예제 #1
0
    def __init__(self, control):
        QtWidgets.QMainWindow.__init__(self, None)

        self.control = control
        self.center = CentralWidget(self)
        self.file_dock = FileTabDock(self)
        self.view_dock = ViewTabDock(self)
        self.view_dock.setVisible(False)
        self.image_video_dock = ImageVideoTabDock(self)
        self.statistics_dock = StatisticsTabDock(self)
        self.log_dock = LogTabDock(self)
        self._error_wrapper = None

        p = self.file_dock.file_tab.progress_dialog
        self.set_output_callbacks(p.progress, p.print_step,
                                  p.calculation_finished, self.show_error,
                                  self.log_dock.append_log)

        self.docks = []

        self.shown_dataset = None

        self.setTabPosition(QtCore.Qt.RightDockWidgetArea,
                            QtWidgets.QTabWidget.North)

        self.setCentralWidget(self.center)

        for dock in (self.file_dock, self.view_dock, self.image_video_dock,
                     self.statistics_dock, self.log_dock):
            self.addDockWidget(QtCore.Qt.RightDockWidgetArea, dock,
                               QtCore.Qt.Vertical)
            self.docks.append(dock)

        for dock in (self.view_dock, self.statistics_dock):
            self.tabifyDockWidget(self.file_dock, dock)

        # this variable is used to open the FileDialog in the propper path
        self.file_dock.file_tab.most_recent_path = "~"

        self.menubar = None
        self.file_menu = None
        self.recent_files_submenu = None
        self.init_menu()

        self.setWindowTitle('pyMolDyn v%s' % __version__)
        self.setWindowIcon(QtGui.QIcon('icon.png'))

        self.show()
        # get Dock Widgets TabBar and set the first one to current
        self.file_dock.show()
        self.file_dock.raise_()
예제 #2
0
    def __init__(self, control):
        QtWidgets.QMainWindow.__init__(self, None)

        self.control = control
        self.center = CentralWidget(self)
        self.file_dock = FileTabDock(self)
        self.view_dock = ViewTabDock(self)
        self.view_dock.setVisible(False)
        self.image_video_dock = ImageVideoTabDock(self)
        self.statistics_dock = StatisticsTabDock(self)
        self.log_dock = LogTabDock(self)
        self._error_wrapper = None

        p = self.file_dock.file_tab.progress_dialog
        self.set_output_callbacks(p.progress, p.print_step, p.calculation_finished,
                                  self.show_error, self.log_dock.append_log)

        self.docks = []

        self.shown_dataset = None

        self.setTabPosition(QtCore.Qt.RightDockWidgetArea, QtWidgets.QTabWidget.North)

        self.setCentralWidget(self.center)

        for dock in (self.file_dock, self.view_dock, self.image_video_dock, self.statistics_dock, self.log_dock):
            self.addDockWidget(QtCore.Qt.RightDockWidgetArea,
                               dock, QtCore.Qt.Vertical)
            self.docks.append(dock)

        for dock in (self.view_dock, self.statistics_dock):
            self.tabifyDockWidget(self.file_dock, dock)

        # this variable is used to open the FileDialog in the propper path
        self.file_dock.file_tab.most_recent_path = "~"

        self.menubar = None
        self.file_menu = None
        self.recent_files_submenu = None
        self.init_menu()

        self.setWindowTitle('pyMolDyn v%s' % __version__)
        self.setWindowIcon(QtGui.QIcon('icon.png'))

        self.show()
        # get Dock Widgets TabBar and set the first one to current
        self.file_dock.show()
        self.file_dock.raise_()
예제 #3
0
class MainWindow(QtWidgets.QMainWindow):
    def __init__(self, control):
        QtWidgets.QMainWindow.__init__(self, None)

        self.control = control
        self.center = CentralWidget(self)
        self.file_dock = FileTabDock(self)
        self.view_dock = ViewTabDock(self)
        self.view_dock.setVisible(False)
        self.image_video_dock = ImageVideoTabDock(self)
        self.statistics_dock = StatisticsTabDock(self)
        self.log_dock = LogTabDock(self)
        self._error_wrapper = None

        p = self.file_dock.file_tab.progress_dialog
        self.set_output_callbacks(p.progress, p.print_step, p.calculation_finished,
                                  self.show_error, self.log_dock.append_log)

        self.docks = []

        self.shown_dataset = None

        self.setTabPosition(QtCore.Qt.RightDockWidgetArea, QtWidgets.QTabWidget.North)

        self.setCentralWidget(self.center)

        for dock in (self.file_dock, self.view_dock, self.image_video_dock, self.statistics_dock, self.log_dock):
            self.addDockWidget(QtCore.Qt.RightDockWidgetArea,
                               dock, QtCore.Qt.Vertical)
            self.docks.append(dock)

        for dock in (self.view_dock, self.statistics_dock):
            self.tabifyDockWidget(self.file_dock, dock)

        # this variable is used to open the FileDialog in the propper path
        self.file_dock.file_tab.most_recent_path = "~"

        self.menubar = None
        self.file_menu = None
        self.recent_files_submenu = None
        self.init_menu()

        self.setWindowTitle('pyMolDyn v%s' % __version__)
        self.setWindowIcon(QtGui.QIcon('icon.png'))

        self.show()
        # get Dock Widgets TabBar and set the first one to current
        self.file_dock.show()
        self.file_dock.raise_()

        # another workaround to do the same
        # tabbars = self.findChildren(QtWidgets.QTabBar)
        # tabbars[0].setCurrentIndex(0)

    def init_menu(self):
        open_action = QtWidgets.QAction('&Open dataset', self)
        open_action.setShortcut('Ctrl+O')
        open_action.triggered.connect(self.file_dock.file_tab.open_file_dialog)

        settings_action = QtWidgets.QAction('&Settings', self)
        settings_action.setShortcut('Ctrl+I')
        settings_action.triggered.connect(self.show_settings)

        export_submenu = QtWidgets.QMenu("&Export", self)

        export_bonds_action = QtWidgets.QAction('Export &Bonds', self)
        export_bonds_action.setShortcut('Ctrl+1')
        export_bonds_action.triggered.connect(self.wrapper_export_bonds)

        export_bond_angles_action = QtWidgets.QAction('Export Bond &Angles', self)
        export_bond_angles_action.setShortcut('Ctrl+2')
        export_bond_angles_action.triggered.connect(self.wrapper_export_bond_angles)

        export_bond_dihedral_angles_action = QtWidgets.QAction('Export Bond &Dihedral Angles', self)
        export_bond_dihedral_angles_action.setShortcut('Ctrl+3')
        export_bond_dihedral_angles_action.triggered.connect(self.wrapper_export_bond_dihedral_angles)

        export_domains_action = QtWidgets.QAction('Export Cavity Information (domains)', self)
        export_domains_action.setShortcut('Ctrl+4')
        export_domains_action.triggered.connect(self.wrapper_export_domains)

        export_surface_cavities_action = QtWidgets.QAction('Export Cavity Information (surface method)', self)
        export_surface_cavities_action.setShortcut('Ctrl+5')
        export_surface_cavities_action.triggered.connect(self.wrapper_export_surface_cavities)

        export_center_cavities_action = QtWidgets.QAction('Export Cavity Information (center method)', self)
        export_center_cavities_action.setShortcut('Ctrl+6')
        export_center_cavities_action.triggered.connect(self.wrapper_export_center_cavities)

        website_action = QtWidgets.QAction('&pyMolDyn website', self)
        website_action.setShortcut('F1')
        website_action.triggered.connect(self.show_website)

        about_action = QtWidgets.QAction('&About', self)
        about_action.triggered.connect(self.show_about_box)

        self.menubar = self.menuBar()
        self.file_menu = self.menubar.addMenu('&File')
        self.file_menu.addAction(open_action)
        self.file_menu.addAction(settings_action)
        self.file_menu.addMenu(export_submenu)

        self.init_submenu_recent_files()
        self.file_menu.addMenu(self.recent_files_submenu)

        export_submenu.addAction(export_bonds_action)
        export_submenu.addAction(export_bond_angles_action)
        export_submenu.addAction(export_bond_dihedral_angles_action)
        export_submenu.addAction(export_domains_action)
        export_submenu.addAction(export_surface_cavities_action)
        export_submenu.addAction(export_center_cavities_action)

        help_menu = self.menubar.addMenu('&Help')
        help_menu.addAction(website_action)
        help_menu.addSeparator()
        help_menu.addAction(about_action)

    def show_error(self, error_message):
        QtCore.QMetaObject.invokeMethod(self, '_show_error', QtCore.Qt.QueuedConnection,
                                        QtCore.Q_ARG(str, error_message))

    @QtCore.pyqtSlot(str)
    def _show_error(self, error_message):
        QtWidgets.QMessageBox.information(self, 'Information', error_message)

    def show_settings(self):
        SettingsDialog()
        self.control.update()
        self.statistics_dock.update_results(self.control.visualization.results)

    def show_website(self):
        url = QtCore.QUrl(WEBSITE_URL)
        QtGui.QDesktopServices.openUrl(url)

    def show_about_box(self):
        AboutDialog(self, 'pyMolDyn is a molecule viewer which is capable of computing molecular cavities.',
                    (('Florian Rhiem', '*****@*****.**'),
                     ('Fabian Beule', '*****@*****.**'),
                     ('David Knodt', '*****@*****.**'),
                     ('Ingo Heimbach', '*****@*****.**'),
                     ('Florian Macherey', '*****@*****.**'))).show()

    def init_submenu_recent_files(self):
        self.recent_files_submenu = QtWidgets.QMenu("&Recent files", self)
        if (not config.recent_files) or (config.recent_files == ['']):
            self.recent_files_submenu.setDisabled(True)
        else:
            self.recent_files_submenu.setEnabled(True)
            for f in config.recent_files:
                f_action = QtWidgets.QAction(f, self)
                f_action.triggered.connect(functools.partial(self.wrapper_recent_files, f))
                self.recent_files_submenu.addAction(f_action)

            self.file_dock.file_tab.most_recent_path = os.path.dirname(config.recent_files[0])
            self._submenu_add_shortcut_for_first_item()

    def update_submenu_recent_files(self):
        if not config.recent_files:
            return

        most_recent_file = config.recent_files[0]
        if not most_recent_file:
            return

        actions_in_menu = self.recent_files_submenu.actions()
        actions_in_menu_str = [s.text() for s in actions_in_menu]

        if most_recent_file in actions_in_menu_str:
            index = actions_in_menu_str.index(most_recent_file)
            if index == 0:
                return

            self.recent_files_submenu.removeAction(actions_in_menu[index])
            self.recent_files_submenu.insertAction(actions_in_menu[0], actions_in_menu[index])
        else:
            new_action = QtWidgets.QAction(most_recent_file, self)
            new_action.triggered.connect(functools.partial(self.wrapper_recent_files, most_recent_file))

            if not actions_in_menu:
                self.recent_files_submenu.setEnabled(True)
                self.recent_files_submenu.addAction(new_action)
            else:
                self.recent_files_submenu.insertAction(actions_in_menu[0], new_action)
                self.recent_files_submenu.actions()[0].setDisabled(True)

                if len(actions_in_menu) == 5:
                    self.recent_files_submenu.removeAction(actions_in_menu[4])

        self.file_dock.file_tab.most_recent_path = os.path.dirname(most_recent_file)
        self._submenu_add_shortcut_for_first_item()
        self.recent_files_submenu.update()

    def _submenu_add_shortcut_for_first_item(self):
        actions_in_menu = self.recent_files_submenu.actions()
        actions_in_menu[0].setShortcut('Alt+1')
        for action in actions_in_menu[1:]:
            action.setShortcut('')
        self.recent_files_submenu.update()

    def wrapper_recent_files(self, f):
        if f:
            self.file_dock.file_tab.disable_files_in_menu_and_open(f)
            self.update_submenu_recent_files()

    def wrapper_export_bonds(self):
        filename = QtWidgets.QFileDialog.getSaveFileName(self, "Export Bonds", "bonds.txt")[0]
        if filename:
            core.bonds.export_bonds(filename, self.control.visualization.results.atoms)
            QtWidgets.QMessageBox.information(self,
                                          'Export Bonds',
                                          "Saved to filename: %s" % (filename))

    def wrapper_export_bond_angles(self):
        filename = QtWidgets.QFileDialog.getSaveFileName(self, "Export Bond Angles", "bond_angles.txt")[0]
        if filename:
            core.bonds.export_bond_angles(filename, self.control.visualization.results.atoms)
            QtWidgets.QMessageBox.information(self,
                                          'Export Bond Angles',
                                          "Saved to filename: %s" % (filename))

    def wrapper_export_bond_dihedral_angles(self):
        filename = QtWidgets.QFileDialog.getSaveFileName(self, "Export Bond Dihedral Angles",
                                                         "bond_dihedral_angles.txt")[0]
        if filename:
            core.bonds.export_bond_dihedral_angles(filename, self.control.visualization.results.atoms)
            QtWidgets.QMessageBox.information(self,
                                          'Export Bond Dihedral Angles',
                                          "Saved to filename: %s" % (filename))

    def wrapper_export_domains(self):
        filename = QtWidgets.QFileDialog.getSaveFileName(self, "Export Cavity Information (domains)", "domains")[0]
        if filename:
            filenames = self.control.visualization.results.domains.totxt(filename + '_{property}.txt')
            QtWidgets.QMessageBox.information(self,
                                          'Export Cavity Information (domains)',
                                          "Saved to filenames: %s" % (', '.join(filenames)))

    def wrapper_export_surface_cavities(self):
        filename = QtWidgets.QFileDialog.getSaveFileName(self, "Export Cavity Information (surface method)",
                                                         "surface_cavities")[0]
        if filename:
            filenames = self.control.visualization.results.surface_cavities.totxt(filename + '_{property}.txt')
            QtWidgets.QMessageBox.information(self,
                                          'Export Cavity Information (surface method)',
                                          "Saved to filenames: %s" % (', '.join(filenames)))

    def wrapper_export_center_cavities(self):
        filename = QtWidgets.QFileDialog.getSaveFileName(self, "Export Cavity Information (center method)",
                                                         "center_cavities")[0]
        if filename:
            filenames = self.control.visualization.results.center_cavities.totxt(filename + '_{property}.txt')
            QtWidgets.QMessageBox.information(self,
                                          'Export Cavity Information (center method)',
                                          "Saved to filenames: %s" % (', '.join(filenames)))

    def keyPressEvent(self, e):
        if e.key() == QtCore.Qt.Key_M:
            if not self.isFullScreen():
                for dock in self.docks:
                    dock.hide()
                self.showFullScreen()
            else:
                for dock in self.docks:
                    dock.show()
                self.showNormal()

    def set_output_callbacks(self, progress_func, print_func, finish_func, error_func, log_func):
        message.set_output_callbacks(progress_func, print_func, finish_func, error_func, log_func)

    def updatestatus(self, was_successful=lambda : True):
        if was_successful and self.control.results is not None:
            results = self.control.results[-1][-1]
            self.shown_dataset = results
            visualization_settings = self.control.visualization.settings
            status = results.description(domain_volume=visualization_settings.show_domains, surface_cavity_volume=visualization_settings.show_surface_cavities, center_cavity_volume=visualization_settings.show_center_cavities)
            self.statusBar().showMessage(status)
            self.statistics_dock.update_results(self.control.visualization.results)
            self.view_dock.setVisible(True)
            self.view_dock.view_tab.update_cavity_buttons(self.control.visualization.results, None)
            self.center.gl_stack.updatestatus()
            QtWidgets.QApplication.postEvent(self.center.gl_stack.gl_widget, UpdateGLEvent())
예제 #4
0
class MainWindow(QtWidgets.QMainWindow):
    def __init__(self, control):
        QtWidgets.QMainWindow.__init__(self, None)

        self.control = control
        self.center = CentralWidget(self)
        self.file_dock = FileTabDock(self)
        self.view_dock = ViewTabDock(self)
        self.view_dock.setVisible(False)
        self.image_video_dock = ImageVideoTabDock(self)
        self.statistics_dock = StatisticsTabDock(self)
        self.log_dock = LogTabDock(self)
        self._error_wrapper = None

        p = self.file_dock.file_tab.progress_dialog
        self.set_output_callbacks(p.progress, p.print_step,
                                  p.calculation_finished, self.show_error,
                                  self.log_dock.append_log)

        self.docks = []

        self.shown_dataset = None

        self.setTabPosition(QtCore.Qt.RightDockWidgetArea,
                            QtWidgets.QTabWidget.North)

        self.setCentralWidget(self.center)

        for dock in (self.file_dock, self.view_dock, self.image_video_dock,
                     self.statistics_dock, self.log_dock):
            self.addDockWidget(QtCore.Qt.RightDockWidgetArea, dock,
                               QtCore.Qt.Vertical)
            self.docks.append(dock)

        for dock in (self.view_dock, self.statistics_dock):
            self.tabifyDockWidget(self.file_dock, dock)

        # this variable is used to open the FileDialog in the propper path
        self.file_dock.file_tab.most_recent_path = "~"

        self.menubar = None
        self.file_menu = None
        self.recent_files_submenu = None
        self.init_menu()

        self.setWindowTitle('pyMolDyn v%s' % __version__)
        self.setWindowIcon(QtGui.QIcon('icon.png'))

        self.show()
        # get Dock Widgets TabBar and set the first one to current
        self.file_dock.show()
        self.file_dock.raise_()

        # another workaround to do the same
        # tabbars = self.findChildren(QtWidgets.QTabBar)
        # tabbars[0].setCurrentIndex(0)

    def init_menu(self):
        open_action = QtWidgets.QAction('&Open dataset', self)
        open_action.setShortcut('Ctrl+O')
        open_action.triggered.connect(self.file_dock.file_tab.open_file_dialog)

        settings_action = QtWidgets.QAction('&Settings', self)
        settings_action.setShortcut('Ctrl+I')
        settings_action.triggered.connect(self.show_settings)

        export_submenu = QtWidgets.QMenu("&Export", self)

        export_bonds_action = QtWidgets.QAction('Export &Bonds', self)
        export_bonds_action.setShortcut('Ctrl+1')
        export_bonds_action.triggered.connect(self.wrapper_export_bonds)

        export_bond_angles_action = QtWidgets.QAction('Export Bond &Angles',
                                                      self)
        export_bond_angles_action.setShortcut('Ctrl+2')
        export_bond_angles_action.triggered.connect(
            self.wrapper_export_bond_angles)

        export_bond_dihedral_angles_action = QtWidgets.QAction(
            'Export Bond &Dihedral Angles', self)
        export_bond_dihedral_angles_action.setShortcut('Ctrl+3')
        export_bond_dihedral_angles_action.triggered.connect(
            self.wrapper_export_bond_dihedral_angles)

        export_domains_action = QtWidgets.QAction(
            'Export Cavity Information (domains)', self)
        export_domains_action.setShortcut('Ctrl+4')
        export_domains_action.triggered.connect(self.wrapper_export_domains)

        export_surface_cavities_action = QtWidgets.QAction(
            'Export Cavity Information (surface method)', self)
        export_surface_cavities_action.setShortcut('Ctrl+5')
        export_surface_cavities_action.triggered.connect(
            self.wrapper_export_surface_cavities)

        export_center_cavities_action = QtWidgets.QAction(
            'Export Cavity Information (center method)', self)
        export_center_cavities_action.setShortcut('Ctrl+6')
        export_center_cavities_action.triggered.connect(
            self.wrapper_export_center_cavities)

        website_action = QtWidgets.QAction('&pyMolDyn website', self)
        website_action.setShortcut('F1')
        website_action.triggered.connect(self.show_website)

        about_action = QtWidgets.QAction('&About', self)
        about_action.triggered.connect(self.show_about_box)

        self.menubar = self.menuBar()
        self.file_menu = self.menubar.addMenu('&File')
        self.file_menu.addAction(open_action)
        self.file_menu.addAction(settings_action)
        self.file_menu.addMenu(export_submenu)

        self.init_submenu_recent_files()
        self.file_menu.addMenu(self.recent_files_submenu)

        export_submenu.addAction(export_bonds_action)
        export_submenu.addAction(export_bond_angles_action)
        export_submenu.addAction(export_bond_dihedral_angles_action)
        export_submenu.addAction(export_domains_action)
        export_submenu.addAction(export_surface_cavities_action)
        export_submenu.addAction(export_center_cavities_action)

        help_menu = self.menubar.addMenu('&Help')
        help_menu.addAction(website_action)
        help_menu.addSeparator()
        help_menu.addAction(about_action)

    def show_error(self, error_message):
        QtCore.QMetaObject.invokeMethod(self, '_show_error',
                                        QtCore.Qt.QueuedConnection,
                                        QtCore.Q_ARG(str, error_message))

    @QtCore.pyqtSlot(str)
    def _show_error(self, error_message):
        QtWidgets.QMessageBox.information(self, 'Information', error_message)

    def show_settings(self):
        SettingsDialog()
        self.control.update()
        self.statistics_dock.update_results(self.control.visualization.results)

    def show_website(self):
        url = QtCore.QUrl(WEBSITE_URL)
        QtGui.QDesktopServices.openUrl(url)

    def show_about_box(self):
        AboutDialog(
            self,
            'pyMolDyn is a molecule viewer which is capable of computing molecular cavities.',
            (('Florian Rhiem', '*****@*****.**'),
             ('Fabian Beule', '*****@*****.**'),
             ('David Knodt', '*****@*****.**'),
             ('Ingo Heimbach', '*****@*****.**'),
             ('Florian Macherey', '*****@*****.**'))).show()

    def init_submenu_recent_files(self):
        self.recent_files_submenu = QtWidgets.QMenu("&Recent files", self)
        if (not config.recent_files) or (config.recent_files == ['']):
            self.recent_files_submenu.setDisabled(True)
        else:
            self.recent_files_submenu.setEnabled(True)
            for f in config.recent_files:
                f_action = QtWidgets.QAction(f, self)
                f_action.triggered.connect(
                    functools.partial(self.wrapper_recent_files, f))
                self.recent_files_submenu.addAction(f_action)

            self.file_dock.file_tab.most_recent_path = os.path.dirname(
                config.recent_files[0])
            self._submenu_add_shortcut_for_first_item()

    def update_submenu_recent_files(self):
        if not config.recent_files:
            return

        most_recent_file = config.recent_files[0]
        if not most_recent_file:
            return

        actions_in_menu = self.recent_files_submenu.actions()
        actions_in_menu_str = [s.text() for s in actions_in_menu]

        if most_recent_file in actions_in_menu_str:
            index = actions_in_menu_str.index(most_recent_file)
            if index == 0:
                return

            self.recent_files_submenu.removeAction(actions_in_menu[index])
            self.recent_files_submenu.insertAction(actions_in_menu[0],
                                                   actions_in_menu[index])
        else:
            new_action = QtWidgets.QAction(most_recent_file, self)
            new_action.triggered.connect(
                functools.partial(self.wrapper_recent_files, most_recent_file))

            if not actions_in_menu:
                self.recent_files_submenu.setEnabled(True)
                self.recent_files_submenu.addAction(new_action)
            else:
                self.recent_files_submenu.insertAction(actions_in_menu[0],
                                                       new_action)
                self.recent_files_submenu.actions()[0].setDisabled(True)

                if len(actions_in_menu) == 5:
                    self.recent_files_submenu.removeAction(actions_in_menu[4])

        self.file_dock.file_tab.most_recent_path = os.path.dirname(
            most_recent_file)
        self._submenu_add_shortcut_for_first_item()
        self.recent_files_submenu.update()

    def _submenu_add_shortcut_for_first_item(self):
        actions_in_menu = self.recent_files_submenu.actions()
        actions_in_menu[0].setShortcut('Alt+1')
        for action in actions_in_menu[1:]:
            action.setShortcut('')
        self.recent_files_submenu.update()

    def wrapper_recent_files(self, f):
        if f:
            self.file_dock.file_tab.disable_files_in_menu_and_open(f)
            self.update_submenu_recent_files()

    def wrapper_export_bonds(self):
        filename = QtWidgets.QFileDialog.getSaveFileName(
            self, "Export Bonds", "bonds.txt")[0]
        if filename:
            core.bonds.export_bonds(filename,
                                    self.control.visualization.results.atoms)
            QtWidgets.QMessageBox.information(
                self, 'Export Bonds', "Saved to filename: %s" % (filename))

    def wrapper_export_bond_angles(self):
        filename = QtWidgets.QFileDialog.getSaveFileName(
            self, "Export Bond Angles", "bond_angles.txt")[0]
        if filename:
            core.bonds.export_bond_angles(
                filename, self.control.visualization.results.atoms)
            QtWidgets.QMessageBox.information(
                self, 'Export Bond Angles',
                "Saved to filename: %s" % (filename))

    def wrapper_export_bond_dihedral_angles(self):
        filename = QtWidgets.QFileDialog.getSaveFileName(
            self, "Export Bond Dihedral Angles", "bond_dihedral_angles.txt")[0]
        if filename:
            core.bonds.export_bond_dihedral_angles(
                filename, self.control.visualization.results.atoms)
            QtWidgets.QMessageBox.information(
                self, 'Export Bond Dihedral Angles',
                "Saved to filename: %s" % (filename))

    def wrapper_export_domains(self):
        filename = QtWidgets.QFileDialog.getSaveFileName(
            self, "Export Cavity Information (domains)", "domains")[0]
        if filename:
            filenames = self.control.visualization.results.domains.totxt(
                filename + '_{property}.txt')
            QtWidgets.QMessageBox.information(
                self, 'Export Cavity Information (domains)',
                "Saved to filenames: %s" % (', '.join(filenames)))

    def wrapper_export_surface_cavities(self):
        filename = QtWidgets.QFileDialog.getSaveFileName(
            self, "Export Cavity Information (surface method)",
            "surface_cavities")[0]
        if filename:
            filenames = self.control.visualization.results.surface_cavities.totxt(
                filename + '_{property}.txt')
            QtWidgets.QMessageBox.information(
                self, 'Export Cavity Information (surface method)',
                "Saved to filenames: %s" % (', '.join(filenames)))

    def wrapper_export_center_cavities(self):
        filename = QtWidgets.QFileDialog.getSaveFileName(
            self, "Export Cavity Information (center method)",
            "center_cavities")[0]
        if filename:
            filenames = self.control.visualization.results.center_cavities.totxt(
                filename + '_{property}.txt')
            QtWidgets.QMessageBox.information(
                self, 'Export Cavity Information (center method)',
                "Saved to filenames: %s" % (', '.join(filenames)))

    def keyPressEvent(self, e):
        if e.key() == QtCore.Qt.Key_M:
            if not self.isFullScreen():
                for dock in self.docks:
                    dock.hide()
                self.showFullScreen()
            else:
                for dock in self.docks:
                    dock.show()
                self.showNormal()

    def set_output_callbacks(self, progress_func, print_func, finish_func,
                             error_func, log_func):
        message.set_output_callbacks(progress_func, print_func, finish_func,
                                     error_func, log_func)

    def updatestatus(self, was_successful=lambda: True):
        if was_successful and self.control.results is not None:
            results = self.control.results[-1][-1]
            self.shown_dataset = results
            visualization_settings = self.control.visualization.settings
            status = results.description(
                domain_volume=visualization_settings.show_domains,
                surface_cavity_volume=visualization_settings.
                show_surface_cavities,
                center_cavity_volume=visualization_settings.
                show_center_cavities)
            self.statusBar().showMessage(status)
            self.statistics_dock.update_results(
                self.control.visualization.results)
            self.view_dock.setVisible(True)
            self.view_dock.view_tab.update_cavity_buttons(
                self.control.visualization.results, None)
            self.center.gl_stack.updatestatus()
            QtWidgets.QApplication.postEvent(self.center.gl_stack.gl_widget,
                                             UpdateGLEvent())