def __init__(self):
QMainWindow.__init__(self)
self.ui = Ui_MainWindow()
self.ui.setupUi(self)
self.console = Console()
if platform.system() == "Darwin":
self.ui.menubar.setParent(None) # Show menu on mac
self.bookmarks = Movie()
stereoActionGroup = QActionGroup(self)
stereoActionGroup.addAction(self.ui.actionMono_None)
stereoActionGroup.addAction(self.ui.actionRight_Left_cross_eye)
stereoActionGroup.addAction(self.ui.actionLeft_Right_parallel)
stereoActionGroup.addAction(self.ui.actionLeft_eye_view)
stereoActionGroup.addAction(self.ui.actionRight_eye_view)
stereoActionGroup.addAction(self.ui.actionRed_Cyan_anaglyph)
stereoActionGroup.addAction(self.ui.actionGreen_Magenta_anaglyph)
stereoActionGroup.addAction(self.ui.actionQuadro_120_Hz)
stereoActionGroup.addAction(self.ui.actionRow_interleaved)
stereoActionGroup.addAction(self.ui.actionColumn_interleaved)
stereoActionGroup.addAction(self.ui.actionChecker_interleaved)
# representations
repActionGroup = QActionGroup(self)
repActionGroup.addAction(self.ui.actionBackbone)
repActionGroup.addAction(self.ui.actionBall_Stick)
repActionGroup.addAction(self.ui.actionSpacefill)
repActionGroup.addAction(self.ui.actionSticks)
repActionGroup.addAction(self.ui.actionWireframe)
# size dialog
self.size_dialog = SizeDialog(self)
self.size_dialog.size_changed.connect(self.resize_canvas)
self.size_dialog.ui.comboBox.activated[str].connect(self.parse_size_box_string)
# print QImageWriter.supportedImageFormats()
self.atom_size_dialog = AtomSizeDialog(self)
self.atom_size_dialog.value_changed.connect(self.set_atom_scale)
self.recent_files = recent_file.RecentFileList(self.load_pdb_file, "input_pdb_files", self.ui.menuLoad_recent)
self.setAcceptDrops(True)
class MainWindow(QMainWindow):
def __init__(self):
QMainWindow.__init__(self)
self.ui = Ui_MainWindow()
self.ui.setupUi(self)
self.console = Console()
if platform.system() == "Darwin":
self.ui.menubar.setParent(None) # Show menu on mac
self.bookmarks = Movie()
stereoActionGroup = QActionGroup(self)
stereoActionGroup.addAction(self.ui.actionMono_None)
stereoActionGroup.addAction(self.ui.actionRight_Left_cross_eye)
stereoActionGroup.addAction(self.ui.actionLeft_Right_parallel)
stereoActionGroup.addAction(self.ui.actionLeft_eye_view)
stereoActionGroup.addAction(self.ui.actionRight_eye_view)
stereoActionGroup.addAction(self.ui.actionRed_Cyan_anaglyph)
stereoActionGroup.addAction(self.ui.actionGreen_Magenta_anaglyph)
stereoActionGroup.addAction(self.ui.actionQuadro_120_Hz)
stereoActionGroup.addAction(self.ui.actionRow_interleaved)
stereoActionGroup.addAction(self.ui.actionColumn_interleaved)
stereoActionGroup.addAction(self.ui.actionChecker_interleaved)
# representations
repActionGroup = QActionGroup(self)
repActionGroup.addAction(self.ui.actionBackbone)
repActionGroup.addAction(self.ui.actionBall_Stick)
repActionGroup.addAction(self.ui.actionSpacefill)
repActionGroup.addAction(self.ui.actionSticks)
repActionGroup.addAction(self.ui.actionWireframe)
# size dialog
self.size_dialog = SizeDialog(self)
self.size_dialog.size_changed.connect(self.resize_canvas)
self.size_dialog.ui.comboBox.activated[str].connect(self.parse_size_box_string)
# print QImageWriter.supportedImageFormats()
self.atom_size_dialog = AtomSizeDialog(self)
self.atom_size_dialog.value_changed.connect(self.set_atom_scale)
self.recent_files = recent_file.RecentFileList(self.load_pdb_file, "input_pdb_files", self.ui.menuLoad_recent)
self.setAcceptDrops(True)
def closeEvent(self, event):
self.console.close()
QMainWindow.closeEvent(self, event)
def dragEnterEvent(self, event):
if event.mimeData().hasUrls():
event.accept()
else:
event.ignore()
def dropEvent(self, event):
for url in event.mimeData().urls():
s = url.toString()
self.load_pdb_file(s)
@property
def camera(self):
return self.ui.glCanvas.renderer.camera_position
@QtCore.Slot(float)
def set_atom_scale(self, s):
cinemol_globals.atom_scale = s
self.ui.glCanvas.update()
@QtCore.Slot(bool)
def on_actionReset_center_triggered(self, checked):
command.center("*")
command.refresh()
@QtCore.Slot(bool)
def on_actionAtom_size_triggered(self, checked):
dialog = self.atom_size_dialog
old_scale = dialog.value()
dialog.exec_()
if dialog.result() == QDialog.Accepted:
pass # keep this size
else:
dialog.set_value(old_scale)
@QtCore.Slot(bool)
def on_actionShow_console_triggered(self, checked):
self.console.setVisible(checked)
### BEGIN REPRESENTATIONS ###
def set_rep_command(self, rep_command):
# If nothing is selected, select everything
if len(model.selected_atoms) < 1:
command.select("*")
# Turn off other representations
for rep in (command.backbone, command.ball_and_stick, command.spacefill, command.sticks, command.wireframe):
if rep is not rep_command:
rep(False)
rep_command(True)
command.refresh()
@QtCore.Slot(bool)
def on_actionBackbone_triggered(self, checked):
self.set_rep_command(command.backbone)
@QtCore.Slot(bool)
def on_actionBall_Stick_triggered(self, checked):
self.set_rep_command(command.ball_and_stick)
@QtCore.Slot(bool)
def on_actionSpacefill_triggered(self, checked):
self.set_rep_command(command.spacefill)
@QtCore.Slot(bool)
def on_actionWireframe_triggered(self, checked):
self.set_rep_command(command.wireframe)
@QtCore.Slot(bool)
def on_actionSticks_triggered(self, checked):
self.set_rep_command(command.sticks)
### END REPRESENTATIONS ###
@QtCore.Slot(bool)
def on_actionLoad_movie_script_triggered(self, checked):
self.bookmarks.clear()
file_name = QFileDialog.getOpenFileName(
self, "Open movie script file", None, self.tr("XML files (*.xml)") # TODO directory
)[0]
if file_name == "":
return
print file_name
script_file = QFile(file_name)
if script_file.open(QIODevice.ReadOnly):
reader = QXmlStreamReader(script_file)
while (not reader.atEnd()) and (not reader.hasError()):
token = reader.readNext()
if token == QXmlStreamReader.StartElement:
if reader.name() == "cinemol_movie_script":
self.bookmarks.read_xml(reader)
if reader.hasError():
print "Error reading xml file"
else:
self.statusBar().showMessage("Loaded movie script file" + file_name, 5000)
script_file.close()
@QtCore.Slot(bool)
def on_actionSave_movie_script_triggered(self, checked):
if len(self.bookmarks) < 1:
QMessageBox.warning(
self,
"No key frames found",
"""You must create some bookmarks(key frames)
before you can save a movie script.""",
)
return
file_name = QFileDialog.getSaveFileName(self, "Save movie script file", None, self.tr("XML files (*.xml)"))[0]
if file_name == "":
return
script_file = QFile(file_name)
if script_file.open(QIODevice.WriteOnly):
writer = QXmlStreamWriter(script_file)
writer.setAutoFormatting(True)
writer.setAutoFormattingIndent(2)
writer.writeStartDocument()
self.bookmarks.write_xml(writer)
writer.writeEndDocument()
script_file.close()
self.statusBar().showMessage("Saved movie script file" + file_name, 5000)
@QtCore.Slot(bool)
def on_actionMeasure_fps_triggered(self, checked):
self.ui.glCanvas.renderer.restart_fps()
for frame in self.bookmarks.play(real_time=False):
self.camera.state = frame.camera_state
# self.ui.glCanvas.update()
self.ui.glCanvas.repaint()
# QCoreApplication.processEvents() # To avoid locking up the application
fps = self.ui.glCanvas.renderer.fps()
self.statusBar().showMessage("Frames per second = %f" % fps, 0)
@QtCore.Slot(bool)
def on_actionQuit_triggered(self, checked):
self.close()
@QtCore.Slot(int, int)
def resize_canvas(self, w, h):
dx = w - self.ui.glCanvas.width()
dy = h - self.ui.glCanvas.height()
x2 = self.width() + dx
y2 = self.height() + dy
self.resize(x2, y2)
@QtCore.Slot(str)
def parse_size_box_string(self, value):
match = re.search("(\d+)x(\d+)", value)
if match:
w = int(match.group(1))
h = int(match.group(2))
self.size_dialog.ui.widthBox.setValue(w)
self.size_dialog.ui.heightBox.setValue(h)
@QtCore.Slot(bool)
def on_actionPlay_movie_triggered(self, checked):
for frame in self.bookmarks.play(real_time=True):
self.camera.state = frame.camera_state
self.statusBar().showMessage(
"Bookmark " + str(frame.key_frame_number) + "; movie frame " + str(frame.frame_number), 500
)
self.ui.glCanvas.update()
self.statusBar().showMessage("Finished playing movie", 1000)
@QtCore.Slot(bool)
def on_actionAdd_new_bookmark_triggered(self, checked):
self.bookmarks.append(KeyFrame(self.camera.state))
self.statusBar().showMessage("Added bookmark number " + str(self.bookmarks.current_key_frame_index + 1), 4000)
@QtCore.Slot(bool)
def on_actionGo_to_previous_bookmark_triggered(self, checked):
if len(self.bookmarks) < 1:
return
self.bookmarks.decrement()
self.camera.state = self.bookmarks.current_key_frame.camera_state
self.ui.glCanvas.update()
self.statusBar().showMessage("Back to bookmark " + str(self.bookmarks.current_key_frame_index + 1), 1000)
@QtCore.Slot(bool)
def on_actionGo_to_next_bookmark_triggered(self, checked):
if len(self.bookmarks) < 1:
return
self.bookmarks.increment()
self.camera.state = self.bookmarks.current_key_frame.camera_state
self.ui.glCanvas.update()
self.statusBar().showMessage("Forward to bookmark " + str(self.bookmarks.current_key_frame_index + 1), 1000)
@QtCore.Slot(bool)
def on_actionClear_all_bookmarks_triggered(self, checked):
self.bookmarks.clear()
self.statusBar().showMessage("All bookmarks deleted!", 5000)
@QtCore.Slot(bool)
def on_actionSet_size_triggered(self, checked):
old_size = self.ui.glCanvas.size()
dialog = self.size_dialog
dialog.blockSignals(True)
dialog.ui.widthBox.setValue(old_size.width())
dialog.ui.heightBox.setValue(old_size.height())
dialog.blockSignals(False)
dialog.exec_()
if dialog.result() == QDialog.Accepted:
pass # keep this size
# print "Accepted"
else:
self.resize_canvas(old_size.width(), old_size.height())
@QtCore.Slot(bool)
def on_actionSave_movie_triggered(self, checked):
if len(self.bookmarks) < 1:
QMessageBox.warning(
self,
"No key frames found",
"""You must create some bookmarks(key frames)
before you can save a movie.""",
)
return
base_file_name = QFileDialog.getSaveFileName(
self,
"Save movie frame images",
None,
# PNG format silently does not work
self.tr("images(*.ppm *.tif *.jpg)"),
)[0]
if base_file_name == "":
return
frame_number = 0
froot, fext = os.path.splitext(base_file_name)
for frame in self.bookmarks.play(real_time=False):
num_string = "_%05d" % (frame_number + 1)
file_name = froot + num_string + fext
self.camera.state = frame.camera_state
# TODO - potential OpenGL thread problems
self.ui.glCanvas.update()
self.ui.glCanvas.repaint()
QCoreApplication.processEvents() # To avoid locking up the application
image = self.ui.glCanvas.grabFrameBuffer()
self.statusBar().showMessage("Saving frame " + file_name, 500)
image.save(file_name)
frame_number += 1
self.statusBar().showMessage("Done saving movie frames.", 5000)
@QtCore.Slot(bool)
def on_actionSave_Lenticular_Series_triggered(self, checked):
file_name = QFileDialog.getSaveFileName(
self,
"Save lenticular series",
None,
# PNG format silently does not work
self.tr("images(*.tif)"),
)[0]
if file_name == "":
return
self.ui.glCanvas.save_lenticular_series(file_name=file_name, angle=15.0 * pi / 180.0, count=18)
self.statusBar().showMessage("Done saving lenticular series.", 5000)
def set_stereo_mode(self, mode, checked):
if checked:
self.ui.glCanvas.renderer.stereo_mode = mode
else:
# Turn off one stereo mode, turn on Mono
self.ui.glCanvas.renderer.stereo_mode = stereo3d.Mono()
self.ui.actionMono_None.setChecked(True)
self.ui.glCanvas.update()
@QtCore.Slot(bool)
def on_actionMono_None_triggered(self, checked):
# If the user clicks on Mono, always use mono, even if it was already checked
self.set_stereo_mode(stereo3d.Mono(), checked)
@QtCore.Slot(bool)
def on_actionRight_Left_cross_eye_triggered(self, checked):
print "right left", checked
self.set_stereo_mode(stereo3d.RightLeft(), checked)
@QtCore.Slot(bool)
def on_actionLeft_Right_parallel_triggered(self, checked):
self.set_stereo_mode(stereo3d.LeftRight(), checked)
@QtCore.Slot(bool)
def on_actionLeft_eye_view_triggered(self, checked):
self.set_stereo_mode(stereo3d.Left(), checked)
@QtCore.Slot(bool)
def on_actionRight_eye_view_triggered(self, checked):
self.set_stereo_mode(stereo3d.Right(), checked)
@QtCore.Slot(bool)
def on_actionRed_Cyan_anaglyph_triggered(self, checked):
self.set_stereo_mode(stereo3d.RedCyan(), checked)
@QtCore.Slot(bool)
def on_actionGreen_Magenta_anaglyph_triggered(self, checked):
self.set_stereo_mode(stereo3d.GreenMagenta(), checked)
@QtCore.Slot(bool)
def on_actionSwap_Eyes_triggered(self, checked):
self.camera.swap_eyes = checked
self.ui.glCanvas.update()
@QtCore.Slot(bool)
def on_actionSave_image_triggered(self, checked):
print "save image"
file_name = QFileDialog.getSaveFileName(
self,
"Save screen shot",
None,
# PNG format silently does not work
self.tr("images(*.jpg *.tif)"),
)[0]
if file_name == "":
return
self.ui.glCanvas.save_image(file_name)
@QtCore.Slot(str)
def load_pdb_file(self, file_name):
try:
self.statusBar().showMessage("Loading PDB file " + file_name + "...", 0)
command.zap()
command.load(file_name)
self.statusBar().showMessage("Finished loading PDB file " + file_name, 2000)
command.refresh()
self.recent_files.add_file(file_name)
except:
self.statusBar().showMessage("Error loading PDB file " + file_name, 2000)
raise
@QtCore.Slot()
def on_actionOpen_triggered(self):
settings = QSettings()
search_dir = None
if settings.contains("pdb_input_dir"):
search_dir = settings.value("pdb_input_dir")
file_name = QFileDialog.getOpenFileName(
self, "Open PDB file", search_dir, self.tr("PDB Files(*.pdb *.pdb.gz)")
)[0]
if file_name == "":
return
try:
self.load_pdb_file(file_name)
# Remember the directory where we found this
pdb_input_dir = QFileInfo(file_name).absoluteDir().canonicalPath()
settings.setValue("pdb_input_dir", pdb_input_dir)
except:
QMessageBox.warning(self, "Problem opening file", file_name)
raise
