class Ui_MainWindow(object):
def setupUi(self, MainWindow):
MainWindow.setObjectName(_fromUtf8("MainWindow"))
self.resize(1920, 1080)
self.status = False
self.setAutoFillBackground(False)
self.setDocumentMode(False)
self.centralwidget = QtGui.QWidget(MainWindow)
self.centralwidget.setObjectName(_fromUtf8("centralwidget"))
self.exitAct = QAction(QIcon('exit.png'), '&Exit', self)
self.exitAct.setShortcut('Ctrl+Q')
self.exitAct.setStatusTip('Exit application')
self.exitAct.triggered.connect(qApp.quit)
self.loadAct = QAction(QIcon('exit.png'), '&Import Unfolding', self)
self.loadAct.setShortcut('Ctrl+L')
self.loadAct.setStatusTip('Import Unfolding')
self.loadAct.triggered.connect(self.openFileNameDialog)
self.exportAct = QAction(QIcon('exit.png'), '&Export Unfolding', self)
self.exportAct.setShortcut('Ctrl+E')
self.exportAct.setStatusTip('Export Unfolding')
self.exportAct.triggered.connect(self.exportUnfolding)
self.writeNPAct = QAction(QIcon('exit.png'),
'&Write coordinates as np file', self)
self.writeNPAct.setShortcut('Ctrl+W')
self.writeNPAct.setStatusTip('Write coordinates')
self.writeNPAct.triggered.connect(self.writeNP_file)
self.loadGeometryAct = QAction(QIcon('exit.png'),
'&Load geometry from .log file', self)
#self.loadGeometry.setShortcut('Ctrl+W')
self.loadGeometryAct.setStatusTip('Load geometry')
self.loadGeometryAct.triggered.connect(self.loadGeometry)
self.select_directoryAct = QAction(
QIcon('exit.png'),
'&Select a directory to generate hdf5 files from', self)
self.select_directoryAct.setStatusTip('Select directory')
self.select_directoryAct.triggered.connect(self.select_directory)
self.load_HDF5Act = QAction(QIcon('exit.png'),
'&Select a hdf5 files for the DFT data',
self)
self.load_HDF5Act.setStatusTip('Select HDF5')
self.load_HDF5Act.triggered.connect(self.load_hdf5_scan)
self.statusBar()
self.menubar = self.menuBar()
self.fileMenu = self.menubar.addMenu('&File')
self.fileMenu.addAction(self.exitAct)
self.fileMenu.addAction(self.loadAct)
self.fileMenu.addAction(self.exportAct)
self.fileMenu.addAction(self.writeNPAct)
self.fileMenu.addAction(self.loadGeometryAct)
self.fileMenu.addAction(self.select_directoryAct)
self.fileMenu.addAction(self.load_HDF5Act)
self.horizontalLayout = QHBoxLayout(self.centralwidget)
self.horizontalLayout.setSpacing(10)
self.verticalLayout = QVBoxLayout()
### Containing the integration buttons
self.horizontalLayout_2 = QHBoxLayout()
### Containing the inital/final position show
self.finalPositionLayout = QHBoxLayout()
self.gl_widget = gl.GLViewWidget()
self.gl_widget.setCameraPosition(distance=20, elevation=40)
self.gl_widget.setGeometry(0, 110, 1920, 1080)
self.energy_Plot = PlotWidget()
self.energy_Plot.setObjectName(_fromUtf8("energyPlot"))
self.energy_Plot.setBackground('k')
# set properties of the label for y axis
self.energy_Plot.setLabel('left', 'E(B3LYP)', units='H')
# set properties of the label for x axis
self.energy_Plot.setLabel('bottom', 'CC-distance', units='A')
# adding legend
self.energy_Plot.addLegend()
self.horizontalLayout.addWidget(self.gl_widget, 4)
### Push button for sinle integration
self.btnUp = QPushButton()
self.btnUp.setObjectName(_fromUtf8("btnUp"))
### Check box for continous integration
self.chkIntegrate = QCheckBox()
self.chkIntegrate.setObjectName(_fromUtf8("chkIntegrate"))
### SpinBox to set the size of the integration step
self.spinStep = QSpinBox()
self.spinStep.setMinimum(0)
self.spinStep.setMaximum(10000)
self.spinStep.setObjectName(_fromUtf8("spinStep"))
### final position button
self.btnFin = QPushButton()
self.btnFin.setObjectName(_fromUtf8("btnFin"))
### initial position button
self.btnInit = QPushButton()
self.btnInit.setObjectName(_fromUtf8("btnPos"))
### select hinges button
self.btnSelHinge = QPushButton()
self.btnSelHinge.setObjectName(_fromUtf8("btnSelHinge"))
### close unfolding button
self.btnClose = QPushButton()
self.btnClose.setObjectName(_fromUtf8("btnClose"))
### add the buttons to the integration layout
self.horizontalLayout_2.addWidget(self.spinStep)
self.horizontalLayout_2.addWidget(self.btnUp)
self.horizontalLayout_2.addWidget(self.chkIntegrate)
## add final position button to layout
self.finalPositionLayout.addWidget(self.btnInit)
self.finalPositionLayout.addWidget(self.btnFin)
self.finalPositionLayout.addWidget(self.btnSelHinge)
self.finalPositionLayout.addWidget(self.btnClose)
### add integration and final position layout and plot widget to right side layout
self.verticalLayout.addLayout(self.horizontalLayout_2, 1)
self.verticalLayout.addLayout(self.finalPositionLayout, 1)
self.verticalLayout.addWidget(self.energy_Plot, 6)
self.horizontalLayout.addLayout(self.verticalLayout, 1)
self.widget = QWidget()
self.widget.setLayout(self.horizontalLayout)
self.setCentralWidget(self.widget)
self.retranslateUi(MainWindow)
QtCore.QMetaObject.connectSlotsByName(MainWindow)
self.setWindowTitle('Fullerene Unfolding')
def retranslateUi(self, MainWindow):
MainWindow.setWindowTitle(_translate("MainWindow", "MainWindow", None))
self.btnUp.setText("Integrate")
self.chkIntegrate.setText("Keep integrating")
self.btnFin.setText("Final position")
self.btnInit.setText("Initial position")
self.btnClose.setText("Close unfolding")
self.btnSelHinge.setText("Select Hinges")
