class QtTrajectoryViewer(QMainWindow):
"""Bases: `PySide.QtGui.QMainWindow`
Interface for viewing trajectory.
It provides interface elements to play/pause and set the speed of
the animation.
**Example**
To set up a QtTrajectoryViewer you have to add renderers to the
scene, set the number of frames present in the animation by calling
;py:meth:`~chemlab.graphics.QtTrajectoryViewer.set_ticks` and
define an update function.
Below is an example taken from the function
:py:func:`chemlab.graphics.display_trajectory`::
from chemlab.graphics import QtTrajectoryViewer
# sys = some System
# coords_list = some list of atomic coordinates
v = QtTrajectoryViewer()
sr = v.add_renderer(AtomRenderer, sys.r_array, sys.type_array,
backend='impostors')
br = v.add_renderer(BoxRenderer, sys.box_vectors)
v.set_ticks(len(coords_list))
@v.update_function
def on_update(index):
sr.update_positions(coords_list[index])
br.update(sys.box_vectors)
v.set_text(format_time(times[index]))
v.widget.repaint()
v.run()
.. warning:: Use with caution, the API for this element is not
fully stabilized and may be subject to change.
"""
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)
def set_ticks(self, number):
'''Set the number of frames to animate.
'''
self.max_index = number
self.current_index = 0
self.slider.setMaximum(self.max_index-1)
self.slider.setMinimum(0)
self.slider.setPageStep(1)
def set_text(self, text):
'''Update the time indicator in the interface.'''
self.timelabel.setText(self._label_tmp.format(text))
def on_play(self):
if self.current_index == self.max_index - 1:
# Restart
self.current_index = 0
self._timer.start(self.speed)
def do_update(self):
if self.current_index >= self.max_index:
self.current_index = self.max_index - 1
self._timer.stop()
self.play_stop.set_pause()
else:
self.current_index += 1
self.slider.setSliderPosition(self.current_index)
def on_pause(self):
self._timer.stop()
def on_slider_change(self, value):
#print 'Slider moved', value
self.current_index = value
self._update_function(self.current_index)
def on_slider_down(self):
self._timer.stop()
self.play_stop.set_pause()
def on_speed_changed(self, index):
self.speed = self.speeds[index]
if self._timer.isActive():
self._timer.stop()
self._timer.start(self.speed)
def add_renderer(self, klass, *args, **kwargs):
'''The behaviour of this function is the same as
:py:meth:`chemlab.graphics.QtViewer.add_renderer`.
'''
renderer = klass(self.widget, *args, **kwargs)
self.widget.renderers.append(renderer)
return renderer
def add_ui(self, klass, *args, **kwargs):
'''Add an UI element for the current scene. The approach is
the same as renderers.
.. warning:: The UI api is not yet finalized
'''
ui = klass(self.widget, *args, **kwargs)
self.widget.uis.append(ui)
return ui
def add_post_processing(self, klass, *args, **kwargs):
pp = klass(self.widget, *args, **kwargs)
self.widget.post_processing.append(pp)
return pp
def run(self):
app.exec_()
def update_function(self, func):
'''Set the function to be called when it's time to display a frame.
*func* should be a function that takes one integer argument that
represents the frame that has to be played::
def func(index):
# Update the renderers to match the
# current animation index
'''
self._update_function = func
def _toggle_settings(self):
self._settings_pan.setVisible(not self._settings_pan.isVisible())
class QtTrajectoryViewer(QMainWindow):
"""Bases: `PySide.QtGui.QMainWindow`
Interface for viewing trajectory.
It provides interface elements to play/pause and set the speed of
the animation.
**Example**
To set up a QtTrajectoryViewer you have to add renderers to the
scene, set the number of frames present in the animation by calling
;py:meth:`~chemlab.graphics.QtTrajectoryViewer.set_ticks` and
define an update function.
Below is an example taken from the function
:py:func:`chemlab.graphics.display_trajectory`::
from chemlab.graphics import QtTrajectoryViewer
# sys = some System
# coords_list = some list of atomic coordinates
v = QtTrajectoryViewer()
sr = v.add_renderer(AtomRenderer, sys.r_array, sys.type_array,
backend='impostors')
br = v.add_renderer(BoxRenderer, sys.box_vectors)
v.set_ticks(len(coords_list))
@v.update_function
def on_update(index):
sr.update_positions(coords_list[index])
br.update(sys.box_vectors)
v.set_text(format_time(times[index]))
v.widget.repaint()
v.run()
.. warning:: Use with caution, the API for this element is not
fully stabilized and may be subject to change.
"""
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 set_ticks(self, number):
self.traj_controls.set_ticks(number)
def set_text(self, text):
'''Update the time indicator in the interface.
'''
self.traj_controls.timelabel.setText(self.traj_controls._label_tmp.format(text))
def on_frame_changed(self, index):
self._update_function(index)
def on_pause(self):
self._timer.stop()
def on_slider_change(self, value):
self.current_index = value
self._update_function(self.current_index)
def on_slider_down(self):
self._timer.stop()
self.play_stop.set_pause()
def on_speed_changed(self, index):
self.speed = self.speeds[index]
if self._timer.isActive():
self._timer.stop()
self._timer.start(self.speed)
def add_renderer(self, klass, *args, **kwargs):
'''The behaviour of this function is the same as
:py:meth:`chemlab.graphics.QtViewer.add_renderer`.
'''
renderer = klass(self.widget, *args, **kwargs)
self.widget.renderers.append(renderer)
return renderer
def add_ui(self, klass, *args, **kwargs):
'''Add an UI element for the current scene. The approach is
the same as renderers.
.. warning:: The UI api is not yet finalized
'''
ui = klass(self.widget, *args, **kwargs)
self.widget.uis.append(ui)
return ui
def add_post_processing(self, klass, *args, **kwargs):
pp = klass(self.widget, *args, **kwargs)
self.widget.post_processing.append(pp)
return pp
def run(self):
app.exec_()
def update_function(self, func, frames=None):
'''Set the function to be called when it's time to display a frame.
*func* should be a function that takes one integer argument that
represents the frame that has to be played::
def func(index):
# Update the renderers to match the
# current animation index
'''
# Back-compatibility
if frames is not None:
self.traj_controls.set_ticks(frames)
self._update_function = func
def _toggle_settings(self):
self._settings_pan.setVisible(not self._settings_pan.isVisible())
class QtTrajectoryViewer(QMainWindow):
"""Bases: `PySide.QtGui.QMainWindow`
Interface for viewing trajectory.
It provides interface elements to play/pause and set the speed of
the animation.
**Example**
To set up a QtTrajectoryViewer you have to add renderers to the
scene, set the number of frames present in the animation by calling
;py:meth:`~chemlab.graphics.QtTrajectoryViewer.set_ticks` and
define an update function.
Below is an example taken from the function
:py:func:`chemlab.graphics.display_trajectory`::
from chemlab.graphics import QtTrajectoryViewer
# sys = some System
# coords_list = some list of atomic coordinates
v = QtTrajectoryViewer()
sr = v.add_renderer(AtomRenderer, sys.r_array, sys.type_array,
backend='impostors')
br = v.add_renderer(BoxRenderer, sys.box_vectors)
v.set_ticks(len(coords_list))
@v.update_function
def on_update(index):
sr.update_positions(coords_list[index])
br.update(sys.box_vectors)
v.set_text(format_time(times[index]))
v.widget.repaint()
v.run()
.. warning:: Use with caution, the API for this element is not
fully stabilized and may be subject to change.
"""
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)
def set_ticks(self, number):
'''Set the number of frames to animate.
'''
self.max_index = number
self.current_index = 0
self.slider.setMaximum(self.max_index - 1)
self.slider.setMinimum(0)
self.slider.setPageStep(1)
def set_text(self, text):
'''Update the time indicator in the interface.'''
self.timelabel.setText(self._label_tmp.format(text))
def on_play(self):
if self.current_index == self.max_index - 1:
# Restart
self.current_index = 0
self._timer.start(self.speed)
def do_update(self):
if self.current_index >= self.max_index:
self.current_index = self.max_index - 1
self._timer.stop()
self.play_stop.set_pause()
else:
self.current_index += 1
self.slider.setSliderPosition(self.current_index)
def on_pause(self):
self._timer.stop()
def on_slider_change(self, value):
#print 'Slider moved', value
self.current_index = value
self._update_function(self.current_index)
def on_slider_down(self):
self._timer.stop()
self.play_stop.set_pause()
def on_speed_changed(self, index):
self.speed = self.speeds[index]
if self._timer.isActive():
self._timer.stop()
self._timer.start(self.speed)
def add_renderer(self, klass, *args, **kwargs):
'''The behaviour of this function is the same as
:py:meth:`chemlab.graphics.QtViewer.add_renderer`.
'''
renderer = klass(self.widget, *args, **kwargs)
self.widget.renderers.append(renderer)
return renderer
def add_ui(self, klass, *args, **kwargs):
'''Add an UI element for the current scene. The approach is
the same as renderers.
.. warning:: The UI api is not yet finalized
'''
ui = klass(self.widget, *args, **kwargs)
self.widget.uis.append(ui)
return ui
def add_post_processing(self, klass, *args, **kwargs):
pp = klass(self.widget, *args, **kwargs)
self.widget.post_processing.append(pp)
return pp
def run(self):
app.exec_()
def update_function(self, func):
'''Set the function to be called when it's time to display a frame.
*func* should be a function that takes one integer argument that
represents the frame that has to be played::
def func(index):
# Update the renderers to match the
# current animation index
'''
self._update_function = func
def _toggle_settings(self):
self._settings_pan.setVisible(not self._settings_pan.isVisible())
