contains("/"))
#else
return;
#endif
if (output.contains(QDir::separator()))
command.append(" -o " + QFileInfo(output).absoluteFilePath());
else
command.append(" -o " + QFileInfo(QDir(workDir), output).absoluteFilePath());
if (parent->ui->statgen_checkBox_log->checkState() == 2)
{
#ifdef _WIN32
if (log.contains("\\"))
#elif __linux
if (log.contains("/"))
#else
return;
#endif
if (log.contains(QDir::separator()))
command.append(" -l " + QFileInfo(log).absoluteFilePath());
else
command.append(" -l " + QFileInfo(QDir(workDir), log).absoluteFilePath());

14
mathmech/statgengraphwindow.cpp Normal file
View File

@ -0,0 +1,14 @@
#include "statgengraphwindow.h"
#include "ui_statgengraphwindow.h"
StatgenGraphWindow::StatgenGraphWindow(QWidget *parent) :
QMainWindow(parent),
ui(new Ui::StatgenGraphWindow)
{
ui->setupUi(this);
}
StatgenGraphWindow::~StatgenGraphWindow()
{
delete ui;
}

22
mathmech/statgengraphwindow.h Normal file
View File

@ -0,0 +1,22 @@
#ifndef STATGENGRAPHWINDOW_H
#define STATGENGRAPHWINDOW_H
#include <QMainWindow>
namespace Ui {
class StatgenGraphWindow;
}
class StatgenGraphWindow : public QMainWindow
{
Q_OBJECT
public:
explicit StatgenGraphWindow(QWidget *parent = 0);
~StatgenGraphWindow();
private:
Ui::StatgenGraphWindow *ui;
};
#endif /* STATGENGRAPHWINDOW_H */

20
mathmech/statgengraphwindow.ui Normal file
View File

@ -0,0 +1,20 @@
<?xml version="1.0" encoding="UTF-8"?>
<ui version="4.0">
<class>StatgenGraphWindow</class>
<widget class="QMainWindow" name="StatgenGraphWindow">
<property name="geometry">
<rect>
<x>0</x>
<y>0</y>
<width>240</width>
<height>320</height>
</rect>
</property>
<property name="windowTitle">
<string>Graph</string>
</property>
<widget class="QWidget" name="centralwidget"/>
</widget>
<resources/>
<connections/>
</ui>

217
mathmech/ui_agglwindow.h
View File

@ -1,217 +0,0 @@
/********************************************************************************
** 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

271
mathmech/ui_atomtypeswindow.h
View File

@ -1,271 +0,0 @@
/********************************************************************************
** 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

112
mathmech/ui_errorwindow.h
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@ -1,112 +0,0 @@
/********************************************************************************
** 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

2241
mathmech/ui_mainwindow.h
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