def __init__(self):
super(QtMolecularViewer, self).__init__()
self.actions = {}
self.representation = None
self.widget.background_color = colors.black
#####################################
# This is all UI stuff
#####################################
self.widget.clicked.connect(self.on_click)
# Let's add some dock
self.controls = QtGui.QDockWidget()
# Eliminate the dock titlebar
title_widget = QtGui.QWidget(self)
self.controls.setTitleBarWidget(title_widget)
hb = QtGui.QHBoxLayout() # For controls
self.keys = {}
self.actions['action1'] = QtGui.QPushButton('action1')
self.actions['action2'] = QtGui.QPushButton('action2')
# Sidebar definition
dock2 = QtGui.QDockWidget()
self.status_bar = QtGui.QLabel()
self.ipython = QIPythonWidget()
self.ipython.initialize()
wrapper2 = QtGui.QWidget(self)
vb = QtGui.QVBoxLayout(self)
vb.setSizeConstraint(QtGui.QLayout.SetMaximumSize)
self.traj_controls = TrajectoryControls()
vb.addWidget(self.traj_controls, 1)
vb.addWidget(self.ipython, 2)
vb.addWidget(self.status_bar, 0)
wrapper2.setLayout(vb)
dock2.setWidget(wrapper2)
self.addDockWidget(Qt.DockWidgetArea(Qt.BottomDockWidgetArea),
dock2)
self.traj_controls.hide()
############################################
# Initialization code
############################################
self.namespace = self.ipython.get_user_namespace()
self.namespace['__builtins__'].viewer = self
self.ipython.ex('from chemlab.mviewer.api.init import *')
def addWidget(self):
"""
This method adds the Component Widget to the engine.
:return: Method success. ( Boolean )
"""
LOGGER.debug("> Adding '{0}' Component Widget.".format(self.__class__.__name__))
self.__engine.addDockWidget(Qt.DockWidgetArea(self.__dockArea), self)
return True
def __init__(self):
super(QtTrajectoryViewer, self).__init__()
self.controls = QDockWidget()
# Eliminate the dock titlebar
title_widget = QtGui.QWidget(self)
self.controls.setTitleBarWidget(title_widget)
traj_controls = TrajectoryControls(self)
self.controls.setWidget(traj_controls)
# Molecular viewer
self.widget = QChemlabWidget(self)
self.setCentralWidget(self.widget)
self.addDockWidget(Qt.DockWidgetArea(Qt.BottomDockWidgetArea),
self.controls)
self.show()
# Replace in this way
traj_controls.frame_changed.connect(self.on_frame_changed)
self.traj_controls = traj_controls
def _setupUi(self, background=None):
"""
Make the GUI
"""
#mdi
self.mdiArea = MSMdiArea(self)
self.mdiArea.setBackground(QBrush(QPixmap(path.normcase('gui/icons/blac2.png'))))#QColor(Qt.blue).darker()))
self.setCentralWidget(self.mdiArea)
#sample dock widget
self.sampleDockWidget = QDockWidget("Samples", self)
#sampleWidget = QWidget()
self.sampleTableView = MSDragFromTableView()
self.sampleTableView.setModel(self.sampleModel)
self.sampleTableView.setSelectionBehavior(1)
self.sampleTableView.verticalHeader().hide()
self.sampleTableView.verticalHeader().setDefaultSectionSize(15)
self.sampleTableView.horizontalHeader().setDefaultSectionSize(150)
self.sampleDockWidget.setWidget(self.sampleTableView)#sampleWidget)
self.sampleDockWidget.visible=True
#workflow dock
self.workflowDockWidget = QDockWidget("Visualizer", self)
self.workflowDockWidget.visible = True
a=QWidget(self)
v=QVBoxLayout(a)
q=QToolBar()
#self.workingSample = QLabel("Working Sample:None")
#q.addWidget(self.workingSample)
q.addWidget(QLabel("ppm :"))
self.ppmEditer=QDoubleSpinBox()
self.usePpm=QCheckBox("use ?")
q.addWidget(self.ppmEditer)
q.addWidget(self.usePpm)
q.addSeparator()
self.removeButton=QToolButton(self)
self.removeButton.setIcon(QIcon(path.normcase("gui/icons/delete.png")))
q.addWidget(self.removeButton)
self.markAsGood=QAction(QIcon(path.normcase("gui/icons/button_ok.png")),"mark peak as good", self)
self.markAsBad=QAction(QIcon(path.normcase("gui/icons/stop.png")), "mark peak as bad", self)
self.hideItem = QAction(QIcon(path.normcase("gui/icons/list_remove.png")), "Hide Item", self)
q.addAction(self.markAsGood)
q.addAction(self.markAsBad)
q.addAction(self.hideItem)
v.addWidget(q)
self.tabWidget = QTabWidget()
self.tab = QWidget()
verticalLayout = QVBoxLayout(self.tab)
self.treeView = MSToDropTableView()
self.treeView.verticalHeader().setDefaultSectionSize(20)
self.treeView.setModel(self.spectraModel)
self.spectraLabel = QLabel("Sample: None")
verticalLayout.addWidget(self.treeView)
verticalLayout.addWidget(self.spectraLabel)
self.tabWidget.addTab(self.tab, QIcon(path.normcase("gui/icons/spectrumicon.png")),"Spectra")
self.tab_2 = QWidget()
verticalLayout_4 = QVBoxLayout(self.tab_2)
self.treeView_2 = MSToDropTableView()#MSTreeView(self.tab_2)# QTableView(self)#
self.treeView_2.verticalHeader().setDefaultSectionSize(20)
self.treeView_2.setModel(self.peakModel)
self.peakLabel = QLabel("Sample: None")
verticalLayout_4.addWidget(self.treeView_2)
verticalLayout_4.addWidget(self.peakLabel)
self.tabWidget.addTab(self.tab_2,QIcon(path.normcase("gui/icons/peakicon.png")), "Peaks List")
self.tab_3 = QWidget()
verticalLayout_5 = QVBoxLayout(self.tab_3)
self.treeView_3 = MSToDropTreeView()
self.treeView_3.setAnimated(True)
self.treeView_3.setModel(self.clusterModel)
self.clusterLabel = QLabel("Sample: None")
verticalLayout_5.addWidget(self.treeView_3)
verticalLayout_5.addWidget(self.clusterLabel)
self.tabWidget.addTab(self.tab_3, QIcon(path.normcase("gui/icons/clustering.png")), "Clusters")
self.tabWidget.setCurrentIndex(0)
for l in (self.spectraLabel, self.peakLabel, self.clusterLabel):
l.setAutoFillBackground(True)
v.addWidget(self.tabWidget)
self.workflowDockWidget.setWidget(a)
self.addDockWidget(Qt.DockWidgetArea(0x2),self.workflowDockWidget)
from gui.MetBaseGui import MSIsoCalculator
self.isoCalc = MSIsoCalculator(self)
self.isoCalcDockWidget=QDockWidget('isotopes calculation', self)
self.isoCalcDockWidget.setWidget(self.isoCalc)
self.addDockWidget(Qt.DockWidgetArea(0x2), self.isoCalcDockWidget)
self.isoCalcDockWidget.setVisible(False)
self.isoCalcDockWidget.visible=False
from gui.MetBaseGui import FormulaGenerator
self.generator=FormulaGenerator(self)
self.generatorDockWidget=QDockWidget('formula generator', self)
self.generatorDockWidget.setWidget(self.generator)
self.addDockWidget(Qt.DockWidgetArea(0x2), self.generatorDockWidget)
self.generatorDockWidget.setVisible(False)
self.generatorDockWidget.visible=False
self.compoundTreeView = MSCompoundTreeView(self)
self.compoundDockWidget = QDockWidget("Compounds", self)
self.compoundDockWidget.setWidget(self.compoundTreeView)
self.addDockWidget(Qt.DockWidgetArea(0x2),self.compoundDockWidget)
self.compoundDockWidget.setVisible(False)
self.compoundDockWidget.visible=False
self.comparativeTableView = QTableView(self)
self.comparativeTableView.horizontalHeader().setStretchLastSection(True)
self.comparativeTableView.verticalHeader().setDefaultSectionSize(20)
self.comparativeDock = QDockWidget("Comparative View", self)
self.comparativeDock.setWidget(self.comparativeTableView)
self.addDockWidget(Qt.DockWidgetArea(0x8), self.comparativeDock)
self.comparativeDock.setVisible(False)
self.comparativeDock.visible = False
self.tabifyDockWidget(self.compoundDockWidget, self.isoCalcDockWidget)
self.tabifyDockWidget(self.isoCalcDockWidget, self.workflowDockWidget )
self.tabifyDockWidget(self.workflowDockWidget, self.generatorDockWidget)
#set the end
#WARNING: possible that the internal shell widget cause random segfault
#with the error of QObject::killTimers...? not sure !
self.shell = QWidget()#InternalShell(namespace={'metms': QApplication.instance()},
# parent=self,
# multithreaded=False)
self.shellDock = QDockWidget("Python Shell", self)
self.shellDock.setWindowIcon(QIcon(path.normcase('gui/icons/stop.png')))
self.shellDock.setWidget(self.shell)
self.shellDock.setMinimumWidth(255)
self.shellDock.visible=True
self.addDockWidget(0x2, self.shellDock)
self.addDockWidget(0x2, self.sampleDockWidget)
self.tabifyDockWidget(self.shellDock, self.sampleDockWidget)
self.pb = QProgressBar(self)
self.pb.setMaximumWidth(245)
self.stopProcess = QToolButton(self)
self.stopProcess.setIcon(QIcon(path.normcase("gui/icons/process_stop.png")))
m = QMenu()
#self.connect(m, SIGNAL('triggered(QAction*'), QApplication.instance().taskManager.abortByName)
self.stopProcess.setMenu(m)
self.stopProcess.setPopupMode(1) #Menu Button
#self.connect(self.stopProcess, SIGNAL("clicked()"), self.stopThread)
self.statusBar().addPermanentWidget(self.stopProcess)
self.statusBar().addPermanentWidget(self.pb)
