mirror of
https://github.com/arcan1s/moldyn.git
synced 2025-06-28 06:41:42 +00:00
Added atomtypewindow
This commit is contained in:
arcan1s
@ -1,6 +1,6 @@
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#############################################################################
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# Makefile for building: mathmech
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# Generated by qmake (2.01a) (Qt 4.8.5) on: ?? ??? 8 04:28:38 2013
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# Generated by qmake (2.01a) (Qt 4.8.5) on: ?? ??? 8 17:13:39 2013
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# Project: mathmech.pro
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# Template: app
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# Command: /usr/lib/qt4/bin/qmake -o Makefile mathmech.pro
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@ -48,22 +48,26 @@ SOURCES = main.cpp \
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errorwindow.cpp \
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clear_items.cpp \
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start_events.cpp \
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update_fields.cpp moc_mainwindow.cpp \
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update_fields.cpp \
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atomtypeswindow.cpp moc_mainwindow.cpp \
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moc_errorwindow.cpp \
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moc_clear_items.cpp \
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moc_start_events.cpp \
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moc_update_fields.cpp
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moc_update_fields.cpp \
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moc_atomtypeswindow.cpp
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OBJECTS = main.o \
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mainwindow.o \
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errorwindow.o \
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clear_items.o \
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start_events.o \
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update_fields.o \
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atomtypeswindow.o \
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moc_mainwindow.o \
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moc_errorwindow.o \
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moc_clear_items.o \
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moc_start_events.o \
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moc_update_fields.o
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moc_update_fields.o \
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moc_atomtypeswindow.o
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DIST = /usr/share/qt4/mkspecs/common/unix.conf \
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/usr/share/qt4/mkspecs/common/linux.conf \
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/usr/share/qt4/mkspecs/common/gcc-base.conf \
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@ -119,7 +123,7 @@ first: all
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all: Makefile $(TARGET)
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$(TARGET): ui_mainwindow.h ui_errorwindow.h $(OBJECTS)
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$(TARGET): ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h $(OBJECTS)
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$(LINK) $(LFLAGS) -o $(TARGET) $(OBJECTS) $(OBJCOMP) $(LIBS)
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Makefile: mathmech.pro /usr/share/qt4/mkspecs/linux-g++/qmake.conf /usr/share/qt4/mkspecs/common/unix.conf \
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@ -184,7 +188,7 @@ qmake: FORCE
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dist:
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@$(CHK_DIR_EXISTS) .tmp/mathmech1.0.0 || $(MKDIR) .tmp/mathmech1.0.0
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$(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 .tmp/mathmech1.0.0/ && $(COPY_FILE) --parents main.cpp mainwindow.cpp errorwindow.cpp clear_items.cpp start_events.cpp update_fields.cpp .tmp/mathmech1.0.0/ && $(COPY_FILE) --parents mainwindow.ui errorwindow.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 . && $(DEL_FILE) -r .tmp/mathmech1.0.0
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$(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 . && $(DEL_FILE) -r .tmp/mathmech1.0.0
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clean:compiler_clean
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@ -205,9 +209,9 @@ mocclean: compiler_moc_header_clean compiler_moc_source_clean
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mocables: compiler_moc_header_make_all compiler_moc_source_make_all
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compiler_moc_header_make_all: moc_mainwindow.cpp moc_errorwindow.cpp moc_clear_items.cpp moc_start_events.cpp moc_update_fields.cpp
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compiler_moc_header_make_all: moc_mainwindow.cpp moc_errorwindow.cpp moc_clear_items.cpp moc_start_events.cpp moc_update_fields.cpp moc_atomtypeswindow.cpp
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compiler_moc_header_clean:
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-$(DEL_FILE) moc_mainwindow.cpp moc_errorwindow.cpp moc_clear_items.cpp moc_start_events.cpp moc_update_fields.cpp
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-$(DEL_FILE) moc_mainwindow.cpp moc_errorwindow.cpp moc_clear_items.cpp moc_start_events.cpp moc_update_fields.cpp moc_atomtypeswindow.cpp
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moc_mainwindow.cpp: mainwindow.h
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/usr/lib/qt4/bin/moc $(DEFINES) $(INCPATH) mainwindow.h -o moc_mainwindow.cpp
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@ -223,6 +227,9 @@ moc_start_events.cpp: start_events.h
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moc_update_fields.cpp: update_fields.h
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/usr/lib/qt4/bin/moc $(DEFINES) $(INCPATH) update_fields.h -o moc_update_fields.cpp
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moc_atomtypeswindow.cpp: atomtypeswindow.h
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/usr/lib/qt4/bin/moc $(DEFINES) $(INCPATH) atomtypeswindow.h -o moc_atomtypeswindow.cpp
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compiler_rcc_make_all:
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compiler_rcc_clean:
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compiler_image_collection_make_all: qmake_image_collection.cpp
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@ -230,15 +237,18 @@ compiler_image_collection_clean:
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-$(DEL_FILE) qmake_image_collection.cpp
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compiler_moc_source_make_all:
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compiler_moc_source_clean:
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compiler_uic_make_all: ui_mainwindow.h ui_errorwindow.h
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compiler_uic_make_all: ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h
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compiler_uic_clean:
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-$(DEL_FILE) ui_mainwindow.h ui_errorwindow.h
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-$(DEL_FILE) ui_mainwindow.h ui_errorwindow.h ui_atomtypeswindow.h
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ui_mainwindow.h: mainwindow.ui
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/usr/lib/qt4/bin/uic mainwindow.ui -o ui_mainwindow.h
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ui_errorwindow.h: errorwindow.ui
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/usr/lib/qt4/bin/uic errorwindow.ui -o ui_errorwindow.h
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ui_atomtypeswindow.h: atomtypeswindow.ui
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/usr/lib/qt4/bin/uic atomtypeswindow.ui -o ui_atomtypeswindow.h
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compiler_yacc_decl_make_all:
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compiler_yacc_decl_clean:
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compiler_yacc_impl_make_all:
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@ -254,8 +264,10 @@ main.o: main.cpp mainwindow.h
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mainwindow.o: mainwindow.cpp mainwindow.h \
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ui_mainwindow.h \
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atomtypeswindow.h \
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clear_items.h \
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start_events.h
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start_events.h \
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update_fields.h
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$(CXX) -c $(CXXFLAGS) $(INCPATH) -o mainwindow.o mainwindow.cpp
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errorwindow.o: errorwindow.cpp errorwindow.h \
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@ -279,6 +291,12 @@ update_fields.o: update_fields.cpp update_fields.h \
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ui_mainwindow.h
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$(CXX) -c $(CXXFLAGS) $(INCPATH) -o update_fields.o update_fields.cpp
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atomtypeswindow.o: atomtypeswindow.cpp atomtypeswindow.h \
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ui_atomtypeswindow.h \
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errorwindow.h \
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ui_errorwindow.h
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$(CXX) -c $(CXXFLAGS) $(INCPATH) -o atomtypeswindow.o atomtypeswindow.cpp
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moc_mainwindow.o: moc_mainwindow.cpp
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$(CXX) -c $(CXXFLAGS) $(INCPATH) -o moc_mainwindow.o moc_mainwindow.cpp
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@ -294,6 +312,9 @@ moc_start_events.o: moc_start_events.cpp
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moc_update_fields.o: moc_update_fields.cpp
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$(CXX) -c $(CXXFLAGS) $(INCPATH) -o moc_update_fields.o moc_update_fields.cpp
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moc_atomtypeswindow.o: moc_atomtypeswindow.cpp
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$(CXX) -c $(CXXFLAGS) $(INCPATH) -o moc_atomtypeswindow.o moc_atomtypeswindow.cpp
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####### Install
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install: FORCE
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157
mathmech/atomtypeswindow.cpp
Normal file
157
mathmech/atomtypeswindow.cpp
Normal file
@ -0,0 +1,157 @@
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#include <QDir>
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#include <QFileDialog>
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#include <QKeyEvent>
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#include <QTextStream>
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#include "atomtypeswindow.h"
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#include "ui_atomtypeswindow.h"
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#include "errorwindow.h"
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#include "ui_errorwindow.h"
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AtomTypesWindow::AtomTypesWindow(QWidget *parent) :
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QMainWindow(parent),
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ui(new Ui::AtomTypesWindow)
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{
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ui->setupUi(this);
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num_of_mol = new int[100];
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for (int i=0; i<100; i++)
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{
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num_of_mol[i] = 1;
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atomTypes.append(QString(""));
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}
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}
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AtomTypesWindow::~AtomTypesWindow()
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{
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delete ui;
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delete num_of_mol;
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}
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// ESC press event
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void AtomTypesWindow::keyPressEvent(QKeyEvent *pressedKey)
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{
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if (pressedKey->key() == Qt::Key_Escape)
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close();
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}
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// events
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void AtomTypesWindow::on_atomTypes_pushButton_output_clicked()
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{
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QString filename = QFileDialog::getSaveFileName(
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this,
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tr("Save file as..."),
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QDir::currentPath(),
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tr("Atom types files (*.types);;All files (*.*)"));
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if (!filename.isEmpty())
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ui->atomTypes_lineEdit_output->setText(filename);
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}
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void AtomTypesWindow::on_atomTypes_pushButton_add_clicked()
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{
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errorwin = new ErrorWindow(this);
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QString charAtomType = ui->atomTypes_lineEdit_chType->text();
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QString intAtomType= QString::number(ui->atomTypes_spinBox_intType->value());
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if ((charAtomType.count() != 2) || (charAtomType.split(' ', QString::SkipEmptyParts)[0] != charAtomType))
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{
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errorwin->set_message(5);
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errorwin->show();
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return;
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}
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ui->atomTypes_listWidget->addItem(charAtomType + "=" + intAtomType);
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atomTypes[ui->atomTypes_comboBox_mol->currentIndex()] = QString("");
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for (int i=0; i<ui->atomTypes_listWidget->count(); i++)
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atomTypes[ui->atomTypes_comboBox_mol->currentIndex()].append(ui->atomTypes_listWidget->item(i)->text() + ",");
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delete errorwin;
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}
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void AtomTypesWindow::on_atomTypes_pushButton_typeRem_clicked()
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{
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int curIndex = ui->atomTypes_listWidget->currentRow();
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if (curIndex > -1)
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delete ui->atomTypes_listWidget->item(curIndex);
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}
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void AtomTypesWindow::on_atomTypes_pushButton_clear_clicked()
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{
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for (int i=0; i<100; i++)
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{
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num_of_mol[i] = 1;
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atomTypes[i] = QString("");
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}
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ui->atomTypes_lineEdit_output->clear();
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ui->atomTypes_comboBox_mol->clear();
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ui->atomTypes_comboBox_mol->addItem(QString("1"));
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ui->atomTypes_comboBox_mol->addItem(QApplication::translate("AtomTypesWindow", "Add new molecule"));
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}
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void AtomTypesWindow::on_atomTypes_spinBox_numOfMol_editingFinished()
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{
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num_of_mol[ui->atomTypes_comboBox_mol->currentIndex()] = ui->atomTypes_spinBox_numOfMol->value();
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}
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void AtomTypesWindow::on_atomTypes_comboBox_mol_currentIndexChanged(int index)
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{
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ui->atomTypes_lineEdit_chType->clear();
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ui->atomTypes_spinBox_intType->setValue(1);
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ui->atomTypes_listWidget->clear();
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if (ui->atomTypes_comboBox_mol->itemText(index) == (QApplication::translate("AtomTypesWindow", "Add new molecule")))
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{
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ui->atomTypes_comboBox_mol->setItemText(index, QString::number(index+1));
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ui->atomTypes_comboBox_mol->addItem(QApplication::translate("AtomTypesWindow", "Add new molecule"));
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ui->atomTypes_spinBox_numOfMol->setValue(num_of_mol[index]);
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}
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else if (index == -1)
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return;
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else
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{
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ui->atomTypes_spinBox_numOfMol->setValue(num_of_mol[index]);
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ui->atomTypes_listWidget->addItems(atomTypes[index].split(',', QString::SkipEmptyParts));
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}
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}
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void AtomTypesWindow::on_atomTypes_pushButton_create_clicked()
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{
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errorwin = new ErrorWindow(this);
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QString output = ui->atomTypes_lineEdit_output->text();
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QString num_mol = QString::number(ui->atomTypes_comboBox_mol->count() - 1);
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for (int i=0; i<num_mol.toInt(); i++)
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if (atomTypes[i] == "")
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{
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errorwin->set_message(8);
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errorwin->show();
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return;
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}
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if (output == "")
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{
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errorwin->set_message(4);
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errorwin->show();
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return;
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}
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output = QFileInfo(output).absoluteFilePath();
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QFile f_out(output);
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if (!f_out.open(QIODevice::WriteOnly | QIODevice::Text))
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{
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errorwin->set_message(9);
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errorwin->show();
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return;
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}
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QTextStream out(&f_out);
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out << "NUMTYPES=" << num_mol << "\n";
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for (int i=0; i<num_mol.toInt(); i++)
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{
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out << "NUMMOL=" << num_of_mol[i] << "\n";
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out << "NUMAT=" << atomTypes[i].split(',', QString::SkipEmptyParts).count() << "\n";
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out << atomTypes[i].split(',', QString::SkipEmptyParts).join("\n") << "\n";
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}
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f_out.close();
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on_atomTypes_pushButton_clear_clicked();
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delete errorwin;
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}
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40
mathmech/atomtypeswindow.h
Normal file
40
mathmech/atomtypeswindow.h
Normal file
@ -0,0 +1,40 @@
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#ifndef ATOMTYPESWINDOW_H
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#define ATOMTYPESWINDOW_H
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#include <QMainWindow>
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|
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class ErrorWindow;
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|
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namespace Ui {
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class AtomTypesWindow;
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}
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|
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class AtomTypesWindow : public QMainWindow
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{
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Q_OBJECT
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public:
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explicit AtomTypesWindow(QWidget *parent = 0);
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~AtomTypesWindow();
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private slots:
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// events
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void on_atomTypes_pushButton_output_clicked();
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void on_atomTypes_pushButton_add_clicked();
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void on_atomTypes_pushButton_typeRem_clicked();
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void on_atomTypes_pushButton_clear_clicked();
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void on_atomTypes_spinBox_numOfMol_editingFinished();
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void on_atomTypes_comboBox_mol_currentIndexChanged(int index);
|
||||
void on_atomTypes_pushButton_create_clicked();
|
||||
|
||||
private:
|
||||
Ui::AtomTypesWindow *ui;
|
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ErrorWindow *errorwin;
|
||||
int *num_of_mol;
|
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QStringList atomTypes;
|
||||
|
||||
// ESC pressed event
|
||||
void keyPressEvent(QKeyEvent *pressedKey);
|
||||
};
|
||||
|
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#endif /* ATOMTYPESWINDOW_H */
|
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361
mathmech/atomtypeswindow.ui
Normal file
361
mathmech/atomtypeswindow.ui
Normal file
@ -0,0 +1,361 @@
|
||||
<?xml version="1.0" encoding="UTF-8"?>
|
||||
<ui version="4.0">
|
||||
<class>AtomTypesWindow</class>
|
||||
<widget class="QMainWindow" name="AtomTypesWindow">
|
||||
<property name="geometry">
|
||||
<rect>
|
||||
<x>0</x>
|
||||
<y>0</y>
|
||||
<width>468</width>
|
||||
<height>320</height>
|
||||
</rect>
|
||||
</property>
|
||||
<property name="windowTitle">
|
||||
<string>Atom types</string>
|
||||
</property>
|
||||
<widget class="QWidget" name="centralwidget">
|
||||
<layout class="QVBoxLayout" name="verticalLayout">
|
||||
<item>
|
||||
<layout class="QHBoxLayout" name="atomTypes_layout_output">
|
||||
<item>
|
||||
<widget class="QLabel" name="atomTypes_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="atomTypes_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="atomTypes_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="atomTypes_layout_mol">
|
||||
<item>
|
||||
<widget class="QLabel" name="atomTypes_label_mol">
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>110</width>
|
||||
<height>23</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Molecule</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QComboBox" name="atomTypes_comboBox_mol">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="Expanding" vsizetype="Fixed">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>130</width>
|
||||
<height>23</height>
|
||||
</size>
|
||||
</property>
|
||||
<item>
|
||||
<property name="text">
|
||||
<string>1</string>
|
||||
</property>
|
||||
</item>
|
||||
<item>
|
||||
<property name="text">
|
||||
<string>Add new molecule</string>
|
||||
</property>
|
||||
</item>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QLabel" name="atomTypes_label_numOfMol">
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>130</width>
|
||||
<height>23</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Number of molecules</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QSpinBox" name="atomTypes_spinBox_numOfMol">
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>60</width>
|
||||
<height>23</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="alignment">
|
||||
<set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
|
||||
</property>
|
||||
<property name="minimum">
|
||||
<number>1</number>
|
||||
</property>
|
||||
<property name="maximum">
|
||||
<number>999</number>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</item>
|
||||
<item>
|
||||
<layout class="QHBoxLayout" name="atomTypes_layout_atom">
|
||||
<item>
|
||||
<widget class="QLabel" name="atomTypes_label_chType">
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>110</width>
|
||||
<height>23</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Char atom type</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QLineEdit" name="atomTypes_lineEdit_chType">
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>60</width>
|
||||
<height>23</height>
|
||||
</size>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QLabel" name="atomTypes_label_intType">
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>110</width>
|
||||
<height>23</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Int atom type</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QSpinBox" name="atomTypes_spinBox_intType">
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>60</width>
|
||||
<height>23</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="alignment">
|
||||
<set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
|
||||
</property>
|
||||
<property name="minimum">
|
||||
<number>1</number>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QPushButton" name="atomTypes_pushButton_add">
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>80</width>
|
||||
<height>23</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Add</string>
|
||||
</property>
|
||||
<property name="autoDefault">
|
||||
<bool>true</bool>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QListWidget" name="atomTypes_listWidget">
|
||||
<property name="editTriggers">
|
||||
<set>QAbstractItemView::NoEditTriggers</set>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<layout class="QHBoxLayout" name="atomTypes_layout_intRem">
|
||||
<item>
|
||||
<spacer name="horizontalSpacer_5">
|
||||
<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="atomTypes_pushButton_typeRem">
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>80</width>
|
||||
<height>23</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Remove</string>
|
||||
</property>
|
||||
<property name="autoDefault">
|
||||
<bool>true</bool>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</item>
|
||||
<item>
|
||||
<layout class="QHBoxLayout" name="atomTypes_layout_buttons">
|
||||
<item>
|
||||
<widget class="QPushButton" name="atomTypes_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="atomTypes_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="atomTypes_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>atomTypes_lineEdit_output</tabstop>
|
||||
<tabstop>atomTypes_pushButton_output</tabstop>
|
||||
<tabstop>atomTypes_comboBox_mol</tabstop>
|
||||
<tabstop>atomTypes_spinBox_numOfMol</tabstop>
|
||||
<tabstop>atomTypes_lineEdit_chType</tabstop>
|
||||
<tabstop>atomTypes_spinBox_intType</tabstop>
|
||||
<tabstop>atomTypes_pushButton_add</tabstop>
|
||||
<tabstop>atomTypes_listWidget</tabstop>
|
||||
<tabstop>atomTypes_pushButton_typeRem</tabstop>
|
||||
<tabstop>atomTypes_pushButton_clear</tabstop>
|
||||
<tabstop>atomTypes_pushButton_create</tabstop>
|
||||
<tabstop>atomTypes_pushButton_close</tabstop>
|
||||
</tabstops>
|
||||
<resources/>
|
||||
<connections>
|
||||
<connection>
|
||||
<sender>atomTypes_pushButton_close</sender>
|
||||
<signal>clicked()</signal>
|
||||
<receiver>AtomTypesWindow</receiver>
|
||||
<slot>close()</slot>
|
||||
<hints>
|
||||
<hint type="sourcelabel">
|
||||
<x>388</x>
|
||||
<y>294</y>
|
||||
</hint>
|
||||
<hint type="destinationlabel">
|
||||
<x>447</x>
|
||||
<y>324</y>
|
||||
</hint>
|
||||
</hints>
|
||||
</connection>
|
||||
</connections>
|
||||
</ui>
|
||||
@ -34,7 +34,7 @@ void ErrorWindow::set_message(int mess)
|
||||
message = QApplication::translate("ErrorWindow", "Output file is not set");
|
||||
break;
|
||||
case 5:
|
||||
|
||||
message = QApplication::translate("ErrorWindow", "Atom type must contain 2 characters");
|
||||
break;
|
||||
case 6:
|
||||
message = QApplication::translate("ErrorWindow", "Log file is not set");
|
||||
@ -43,10 +43,10 @@ void ErrorWindow::set_message(int mess)
|
||||
message = QApplication::translate("ErrorWindow", "Component is not found");
|
||||
break;
|
||||
case 8:
|
||||
|
||||
message = QApplication::translate("ErrorWindow", "Atom types is not set");
|
||||
break;
|
||||
case 9:
|
||||
|
||||
message = QApplication::translate("ErrorWindow", "Something wrong");
|
||||
break;
|
||||
case 10:
|
||||
message = QApplication::translate("ErrorWindow", "Interactions are not set");
|
||||
@ -59,6 +59,9 @@ void ErrorWindow::set_message(int mess)
|
||||
break;
|
||||
case 13:
|
||||
|
||||
break;
|
||||
default:
|
||||
message = QApplication::translate("ErrorWindow", "Unknown error");
|
||||
break;
|
||||
}
|
||||
|
||||
|
||||
@ -3,6 +3,7 @@
|
||||
|
||||
#include "mainwindow.h"
|
||||
#include "ui_mainwindow.h"
|
||||
#include "atomtypeswindow.h"
|
||||
#include "clear_items.h"
|
||||
#include "start_events.h"
|
||||
#include "update_fields.h"
|
||||
@ -17,7 +18,9 @@ MainWindow::MainWindow(QWidget *parent) :
|
||||
ui->setupUi(this);
|
||||
statgen_crit = new float[10];
|
||||
|
||||
ui->statusBar->showMessage(QString("Ready"));
|
||||
ui->statusBar->showMessage(QApplication::translate("MainWindow", "Ready"));
|
||||
|
||||
createActions();
|
||||
|
||||
// TODO: read config
|
||||
// language = QString("eng");
|
||||
@ -522,8 +525,9 @@ void MainWindow::on_statgen_pushButton_intAdd_clicked()
|
||||
|
||||
void MainWindow::on_stagen_pushButton_intRem_clicked()
|
||||
{
|
||||
if (int curIndex = ui->statgen_listWidget_int->currentRow() > -1)
|
||||
delete ui->statgen_listWidget_int->item(curIndex-1);
|
||||
int curIndex = ui->statgen_listWidget_int->currentRow();
|
||||
if (curIndex > -1)
|
||||
delete ui->statgen_listWidget_int->item(curIndex);
|
||||
}
|
||||
|
||||
// start signals
|
||||
@ -574,3 +578,16 @@ void MainWindow::on_tabWidget_currentChanged(int index)
|
||||
break;
|
||||
}
|
||||
}
|
||||
|
||||
// window signals
|
||||
void MainWindow::createActions()
|
||||
{
|
||||
connect(ui->actionAtom_types_file, SIGNAL(triggered()), this, SLOT(createAtomTypes()));
|
||||
}
|
||||
|
||||
void MainWindow::createAtomTypes()
|
||||
{
|
||||
AtomTypesWindow *atomTypes;
|
||||
atomTypes = new AtomTypesWindow(this);
|
||||
atomTypes->show();
|
||||
}
|
||||
|
||||
@ -73,6 +73,8 @@ private slots:
|
||||
void on_pdb_pushButton_start_clicked();
|
||||
// completion
|
||||
void on_tabWidget_currentChanged(int index);
|
||||
// window signals
|
||||
void createAtomTypes();
|
||||
|
||||
private:
|
||||
Ui::MainWindow *ui;
|
||||
@ -91,6 +93,9 @@ private:
|
||||
friend class Start_events;
|
||||
Update_fields *update_fields;
|
||||
friend class Update_fields;
|
||||
|
||||
// window signals
|
||||
void createActions();
|
||||
};
|
||||
|
||||
#endif /* MAINWINDOW_H */
|
||||
|
||||
@ -3272,6 +3272,14 @@
|
||||
<property name="title">
|
||||
<string>Menu</string>
|
||||
</property>
|
||||
<widget class="QMenu" name="menuFile_creator">
|
||||
<property name="title">
|
||||
<string>File creator</string>
|
||||
</property>
|
||||
<addaction name="actionAtom_types_file"/>
|
||||
<addaction name="actionAgglomerate_file"/>
|
||||
</widget>
|
||||
<addaction name="menuFile_creator"/>
|
||||
<addaction name="actionExit"/>
|
||||
</widget>
|
||||
<widget class="QMenu" name="menuHelp">
|
||||
@ -3295,7 +3303,10 @@
|
||||
<widget class="QStatusBar" name="statusBar"/>
|
||||
<action name="actionExit">
|
||||
<property name="text">
|
||||
<string>Exit</string>
|
||||
<string>&Quit</string>
|
||||
</property>
|
||||
<property name="toolTip">
|
||||
<string>Quit</string>
|
||||
</property>
|
||||
<property name="shortcut">
|
||||
<string>Ctrl+Q</string>
|
||||
@ -3303,7 +3314,7 @@
|
||||
</action>
|
||||
<action name="actionHelp">
|
||||
<property name="text">
|
||||
<string>Help</string>
|
||||
<string>&Help</string>
|
||||
</property>
|
||||
<property name="shortcut">
|
||||
<string>F1</string>
|
||||
@ -3314,6 +3325,16 @@
|
||||
<string>About</string>
|
||||
</property>
|
||||
</action>
|
||||
<action name="actionAtom_types_file">
|
||||
<property name="text">
|
||||
<string>Atom &types file</string>
|
||||
</property>
|
||||
</action>
|
||||
<action name="actionAgglomerate_file">
|
||||
<property name="text">
|
||||
<string>&Agglomerate file</string>
|
||||
</property>
|
||||
</action>
|
||||
</widget>
|
||||
<layoutdefault spacing="6" margin="11"/>
|
||||
<tabstops>
|
||||
|
||||
Binary file not shown.
@ -12,11 +12,14 @@ HEADERS += mainwindow.h \
|
||||
errorwindow.h \
|
||||
clear_items.h \
|
||||
start_events.h \
|
||||
update_fields.h
|
||||
update_fields.h \
|
||||
atomtypeswindow.h
|
||||
FORMS += mainwindow.ui \
|
||||
errorwindow.ui
|
||||
errorwindow.ui \
|
||||
atomtypeswindow.ui
|
||||
SOURCES += main.cpp mainwindow.cpp \
|
||||
errorwindow.cpp \
|
||||
clear_items.cpp \
|
||||
start_events.cpp \
|
||||
update_fields.cpp
|
||||
update_fields.cpp \
|
||||
atomtypeswindow.cpp
|
||||
|
||||
@ -1,6 +1,6 @@
|
||||
<?xml version="1.0" encoding="UTF-8"?>
|
||||
<!DOCTYPE QtCreatorProject>
|
||||
<!-- Written by QtCreator 2.8.0, 2013-08-08T06:17:50. -->
|
||||
<!-- Written by QtCreator 2.8.0, 2013-08-08T18:10:35. -->
|
||||
<qtcreator>
|
||||
<data>
|
||||
<variable>ProjectExplorer.Project.ActiveTarget</variable>
|
||||
|
||||
@ -6,8 +6,6 @@
|
||||
#include "mainwindow.h"
|
||||
#include "ui_mainwindow.h"
|
||||
|
||||
#include <stdio.h>
|
||||
|
||||
Update_fields::Update_fields(MainWindow *wid) :
|
||||
parent(wid)
|
||||
{
|
||||
|
||||
@ -21,7 +21,6 @@ public slots:
|
||||
|
||||
private:
|
||||
MainWindow *parent;
|
||||
|
||||
};
|
||||
|
||||
#endif /* UPDATE_FIELDS_H */
|
||||
|
||||
Reference in New Issue
Block a user