def __init__(self, system):
super(QtMolecularViewer, self).__init__()
self.actions = {}
self.system = system
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
dock1 = QtGui.QDockWidget()
bt1 = IconButton(os.path.join(resources_dir, 'select_atoms.svg'),
'Select all atoms')
bt2 = IconButton(os.path.join(resources_dir, 'select_molecules.svg'),
'Select all molecules')
bt3 = IconButton(os.path.join(resources_dir, 'hide_icon.svg'),
'Hide selected')
bt4 = IconButton(os.path.join(resources_dir, 'show_icon.svg'),
'Show selected')
self.actions['select_all_atoms'] = bt1
self.actions['select_all_molecules'] = bt2
self.actions['hide'] = bt3
self.actions['show'] = bt4
layout = QtGui.QGridLayout()
layout.addWidget(bt1, 0, 0, Qt.AlignLeft)
layout.addWidget(bt2, 0, 1, Qt.AlignLeft)
layout.addWidget(bt3, 1, 0, Qt.AlignLeft)
layout.addWidget(bt4, 1, 1, Qt.AlignLeft)
layout.setColumnStretch(3, 1)
layout.setRowStretch(2, 1)
wrapper = QtGui.QWidget()
wrapper.setLayout(layout)
dock1.setWidget(wrapper)
wrapper.setFixedSize(150, 100)
self.addDockWidget(Qt.DockWidgetArea(Qt.RightDockWidgetArea), dock1)
self._repr_controls = QtGui.QDockWidget()
self.addDockWidget(Qt.RightDockWidgetArea, self._repr_controls)
#self.add_representation(VdWRepresentation)
self.add_representation(BallAndStickRepresentation)
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 __init__(self):
super(QtMolecularViewer, self).__init__()
self.actions = {}
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
dock1 = QtGui.QDockWidget()
dock2 = QtGui.QDockWidget()
bt1 = IconButton(os.path.join(resources_dir, 'select_atoms.svg'),
'Select all atoms')
bt2 = IconButton(os.path.join(resources_dir, 'select_molecules.svg'),
'Select all molecules')
bt3 = IconButton(os.path.join(resources_dir, 'hide_icon.svg'),
'Hide selected')
bt4 = IconButton(os.path.join(resources_dir, 'show_icon.svg'),
'Show selected')
self.actions['select_all_atoms'] = bt1
self.actions['select_all_molecules'] = bt2
self.actions['hide'] = bt3
self.actions['show'] = bt4
layout = QtGui.QGridLayout()
layout.addWidget(bt1, 0, 0, Qt.AlignLeft)
layout.addWidget(bt2, 0, 1, Qt.AlignLeft)
layout.addWidget(bt3, 1, 0, Qt.AlignLeft)
layout.addWidget(bt4, 1, 1, Qt.AlignLeft)
layout.setColumnStretch(3, 1)
layout.setRowStretch(2, 1)
wrapper = QtGui.QWidget()
wrapper.setLayout(layout)
dock1.setWidget(wrapper)
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)
wrapper2.setLayout(vb)
dock2.setWidget(wrapper2)
wrapper.setFixedSize(150, 100)
self.addDockWidget(Qt.DockWidgetArea(Qt.RightDockWidgetArea), dock1)
self.addDockWidget(Qt.DockWidgetArea(Qt.BottomDockWidgetArea), dock2)
self._repr_controls = QtGui.QDockWidget()
self.addDockWidget(Qt.RightDockWidgetArea, self._repr_controls)
############################################
# Initialization code
############################################
self.namespace = self.ipython.get_user_namespace()
self.namespace['__builtins__'].viewer = self
#self.ipython.app.shell.ex('import sys')
#self.ipython.app.shell.ex('''sys.path.append('/home/gabriele/workspace/chemlab/toolboxes/')''')
self.ipython.app.shell.ex(
'from chemlab.mviewer.toolboxes.init import *')
def __init__(self):
super(QtTrajectoryViewer, self).__init__()
self.controls = QDockWidget()
self._timer = QtCore.QTimer(self)
self._timer.timeout.connect(self.do_update)
# Eliminate the dock titlebar
title_widget = QtGui.QWidget(self)
self.controls.setTitleBarWidget(title_widget)
vb = QtGui.QVBoxLayout()
hb = QtGui.QHBoxLayout() # For controls
containerhb2 = QtGui.QWidget(self)
hb2 = QtGui.QHBoxLayout() # For settings
containerhb2.setLayout(hb2)
containerhb2.setSizePolicy(QtGui.QSizePolicy.Minimum,
QtGui.QSizePolicy.Minimum)
vb.addWidget(containerhb2)
vb.addLayout(hb)
self.vb = vb
# Settings buttons
hb2.addWidget(QtGui.QLabel('Speed'))
self._speed_slider = QtGui.QSlider(Qt.Horizontal)
self._speed_slider.resize(100, self._speed_slider.height())
self._speed_slider.setSizePolicy(QtGui.QSizePolicy.Fixed,
QtGui.QSizePolicy.Fixed)
self.speeds = np.linspace(15, 250, 11).astype(int)
self.speeds = self.speeds.tolist()
self.speeds.reverse()
self._speed_slider.setMaximum(10)
self._speed_slider.setValue(7)
self._speed_slider.valueChanged.connect(self.on_speed_changed)
hb2.addWidget(self._speed_slider)
hb2.addStretch(1)
wrapper = QtGui.QWidget()
wrapper.setLayout(vb)
# Molecular viewer
self.widget = QChemlabWidget(self)
self.setCentralWidget(self.widget)
# Control buttons
self.play_stop = PlayStopButton()
hb.addWidget(self.play_stop)
self.slider = AnimationSlider()
hb.addWidget(self.slider, 2)
self._label_tmp = '<b><FONT SIZE=30>{}</b>'
self.timelabel = QtGui.QLabel(self._label_tmp.format('0.0'))
hb.addWidget(self.timelabel)
self._settings_button = QtGui.QPushButton()
self._settings_button.setStyleSheet('''
QPushButton {
width: 30px;
height: 30px;
}''')
icon = QtGui.QIcon(os.path.join(resources_dir, 'settings_icon.svg'))
self._settings_button.setIcon(icon)
self._settings_button.clicked.connect(self._toggle_settings)
hb.addWidget(self._settings_button)
self.controls.setWidget(wrapper)
self.addDockWidget(Qt.DockWidgetArea(Qt.BottomDockWidgetArea),
self.controls)
self._settings_pan = containerhb2
self.show()
self.speed = self.speeds[self._speed_slider.value()]
# Connecting all the signals
self.play_stop.play.connect(self.on_play)
self.play_stop.pause.connect(self.on_pause)
self.slider.valueChanged.connect(self.on_slider_change)
self.slider.sliderPressed.connect(self.on_slider_down)
self.play_stop.setFocus()
vb.setSizeConstraint(QtGui.QLayout.SetMaximumSize)
containerhb2.setVisible(False)
