Exemple #1
0
    def load_form(self, name, dialog=None):
        '''Load a form from pmg_qt/forms/{name}.py'''
        import importlib
        if dialog is None:
            dialog = QtWidgets.QDialog(self)
            widget = dialog
        elif dialog == 'floating':
            widget = QtWidgets.QWidget(self)
        else:
            widget = dialog

        try:
            m = importlib.import_module('.forms.' + name, 'pmg_qt')
        except ImportError as e:
            if pymol.Qt.DEBUG:
                print('load_form import failed (%s)' % (e, ))
            uifile = os.path.join(os.path.dirname(__file__), 'forms',
                                  '%s.ui' % name)
            form = pymol.Qt.utils.loadUi(uifile, widget)
        else:
            if hasattr(m, 'Ui_Form'):
                form = m.Ui_Form()
            else:
                form = m.Ui_Dialog()

            form.setupUi(widget)

        if dialog == 'floating':
            dialog = QtWidgets.QDockWidget(widget.windowTitle(), self)
            dialog.setFloating(True)
            dialog.setWidget(widget)
            dialog.resize(widget.size())

        form._dialog = dialog
        return form
Exemple #2
0
def VolumePanelDocked(parent, *args, **kwargs):
    widget = QtWidgets.QWidget(parent)
    window = QtWidgets.QDockWidget(parent)
    _VolumePanel(widget, window, *args, **kwargs)
    window.setWidget(widget)
    parent.addDockWidget(Qt.BottomDockWidgetArea, window)

    # disabled: always use default style
    # window.topLevelChanged.connect(widget.editor.windowTopLevelChanged)

    return window
Exemple #3
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    def toggle_ext_window_dockable(self, neverfloat=False):
        '''
        Toggle whether the "external" GUI is dockable
        '''
        dockWidget = self.ext_window

        if dockWidget.titleBarWidget() is None:
            tbw = QtWidgets.QWidget()
        else:
            tbw = None

        dockWidget.setFloating(tbw is None and not neverfloat)
        dockWidget.setTitleBarWidget(tbw)
        dockWidget.show()
Exemple #4
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    def __init__(self, *args, **kwargs):

        super(PyMod_plot_window_qt, self).__init__(*args, **kwargs)

        # Central widget.
        self.central_widget = QtWidgets.QWidget()
        self.setCentralWidget(self.central_widget)
        self.central_widget_layout = QtWidgets.QGridLayout()
        self.central_widget.setLayout(self.central_widget_layout)


        #------------------------------------------------
        # Upper frame (contains the plot and controls). -
        #------------------------------------------------

        expanding_size_policy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Expanding,
                                                      QtWidgets.QSizePolicy.Expanding)

        preferred_size_policy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred,
                                                      QtWidgets.QSizePolicy.Preferred)

        # The upper frame contains three frames: info, plot and controls frames.
        # The infor and controls frames will be displayed only if the 'use_controls'
        # argument is set to 'True' when calling the 'build_plotting_area' method.
        self.upper_frame = QtWidgets.QFrame()
        self.upper_frame.setStyleSheet("background-color: #646464")
        self.upper_frame_layout = QtWidgets.QGridLayout()
        self.upper_frame.setLayout(self.upper_frame_layout)
        self.upper_frame.setSizePolicy(expanding_size_policy)
        self.central_widget_layout.addWidget(self.upper_frame, 0, 0)

        # Info frame, it contains the messagebar of the plot.
        self.info_frame = QtWidgets.QFrame()
        self.info_frame_layout = QtWidgets.QHBoxLayout()
        self.info_frame.setLayout(self.info_frame_layout)
        self.info_frame.setSizePolicy(preferred_size_policy)

        self.info_label = QtWidgets.QLabel("")
        self.info_frame_layout.addWidget(self.info_label)

        # Plot frame.
        self.plot_frame = QtWidgets.QFrame()
        # self.plot_frame.setStyleSheet("background-color: red")
        self.plot_frame_layout = QtWidgets.QGridLayout()
        self.plot_frame.setLayout(self.plot_frame_layout)
        self.plot_frame.setSizePolicy(expanding_size_policy)
        self.build_plot_widget()


        # Controls frame.
        self.controls_frame = QtWidgets.QWidget()
        self.controls_frame.setStyleSheet("background-color: #747474")
        self.controls_frame_layout = QtWidgets.QGridLayout()
        self.controls_frame.setLayout(self.controls_frame_layout)
        self.controls_frame_layout.setAlignment(QtCore.Qt.AlignLeft | QtCore.Qt.AlignTop)

        self.controls_scrollarea = QtWidgets.QScrollArea()
        self.controls_scrollarea.setWidgetResizable(True)
        self.controls_scrollarea.setWidget(self.controls_frame)

        self.labels_title = QtWidgets.QLabel("Plots list")


        # Middle splitter.
        self.middle_splitter = QtWidgets.QSplitter(QtCore.Qt.Horizontal)
        self.middle_splitter.setSizePolicy(expanding_size_policy)


        #---------------------------------------
        # Lower frame (contains some options). -
        #---------------------------------------

        self.lower_frame = QtWidgets.QFrame()
        self.lower_frame_layout = QtWidgets.QGridLayout()
        self.lower_frame.setLayout(self.lower_frame_layout)
        self.central_widget_layout.addWidget(self.lower_frame, 1, 0)

        # View buttons.
        self.view_label = QtWidgets.QLabel("View:")
        self.lower_frame_layout.addWidget(self.view_label, 0, 0)

        self.home_view_button = QtWidgets.QPushButton("Fit to data")
        self.home_view_button.clicked.connect(self.on_home_button_click)
        self.lower_frame_layout.addWidget(self.home_view_button, 0, 1)

        # On click behaviour. The buttons will be shown later, in the
        # 'build_plotting_area' metohd.
        self.interact_buttons_group = QtWidgets.QButtonGroup()

        self.on_click_label = QtWidgets.QLabel("Interact on click:")

        self.interact_button = QtWidgets.QPushButton("Yes")
        self.interact_button.setCheckable(True)
        self.interact_buttons_group.addButton(self.interact_button)
        self.interact_button.clicked.connect(self.on_interact_button_click)

        self.no_interaction_button = QtWidgets.QPushButton("No")
        self.no_interaction_button.setCheckable(True)
        self.no_interaction_button.setChecked(True)
        self.interact_buttons_group.addButton(self.no_interaction_button)
        self.no_interaction_button.clicked.connect(self.on_no_interaction_button_click)


        # Show/hide all buttons. They will be shown later, in the 'build_plotting_area'
        # method.
        self.show_label = QtWidgets.QLabel("Show:")

        self.show_all_button = QtWidgets.QPushButton("All")
        self.show_all_button.clicked.connect(self.show_all_command)

        self.hide_all_button = QtWidgets.QPushButton("None")
        self.hide_all_button.clicked.connect(self.hide_all_command)

        self.lower_frame_layout.setAlignment(QtCore.Qt.AlignLeft)


        #---------------------
        # Build a main menu. -
        #---------------------

        self.save_to_csv_action = QtWidgets.QAction('Save to CSV', self)
        self.save_to_csv_action.triggered.connect(lambda a=None: self.save_to_csv_event())
        self.save_to_png_action = QtWidgets.QAction('Save to PNG', self)
        self.save_to_png_action.triggered.connect(lambda a=None: self.save_to_png_event())

        self.main_menubar = self.menuBar()
        self.file_menu = self.main_menubar.addMenu('File')
Exemple #5
0
    def __init__(self):  # noqa
        QtWidgets.QMainWindow.__init__(self)
        self.setDockOptions(QtWidgets.QMainWindow.AllowTabbedDocks
                            | QtWidgets.QMainWindow.AllowNestedDocks)

        # resize Window before it is shown
        options = pymol.invocation.options
        self.resize(options.win_x + (220 if options.internal_gui else 0),
                    options.win_y + (246 if options.external_gui else 18))

        # for thread-safe viewport command
        self.viewportsignal.connect(self.pymolviewport)

        # reusable dialogs
        self.dialog_png = None
        self.advanced_settings_dialog = None
        self.props_dialog = None
        self.builder = None

        # setting index -> callable
        self.setting_callbacks = defaultdict(list)

        # "session_file" setting in window title
        self.setting_callbacks[440].append(lambda v: self.setWindowTitle(
            "PyMOL (" + os.path.basename(v) + ")"))

        # "External" Command Line and Loggin Widget
        self._setup_history()
        self.lineedit = CommandLineEdit()
        self.lineedit.setObjectName("command_line")
        self.browser = QtWidgets.QPlainTextEdit()
        self.browser.setObjectName("feedback_browser")
        self.browser.setReadOnly(True)

        # convenience: clicking into feedback browser gives focus to command
        # line. Drawback: Copying with CTRL+C doesn't work in feedback
        # browser -> clear focus proxy while text selected
        self.browser.setFocusProxy(self.lineedit)

        @self.browser.copyAvailable.connect
        def _(yes):
            self.browser.setFocusProxy(None if yes else self.lineedit)
            self.browser.setFocus()

        # Font
        self.browser.setFont(getMonospaceFont())
        connectFontContextMenu(self.browser)

        lineeditlayout = QtWidgets.QHBoxLayout()
        command_label = QtWidgets.QLabel("PyMOL>")
        command_label.setObjectName("command_label")
        lineeditlayout.addWidget(command_label)
        lineeditlayout.addWidget(self.lineedit)
        self.lineedit.setToolTip('''Command Input Area

Get the list of commands by hitting <TAB>

Get the list of arguments for one command with a question mark:
PyMOL> color ?

Read the online help for a command with "help":
PyMOL> help color

Get autocompletion for many arguments by hitting <TAB>
PyMOL> color ye<TAB>    (will autocomplete "yellow")
''')

        layout = QtWidgets.QVBoxLayout()
        layout.addWidget(self.browser)
        layout.addLayout(lineeditlayout)

        quickbuttonslayout = QtWidgets.QVBoxLayout()
        quickbuttonslayout.setSpacing(2)

        extguilayout = QtWidgets.QBoxLayout(QtWidgets.QBoxLayout.LeftToRight)
        extguilayout.setContentsMargins(2, 2, 2, 2)
        extguilayout.addLayout(layout)
        extguilayout.addLayout(quickbuttonslayout)

        class ExtGuiFrame(QtWidgets.QFrame):
            def mouseDoubleClickEvent(_, event):
                self.toggle_ext_window_dockable(True)

            _size_hint = QtCore.QSize(options.win_x, options.ext_y)

            def sizeHint(self):
                return self._size_hint

        dockWidgetContents = ExtGuiFrame(self)
        dockWidgetContents.setLayout(extguilayout)
        dockWidgetContents.setObjectName("extgui")

        self.ext_window = \
            dockWidget = QtWidgets.QDockWidget(self)
        dockWidget.setWindowTitle("External GUI")
        dockWidget.setWidget(dockWidgetContents)
        if options.external_gui:
            dockWidget.setTitleBarWidget(QtWidgets.QWidget())
        else:
            dockWidget.hide()

        self.addDockWidget(Qt.TopDockWidgetArea, dockWidget)

        # rearrange vertically if docking left or right
        @dockWidget.dockLocationChanged.connect
        def _(area):
            if area == Qt.LeftDockWidgetArea or area == Qt.RightDockWidgetArea:
                extguilayout.setDirection(QtWidgets.QBoxLayout.BottomToTop)
                quickbuttonslayout.takeAt(quickbuttons_stretch_index)
            else:
                extguilayout.setDirection(QtWidgets.QBoxLayout.LeftToRight)
                if quickbuttons_stretch_index >= quickbuttonslayout.count():
                    quickbuttonslayout.addStretch()

        # OpenGL Widget
        self.pymolwidget = PyMOLGLWidget(self)
        self.setCentralWidget(self.pymolwidget)

        cmd = self.cmd = self.pymolwidget.cmd
        '''
        # command completion
        completer = QtWidgets.QCompleter(cmd.kwhash.keywords, self)
        self.lineedit.setCompleter(completer)
        '''

        # overload <Tab> action
        self.lineedit.installEventFilter(self)
        self.pymolwidget.installEventFilter(self)

        # Quick Buttons
        for row in [
            [
                ('Reset', cmd.reset),
                ('Zoom', lambda: cmd.zoom(animate=1.0)),
                ('Orient', lambda: cmd.orient(animate=1.0)),

                # render dialog will be constructed when the menu is shown
                # for the first time. This way it's populated with the current
                # viewport and settings. Also defers parsing of the ui file.
                ('Draw/Ray', WidgetMenu(self).setSetupUi(self.render_dialog)),
            ],
            [
                ('Unpick', cmd.unpick),
                ('Deselect', cmd.deselect),
                ('Rock', cmd.rock),
                ('Get View', self.get_view),
            ],
            [
                ('|<', cmd.rewind),
                ('<', cmd.backward),
                ('Stop', cmd.mstop),
                ('Play', cmd.mplay),
                ('>', cmd.forward),
                ('>|', cmd.ending),
                ('MClear', cmd.mclear),
            ],
            [
                ('Builder', self.open_builder_panel),
                ('Properties', self.open_props_dialog),
                ('Rebuild', cmd.rebuild),
            ],
        ]:
            hbox = QtWidgets.QHBoxLayout()
            hbox.setSpacing(2)

            for name, callback in row:
                btn = QtWidgets.QPushButton(name)
                btn.setProperty("quickbutton", True)
                btn.setAttribute(Qt.WA_LayoutUsesWidgetRect)  # OS X workaround
                hbox.addWidget(btn)

                if callback is None:
                    btn.setEnabled(False)
                elif isinstance(callback, QtWidgets.QMenu):
                    btn.setMenu(callback)
                else:
                    btn.released.connect(callback)

            quickbuttonslayout.addLayout(hbox)

        # progress bar
        hbox = QtWidgets.QHBoxLayout()
        self.progressbar = QtWidgets.QProgressBar()
        self.progressbar.setSizePolicy(QtWidgets.QSizePolicy.Minimum,
                                       QtWidgets.QSizePolicy.Minimum)
        hbox.addWidget(self.progressbar)
        self.abortbutton = QtWidgets.QPushButton('Abort')
        self.abortbutton.setStyleSheet("background: #FF0000; color: #FFFFFF")
        self.abortbutton.released.connect(cmd.interrupt)
        hbox.addWidget(self.abortbutton)
        quickbuttonslayout.addLayout(hbox)

        quickbuttonslayout.addStretch()
        quickbuttons_stretch_index = quickbuttonslayout.count() - 1

        # menu top level
        self.menubar = menubar = self.menuBar()

        # action groups
        actiongroups = {}

        def _addmenu(data, menu):
            '''Fill a menu from "data"'''
            menu.setTearOffEnabled(True)
            menu.setWindowTitle(menu.title())  # needed for Windows
            for item in data:
                if item[0] == 'separator':
                    menu.addSeparator()
                elif item[0] == 'menu':
                    _addmenu(item[2], menu.addMenu(item[1].replace('&', '&&')))
                elif item[0] == 'command':
                    command = item[2]
                    if command is None:
                        print('warning: skipping', item)
                    else:
                        if isinstance(command, str):
                            command = lambda c=command: cmd.do(c)
                        menu.addAction(item[1], command)
                elif item[0] == 'check':
                    if len(item) > 4:
                        menu.addAction(
                            SettingAction(self, cmd, item[2], item[1], item[3],
                                          item[4]))
                    else:
                        menu.addAction(
                            SettingAction(self, cmd, item[2], item[1]))
                elif item[0] == 'radio':
                    label, name, value = item[1:4]
                    try:
                        group, type_, values = actiongroups[item[2]]
                    except KeyError:
                        group = QtWidgets.QActionGroup(self)
                        type_, values = cmd.get_setting_tuple(name)
                        actiongroups[item[2]] = group, type_, values
                    action = QtWidgets.QAction(label, self)
                    action.triggered.connect(lambda _=0, args=(name, value):
                                             cmd.set(*args, log=1, quiet=0))

                    self.setting_callbacks[cmd.setting._get_index(
                        name)].append(
                            lambda v, V=value, a=action: a.setChecked(v == V))

                    group.addAction(action)
                    menu.addAction(action)
                    action.setCheckable(True)
                    if values[0] == value:
                        action.setChecked(True)
                elif item[0] == 'open_recent_menu':
                    self.open_recent_menu = menu.addMenu('Open Recent...')
                else:
                    print('error:', item)

        # recent files menu
        self.open_recent_menu = None

        # for plugins
        self.menudict = {'': menubar}

        # menu
        for _, label, data in self.get_menudata(cmd):
            assert _ == 'menu'
            menu = menubar.addMenu(label)
            self.menudict[label] = menu
            _addmenu(data, menu)

        # hack for macOS to hide "Edit > Start Dictation"
        # https://bugreports.qt.io/browse/QTBUG-43217
        if pymol.IS_MACOS:
            self.menudict['Edit'].setTitle('Edit_')
            QtCore.QTimer.singleShot(
                10, lambda: self.menudict['Edit'].setTitle('Edit'))

        # recent files menu
        if self.open_recent_menu:

            @self.open_recent_menu.aboutToShow.connect
            def _():
                self.open_recent_menu.clear()
                for fname in self.recent_filenames:
                    self.open_recent_menu.addAction(
                        fname if len(fname) < 128 else '...' + fname[-120:],
                        lambda fname=fname: self.load_dialog(fname))

        # some experimental window control
        menu = self.menudict['Display'].addSeparator()
        menu = self.menudict['Display'].addMenu('External GUI')
        menu.addAction('Toggle floating', self.toggle_ext_window_dockable,
                       QtGui.QKeySequence('Ctrl+E'))
        ext_vis_action = self.ext_window.toggleViewAction()
        ext_vis_action.setText('Visible')
        menu.addAction(ext_vis_action)

        # extra key mappings (MacPyMOL compatible)
        QtWidgets.QShortcut(QtGui.QKeySequence('Ctrl+O'),
                            self).activated.connect(self.file_open)
        QtWidgets.QShortcut(QtGui.QKeySequence('Ctrl+S'),
                            self).activated.connect(self.session_save)

        # feedback
        self.feedback_timer = QtCore.QTimer()
        self.feedback_timer.setSingleShot(True)
        self.feedback_timer.timeout.connect(self.update_feedback)
        self.feedback_timer.start(100)

        # legacy plugin system
        self.menudict['Plugin'].addAction('Initialize Plugin System',
                                          self.initializePlugins)

        # focus in command line
        if options.external_gui:
            self.lineedit.setFocus()
        else:
            self.pymolwidget.setFocus()

        # Apply PyMOL stylesheet
        try:
            with open(
                    cmd.exp_path('$PYMOL_DATA/pmg_qt/styles/pymol.sty')) as f:
                style = f.read()
        except IOError:
            print('Could not read PyMOL stylesheet.')
            print('DEBUG: PYMOL_DATA=' + repr(os.getenv('PYMOL_DATA')))
            style = ""

        if style:
            self.setStyleSheet(style)
Exemple #6
0
    def initialize_plot(self, pymod, target_element, residues_tags, plot_title,
                        aa_list):

        self.pymod = pymod
        self.target_element = target_element
        self.residues_tags = residues_tags
        self.plot_title = plot_title
        self.setWindowTitle("%s Ramachandran Plot" %
                            self.target_element.my_header)
        self.aa_list = aa_list

        # Frame of the window containing a row for some control buttons, a row for
        # the plot and a row for a messagebar.
        self.plot_frame = QtWidgets.QWidget()
        self.plot_frame_layout = QtWidgets.QGridLayout()
        self.plot_frame.setLayout(self.plot_frame_layout)
        self.setCentralWidget(self.plot_frame)

        # Control frame.
        self.controls_frame = QtWidgets.QWidget()
        self.controls_frame_layout = QtWidgets.QGridLayout()
        self.controls_frame.setLayout(self.controls_frame_layout)
        self.plot_frame_layout.addWidget(self.controls_frame, 0, 0)

        self.scale_factor = 0
        self.scale_down_button = QtWidgets.QPushButton("Zoom out")
        try:
            self.scale_down_button.setIcon(QtGui.QIcon.fromTheme("go-down"))
        except:
            pass
        self.scale_down_button.clicked.connect(
            lambda a=None: self.scale_plot_down())
        self.controls_frame_layout.addWidget(self.scale_down_button, 0, 0)

        self.scale_up_button = QtWidgets.QPushButton("Zoom in")
        try:
            self.scale_up_button.setIcon(QtGui.QIcon.fromTheme("go-up"))
        except:
            pass
        self.scale_up_button.clicked.connect(
            lambda a=None: self.scale_plot_up())
        self.controls_frame_layout.addWidget(self.scale_up_button, 0, 1)

        self.controls_frame_layout.setAlignment(QtCore.Qt.AlignLeft)

        # Frame containing the plot (with a scrollbar).
        self.canvas_plot_frame = QtWidgets.QWidget()
        self.canvas_plot_frame.setStyleSheet("background-color: white")
        self.canvas_plot_frame_layout = QtWidgets.QGridLayout()
        self.canvas_plot_frame.setLayout(self.canvas_plot_frame_layout)

        self.canvas_plot_scrollarea = QtWidgets.QScrollArea()
        self.canvas_plot_scrollarea.setWidgetResizable(True)
        self.canvas_plot_scrollarea.setWidget(self.canvas_plot_frame)
        self.plot_frame_layout.addWidget(self.canvas_plot_scrollarea, 1, 0)

        self.default_pen = QtGui.QPen(QtGui.QColor(0, 0, 0, 255), 1)
        self.default_brush = QtGui.QBrush(QtGui.QColor(0, 0, 0, 230))
        self.highlight_brush = QtGui.QBrush(QtGui.QColor(255, 0, 255))
        self.highlight_region_brush = QtGui.QBrush(QtGui.QColor(0, 255, 255))

        # Builds the scene where to draw the Ramachandran plot.
        self.canvas_plot_scene = QtWidgets.QGraphicsScene()
        # Builds the graphics view containing the scene above.
        self.canvas_plot_view = QtWidgets.QGraphicsView(self.canvas_plot_scene)
        self.canvas_plot_frame_layout.addWidget(self.canvas_plot_view)

        # A bottom frame fo the window, containing some buttons to interact with the graph.
        self.message_frame = QtWidgets.QFrame()
        self.message_frame_layout = QtWidgets.QFormLayout()
        self.message_frame.setLayout(self.message_frame_layout)
        self.plot_frame_layout.addWidget(self.message_frame, 1, 1)

        # Label to show which residue/position pair is currently being hovered by the mouse pointer.
        self.view_label_prefix = "Showing: "
        self.default_message = "Hover dots to color residues of the same type"  # Hover over title.
        self.message_label = QtWidgets.QLabel(self.default_message)
        self.message_label.setStyleSheet(small_font_style)
        self.message_frame_layout.addRow(self.message_label)

        # Actually draws the plot.
        self.draw_plot()

        # Shows some data about the type of residues and their dihedral angles.
        self.regions_labels_dict = {}
        tot_regular_res = float(self.residues_count["T"])

        label_params = [
            ("F", "Residues in the most favoured regions",
             "residues in most favoured regions", True, True),
            ("A", "Residues in additional allowed regions",
             "residues in additional allowed regions", True, True),
            ("G", "Residues in generously allowed regions",
             "residues in generously allowed regions", True, True),
            ("D", "Residues in disallowed regions",
             "residues in disallowed regions", True, True),
            ("T", "Non-gly and non-pro residues (circles)",
             "non-glycine and non-proline residues", True, True),
            ("end_res", "End-residues", "end residues", False, False),
            ("gly", "Gly residues (triangles)", "glycine residues", True,
             False),
            ("pro", "Pro residues (squares)", "proline residues", True, False),
            ("total", "Total number of residues", "all residues", True, False)
        ]
        for region, label, message, active, use_ratio in label_params:
            region_label = Ramachandran_plot_info_labels(
                label, message, region, active, self)
            region_label.setStyleSheet(small_font_style)
            if use_ratio:
                text = "%s (%s%%)" % (self.residues_count[region],
                                      round(
                                          self.residues_count[region] /
                                          tot_regular_res * 100, 1))
            else:
                text = str(self.residues_count[region])
            region_label_count = QtWidgets.QLabel(text)
            region_label_count.setStyleSheet(small_font_style)
            self.message_frame_layout.addRow(region_label, region_label_count)
            self.regions_labels_dict[region] = {
                "info": region_label,
                "data": region_label_count
            }
Exemple #7
0
    def initialize_map(self,
                       pymod,
                       data_array,
                       pymod_elements,
                       ref_residues,
                       ref_selectors,
                       title=None,
                       pixel_size=5,
                       feature_type="contact",
                       threshold=8.0,
                       interaction_center="ca"):

        # Sets the attributes.
        self.data_array = data_array
        self.pixel_size = pixel_size
        self.feature_type = feature_type
        self.threshold = threshold
        self.interaction_center = interaction_center
        if self.feature_type in ("contact", "distance"):
            self.pymod_elements = pymod_elements
            self.pymod_element = self.pymod_elements[0]
        else:
            self.pymod_elements = pymod_elements
        # Get the PyMod residues for each residue having an interaction center and the PyMOL selectors
        # for each residue.
        self.ref_residues = ref_residues
        self.ref_selectors = ref_selectors

        # Assign the methods to get the labels.
        if self.feature_type == "contact":
            self.get_value_label = self._get_value_label_contact
        elif self.feature_type == "distance":
            self.get_value_label = self._get_value_label_distance
        elif self.feature_type == "distances_difference":
            self.get_value_label = self._get_value_label_distance_diff
        elif self.feature_type == "distances_mean":
            self.get_value_label = self._get_value_label_distance_mean
        elif self.feature_type == "distances_std":
            self.get_value_label = self._get_value_label_distance_std
        else:
            raise KeyError(self.feature_type)

        # Set the canvas size.
        min_size = 150
        h = self.pixel_size * len(self.data_array)
        win_size = min((910, h))
        win_size = max((min_size, win_size))

        if title:
            self.setWindowTitle(title)

        # Set some appearance parameters.
        self.controls_padding = 4
        if self.feature_type in ("contact", "distance"):
            self.controls_font = "helvetica 11 bold"
        else:
            self.controls_font = "helvetica 10 bold"
        self.controls_config = {
            "fg": "black",
            "font": self.controls_font,
            "padx": self.controls_padding,
            "pady": self.controls_padding
        }
        self.labels_pack_config = {
            "side": "left",
            "pady": (0, 5),
            "padx": (5, 0)
        }
        self.buttons_pack_config = {
            "side": "left",
            "pady": (0, 5),
            "padx": (1, 0)
        }

        # Frame of the window containing a row for some control buttons, a row for
        # the plot and a row for a messagebar.
        self.plot_frame = QtWidgets.QWidget()
        self.plot_frame_layout = QtWidgets.QGridLayout()
        self.plot_frame.setLayout(self.plot_frame_layout)
        self.setCentralWidget(self.plot_frame)

        # Control frame.
        self.controls_frame = QtWidgets.QWidget()
        self.controls_frame_layout = QtWidgets.QGridLayout()
        self.controls_frame.setLayout(self.controls_frame_layout)
        self.plot_frame_layout.addWidget(self.controls_frame)

        self.delete_distances_button = QtWidgets.QPushButton(
            "Delete all distances in PyMOL")
        self.delete_distances_button.setEnabled(False)
        self.delete_distances_button.clicked.connect(
            lambda a=None: self.clear_plot())
        self.controls_frame_layout.addWidget(self.delete_distances_button, 0,
                                             0)

        self.scale_factor = 0
        self.scale_down_button = QtWidgets.QPushButton("Zoom out")
        try:
            self.scale_down_button.setIcon(QtGui.QIcon.fromTheme("go-down"))
        except:
            pass
        self.scale_down_button.clicked.connect(
            lambda a=None: self.scale_plot_down())
        self.controls_frame_layout.addWidget(self.scale_down_button, 0, 1)

        self.scale_up_button = QtWidgets.QPushButton("Zoom in")
        try:
            self.scale_up_button.setIcon(QtGui.QIcon.fromTheme("go-up"))
        except:
            pass
        self.scale_up_button.clicked.connect(
            lambda a=None: self.scale_plot_up())
        self.controls_frame_layout.addWidget(self.scale_up_button, 0, 2)

        self.controls_frame_layout.setAlignment(QtCore.Qt.AlignLeft)

        # Frame containing the plot (with a scrollbar).
        self.canvas_plot_frame = QtWidgets.QWidget()
        self.canvas_plot_frame.setStyleSheet("background-color: white")
        self.canvas_plot_frame_layout = QtWidgets.QGridLayout()
        self.canvas_plot_frame.setLayout(self.canvas_plot_frame_layout)

        self.canvas_plot_scrollarea = QtWidgets.QScrollArea()
        self.canvas_plot_scrollarea.setWidgetResizable(True)
        self.canvas_plot_scrollarea.setWidget(self.canvas_plot_frame)
        self.plot_frame_layout.addWidget(self.canvas_plot_scrollarea)

        # Builds the scene where to draw the contact map.
        self.canvas_plot_scene = QtWidgets.QGraphicsScene()
        # Builds the graphics view containing the scene above.
        self.canvas_plot_view = Contact_map_graphics_view(
            self.canvas_plot_scene)
        self.canvas_plot_frame_layout.addWidget(self.canvas_plot_view)

        # A bottom frame fo the window, containing some buttons to interact with the graph.
        self.message_frame = QtWidgets.QFrame()
        self.message_frame_layout = QtWidgets.QHBoxLayout()
        self.message_frame.setLayout(self.message_frame_layout)
        self.plot_frame_layout.addWidget(self.message_frame)

        # Label to show which residue/position pair is currently being hovered by the mouse pointer.
        if self.feature_type in ("contact", "distance"):
            view_label_text = "Couple:"
        else:
            view_label_text = "Alignment positions:"
        self.view_label = QtWidgets.QLabel(view_label_text)
        # self.view_label.setStyleSheet(self.controls_config)
        self.message_frame_layout.addWidget(self.view_label)

        # Actually draws the contact map.
        self.draw_map()
Exemple #8
0
    def __init__(self, parent, protocol):

        super(Similarity_searches_results_window_qt, self).__init__(parent)
        self.protocol = protocol

        #########################
        # Configure the window. #
        #########################

        self.setWindowTitle(self._get_window_title())

        # Sets the central widget.
        self.central_widget = QtWidgets.QWidget()
        self.setCentralWidget(self.central_widget)

        # The window has a main vbox layout.
        self.main_vbox = QtWidgets.QVBoxLayout()


        ################
        # Upper frame. #
        ################

        title_text = self._get_upper_frame_title()

        self.upper_frame_title = QtWidgets.QLabel(title_text)
        self.main_vbox.addWidget(self.upper_frame_title)


        #################
        # Middle frame. #
        #################

        # Scroll area which contains the widgets, set as the centralWidget.
        self.middle_scroll = QtWidgets.QScrollArea()
        self.main_vbox.addWidget(self.middle_scroll)
        # Widget that contains the collection of Vertical Box.
        self.middle_widget = QtWidgets.QWidget()
        # Scroll area properties.
        self.middle_scroll.setWidgetResizable(True)
        self.middle_scroll.setWidget(self.middle_widget)

        # QFormLayout in the middle frame.
        self.middle_formlayout = QtWidgets.QFormLayout()
        self.middle_widget.setLayout(self.middle_formlayout)


        #-----------------
        # Buttons frame. -
        #-----------------

        # Set the frame and its layout.
        self.buttons_frame = QtWidgets.QFrame()
        self.middle_formlayout.addRow(self.buttons_frame)
        self.buttons_hbox = QtWidgets.QHBoxLayout()
        self.buttons_frame.setLayout(self.buttons_hbox)

        # Build the control buttons.
        self.blast_select_all_button = QtWidgets.QPushButton(text="Select All")
        self.blast_select_all_button.clicked.connect(self.blast_select_all)
        self.blast_select_none_button = QtWidgets.QPushButton(text="Select None")
        self.blast_select_none_button.clicked.connect(self.blast_select_none)
        self.blast_select_n_button = QtWidgets.QPushButton(text="Select Top:")
        self.blast_select_n_button.clicked.connect(self.blast_select_n)
        for button in [self.blast_select_all_button, self.blast_select_none_button, self.blast_select_n_button]:
            self.buttons_hbox.addWidget(button)

        # Build the line-edit for selecting only top entries.
        self.blast_select_n_enf = PyMod_entryfield_qt(label_text="", value="10",
                                                      validate={'validator': 'integer',
                                                                'min': 1, 'max': 5000})
        self.blast_select_n_enf.entry.setFixedWidth(70)
        self.buttons_hbox.addWidget(self.blast_select_n_enf.entry)

        # Align to the left all these widgets.
        self.buttons_hbox.setAlignment(QtCore.Qt.AlignLeft)
        for button in [self.blast_select_all_button, self.blast_select_none_button, self.blast_select_n_button]:
            button.setFixedWidth(button.sizeHint().width()+30)

        #-----------------
        # Results frame. -
        #-----------------

        # Set the frame and its layout.
        self.results_frame = QtWidgets.QFrame()
        self.middle_formlayout.addRow(self.results_frame)
        self.results_grid = QtWidgets.QGridLayout()
        self.results_frame.setLayout(self.results_grid)

        # Calls a method which actually displays the similarity searches results.
        self.display_blast_hits()

        # Align the gridded widgets to the left.
        self.results_grid.setAlignment(QtCore.Qt.AlignLeft)
        self.results_grid.setHorizontalSpacing(30)


        #################
        # Bottom frame. #
        #################

        self.main_button = QtWidgets.QPushButton("Submit")
        self.main_button.clicked.connect(lambda a=None: self.protocol.blast_results_state())
        self.main_vbox.addWidget(self.main_button)
        self.main_button.setFixedWidth(self.main_button.sizeHint().width())


        # Sets the main vertical layout.
        self.central_widget.setLayout(self.main_vbox)
        self.main_vbox.setAlignment(self.main_button, QtCore.Qt.AlignCenter)
Exemple #9
0
    def __init__(
        self,
        parent,
        title="New PyMod Window",
        upper_frame_title="New PyMod Window Sub-title",
        submit_command=None,
        submit_button_text="Submit",
        with_scroll=True,
        # geometry=None
    ):

        super(PyMod_tool_window_qt, self).__init__(parent)

        #------------------------
        # Configure the window. -
        #------------------------

        # Command executed when pressing on the main button of the window.
        self.submit_command = submit_command

        # Configure the window.
        self.setWindowTitle(title)
        # if geometry is not None:
        #     self.setGeometry(*geometry)

        # Sets the central widget.
        self.central_widget = QtWidgets.QWidget()
        self.setCentralWidget(self.central_widget)

        # The window has a main vbox layout.
        self.main_vbox = QtWidgets.QVBoxLayout()

        #---------------
        # Upper frame. -
        #---------------

        self.upper_frame_title = QtWidgets.QLabel(upper_frame_title)
        self.main_vbox.addWidget(self.upper_frame_title)

        #----------------
        # Middle frame. -
        #----------------

        # Widget that contains the collection of Vertical Box.
        self.middle_widget = QtWidgets.QWidget()
        # The Vertical Box that contains other widgets to be displayed in the window.
        self.middle_vbox = QtWidgets.QVBoxLayout()
        self.middle_widget.setLayout(self.middle_vbox)

        # Scroll area which contains the widgets, set as the centralWidget.
        self.middle_scroll = QtWidgets.QScrollArea()

        # Scroll area properties.
        # self.middle_scroll.setVerticalScrollBarPolicy(QtCore.Qt.ScrollBarAlwaysOn)
        # self.middle_scroll.setHorizontalScrollBarPolicy(QtCore.Qt.ScrollBarAlwaysOff)
        self.middle_scroll.setWidgetResizable(True)
        self.middle_scroll.setWidget(self.middle_widget)

        # QFormLayout in the middle frame.
        if self.middle_layout_type == "qform":
            self.middle_formlayout = PyMod_QFormLayout()
            self.middle_vbox.addLayout(self.middle_formlayout)
        elif self.middle_layout_type == "qgrid":
            self.middle_formlayout = QtWidgets.QGridLayout()
            self.middle_vbox.addLayout(self.middle_formlayout)
        else:
            raise KeyError("Unknown 'middle_layout_type': %s" %
                           middle_layout_type)

        self.add_middle_frame_widgets()

        self.main_vbox.addWidget(self.middle_scroll)

        #----------------
        # Bottom frame. -
        #----------------

        self.submit_command = submit_command
        if self.submit_command is not None:
            self.main_button = QtWidgets.QPushButton(submit_button_text)
            self.main_button.clicked.connect(
                lambda a=None: self.submit_command())
            self.main_vbox.addWidget(self.main_button)
            self.main_button.setFixedWidth(self.main_button.sizeHint().width())

        # Sets the main vertical layout.
        self.central_widget.setLayout(self.main_vbox)
        self.main_vbox.setAlignment(self.main_button, QtCore.Qt.AlignCenter)
Exemple #10
0
    def __init__(self, parent=None, app=None):
        super(_BuilderPanel, self).__init__(parent)

        self.setWindowTitle("Builder")
        self.setObjectName("builder")
        self.cmd = app.pymol.cmd

        self.layout = QtWidgets.QVBoxLayout()
        self.setLayout(self.layout)
        self.buttons_layout = QtWidgets.QVBoxLayout()

        self.tabs = QtWidgets.QTabWidget(self)
        self.layout.setContentsMargins(5, 5, 5, 5);
        self.layout.setSpacing(5);
        self.layout.addWidget(self.tabs)
        self.layout.addLayout(self.buttons_layout)
        self.layout.addStretch()

        self.fragments_layout = QtWidgets.QGridLayout()
        self.fragments_layout.setContentsMargins(5, 5, 5, 5);
        self.fragments_layout.setSpacing(5);
        self.fragments_tab = QtWidgets.QWidget()
        self.fragments_tab.setLayout(self.fragments_layout)
        self.protein_layout = QtWidgets.QGridLayout()
        self.protein_layout.setContentsMargins(5, 5, 5, 5);
        self.protein_layout.setSpacing(5);
        self.protein_tab = QtWidgets.QWidget()
        self.protein_tab.setLayout(self.protein_layout)

        self.tabs.addTab(self.fragments_tab, "Chemical")
        self.tabs.addTab(self.protein_tab, "Protein")

        self.getIcons()

        buttons = [
            [ ("H", "Hydrogen", lambda: self.replace("H", 1, 1, "Hydrogen")),
              ("C", "Carbon", lambda: self.replace("C", 4, 4, "Carbon")),
              ("N", "Nitrogen", lambda: self.replace("N", 4, 3, "Nitrogen")),
              ("O", "Oxygen", lambda: self.replace("O", 4, 2, "Oxygen")),
              ("P", "Phosphorus", lambda: self.replace("P",4,3, "Phosphorous")),
              ("S", "Sulfur", lambda: self.replace("S",2,2, "Sulfur")),
              ("F", "Fluorine", lambda: self.replace("F",1,1, "Fluorine")),
              ("Cl", "Chlorrine", lambda: self.replace("Cl",1,1, "Chlorine")),
              ("Br", "Bromine", lambda: self.replace("Br",1,1, "Bromine")),
              ("I", "Iodine", lambda: self.replace("I",1,1, "Iodine")),
              ("-CF3", "Trifluoromethane", lambda: self.replace("trifluoromethane",4,0, "trifluoro")),
              ("-OMe", "Methanol", lambda: self.replace("methanol",5,0, "methoxy")),
            ],
            [ ("CH4", "Methyl", lambda: self.grow("methane",1,0,"methyl")),
              ("C=C", "Ethylene", lambda: self.grow("ethylene",4,0,"vinyl")),
              ("C#C", "Acetylene", lambda: self.grow("acetylene",2,0,"alkynl")),
              ("C#N", "Cyanide", lambda: self.grow("cyanide",2,0,"cyano")),
              ("C=O", "Aldehyde", lambda: self.grow("formaldehyde",2,0,"carbonyl",)),
              ("C=OO", "Formic Acid", lambda: self.grow("formic",4,0,"carboxyl")),
              ("C=ON", "C->N amide", lambda: self.grow("formamide",5,0,"C->N amide")),
              ("NC=O", "N->C amide", lambda: self.grow("formamide",3,1,"N->C amide")),
              ("S=O2", "Sulfone", lambda: self.grow("sulfone",3,1,"sulfonyl")),
              ("P=O3", "Phosphite", lambda: self.grow("phosphite",4,0,"phosphoryl")),
              ("N=O2", "Nitro", lambda: self.grow("nitro",3,0,"nitro")),
            ],
            [
              ("#cyc3", "Cyclopropane", lambda: self.grow("cyclopropane",4,0,"cyclopropyl")),
              ("#cyc4", "Cyclobutane", lambda: self.grow("cyclobutane",4,0,"cyclobutyl")),
              ("#cyc5", "Cyclopentane", lambda: self.grow("cyclopentane",5,0,"cyclopentyl")),
              ("#cyc6", "Cyclohexane", lambda: self.grow("cyclohexane",7,0,"cyclohexyl")),
              ("#cyc7", "Cycloheptane", lambda: self.grow("cycloheptane",8,0,"cycloheptyl")),
              ("#aro5", "Cyclopentadiene", lambda: self.grow("cyclopentadiene",5,0,"cyclopentadienyl")),
              ("#aro6", "Benzene", lambda: self.grow("benzene",6,0,"phenyl")),
              ("#aro65", "Indane", lambda: self.grow("indane",12,0,"indanyl")),
              ("#aro66", "Napthylene", lambda: self.grow("napthylene",13,0,"napthyl")),
              ("#aro67", "Benzocycloheptane", lambda: self.grow("benzocycloheptane",13,0, "benzocycloheptyl")),
            ]
        ]

        self.btn_icons = {}

        requestsize = QtCore.QSize(48, 48)
        for row, btn_row in enumerate(buttons):
            for col, bb in enumerate(btn_row):
                btn_label, btn_tooltip, btn_command = bb
                btn = makeFragmentButton()
                if btn_label.startswith('#'):
                    icons = self.icons[btn_label[1:]]
                    btn.setIcon(icons[0])
                    btn.setIconSize(icons[1].actualSize(requestsize))
                    self.btn_icons[btn] = icons
                else:
                    btn.setText(btn_label)
                btn.setToolTip(btn_tooltip)
                btn.clicked.connect(btn_command)
                self.fragments_layout.addWidget(btn, row, col)

        buttons = [
            [ 'Ace', 'Ala', 'Arg', 'Asn', 'Asp', 'Cys', 'Gln', 'Glu', 'Gly', 'His', 'Ile', 'Leu' ],
            [ 'Lys', 'Met', 'Phe', 'Pro', 'Ser', 'Thr', 'Trp', 'Tyr', 'Val', 'NMe', 'NHH' ]
        ]
        for row, btn_row in enumerate(buttons):
            for col, btn_label in enumerate(btn_row):
                btn = makeFragmentButton()
                btn.setText(btn_label)
                btn.setToolTip("Build %s residue" % btn_label)
                res = btn_label.lower()
                slot = lambda val=None, s=self,r=res: s.attach(r)
                btn.clicked.connect(slot)
                self.protein_layout.addWidget(btn, row, col)

        lab = QtWidgets.QLabel('Secondary Structure:')
        lab_cols = 3
        self.ss_cbox = QtWidgets.QComboBox()
        self.ss_cbox.addItem("Alpha Helix")
        self.ss_cbox.addItem("Beta Sheet (Anti-Parallel)")
        self.ss_cbox.addItem("Beta Sheet (Parallel)")
        self.protein_layout.addWidget(lab, 2, 0, 1, lab_cols)
        self.protein_layout.addWidget(self.ss_cbox, 2, lab_cols, 1, 4)
        self.ss_cbox.currentIndexChanged[int].connect(self.ssIndexChanged)

        buttons = [
            [
              ( "@Atoms:", None, None),
              ( "Fix H", "Fix hydrogens on picked atoms", self.fixH),
              ( "Add H", "Add hydrogens to entire molecule", self.addH),
              ( "Invert", "Invert stereochemistry around pk1 (pk2 and pk3 will remain fixed)", self.invert),
              ( "Delete", "Remove atoms", self.removeAtom),
              ( "Clear", "Delete everything", self.clear),
              ( "@   Charge:", None, None),
              ( " +1 ", "Positive Charge", lambda: self.setCharge(1,"+1")),
              ( "  0 ", "Neutral Charge", lambda: self.setCharge(0,"neutral")),
              ( " -1 ", "Negative Charge", lambda: self.setCharge(-1,"-1")),
            ],
            [
              ( "@Bonds:", None, None),
              ( "Create", "Create bond between pk1 and pk2", self.createBond),
              ( "Delete", "Delete bond between pk1 and pk2", self.deleteBond),
              ( "Cycle", "Cycle bond valence", self.cycleBond),
              ( "  |  ", "Create single bond", lambda: self.setOrder("1", "single")),
              ( " || ", "Create double bond", lambda: self.setOrder("2", "double")),
              ( " ||| ", "Create triple bond", lambda: self.setOrder("3", "triple")),
              ( "Arom", "Create aromatic bond", lambda: self.setOrder("4", "aromatic")),
              ( "@   Model:", None, None),
              ( "Clean", "Cleanup structure", self.clean),
              ( "Sculpt", "Molecular sculpting", self.sculpt),
              ( "Fix", "Fix atom positions", self.fix),
              ( "Rest", "Restrain atom positions", self.rest),
            ],
            [
              ( "$El-stat", "Electrostatics term for 'Clean' action", "clean_electro_mode"),
              ( "@   ", None, None),
              ( "$Bumps", "Show VDW contacts during sculpting", "sculpt_vdw_vis_mode"),
              ( "@   ", None, None),
              ( "#Undo Enabled", "", "suspend_undo"),
              ( "Undo", "Undo last change", self.undo),
              ( "Redo", "Redo last change", self.redo),
            ]
        ]

        for row, btn_row in enumerate(buttons):
            btn_row_layout = QtWidgets.QHBoxLayout()
            self.buttons_layout.addLayout(btn_row_layout)
            for col, bb in enumerate(btn_row):
                btn_label, btn_tooltip, btn_command = bb
                if btn_label[0] == '@':
                    btn = QtWidgets.QLabel(btn_label[1:])
                elif btn_label[0] in ('#', '$'):
                    btn = QtWidgets.QCheckBox(btn_label[1:])
                    setting = btn_command
                    value = self.cmd.get_setting_int(setting)
                    if btn_label[0] == '$':
                        btn.setChecked(bool(value))
                        @btn.toggled.connect
                        def _(checked, n=setting):
                            self.cmd.set(n, checked, quiet=0)
                    else:
                        btn.setChecked(not value)
                        @btn.toggled.connect
                        def _(checked, n=setting):
                            self.cmd.set(n, not checked, quiet=0)
                else:
                    btn = makeFragmentButton()
                    btn.setText(btn_label)
                    btn.clicked.connect(btn_command)
                if btn_tooltip:
                    btn.setToolTip(btn_tooltip)
                btn_row_layout.addWidget(btn)
            btn_row_layout.addStretch()
Exemple #11
0
    def __init__(self, parent, protocol):

        super(Hmmscan_results_window_qt, self).__init__(parent)
        self.protocol = protocol

        self.query_len = len(
            self.protocol.query_element.my_sequence.replace('-', ''))

        #########################
        # Configure the window. #
        #########################

        self.setWindowTitle("HMMSCAN Results")

        # Sets the central widget.
        self.central_widget = QtWidgets.QWidget()
        self.setCentralWidget(self.central_widget)

        # The window has a main vbox layout.
        self.main_vbox = QtWidgets.QVBoxLayout()

        # Parameters used to draw the 'QGraphicsView' widgets for showing domains.
        self.preferred_size_policy = QtWidgets.QSizePolicy(
            QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Preferred)
        self.view_bg_color = "transparent"
        self.full_seq_pen = QtGui.QPen(QtGui.QColor(0, 0, 0, 0), 2)
        self.full_seq_color = "#7f7f7f"
        qcolor = QtGui.QColor(0, 0, 0)
        qcolor.setNamedColor(self.full_seq_color)
        self.full_seq_brush = QtGui.QBrush(qcolor)
        self.font_qcolor = QtGui.QColor(220, 220, 220, 255)
        self.font_size = 7

        ################
        # Upper frame. #
        ################

        self.upper_frame = QtWidgets.QFrame()
        self.upper_frame_layout = QtWidgets.QGridLayout()
        self.upper_frame.setLayout(self.upper_frame_layout)
        self.main_vbox.addWidget(self.upper_frame)

        if 'query_descr' in self.protocol.parsed_res[
                0] and self.protocol.parsed_res[0]['query_descr']:
            labelseq = self.protocol.query_element.my_header  # + '\n' + querydescr
        else:
            try:
                if len(self.protocol.query_element.description) > 79:
                    labelseq = self.protocol.query_element.description[:78] + '...'
                else:
                    labelseq = self.protocol.query_element.description
            except TypeError:
                labelseq = self.protocol.query_element.my_header

        self.upper_frame_title = QtWidgets.QLabel(
            "HMMSCAN search results for " + labelseq)
        self.upper_frame_layout.addWidget(self.upper_frame_title)

        #-------------------------
        # Domain graphics frame. -
        #-------------------------

        # Builds the scene where to draw the domain representations.
        self.canvas_plot_scene = QtWidgets.QGraphicsScene()
        self.canvas_plot_view = QtWidgets.QGraphicsView(self.canvas_plot_scene)
        self.canvas_plot_view.setFixedHeight(120)
        self.canvas_plot_view.setSizePolicy(self.preferred_size_policy)
        self.canvas_plot_view.setStyleSheet("background: %s" %
                                            self.view_bg_color)
        self.upper_frame_layout.addWidget(self.canvas_plot_view)

        # Draw a rectangle with the full sequence.
        self.x_init = 10
        y_init = 95  # 95
        self.domain_y_init = y_init - 7
        self.full_seq_rect_w = 800
        full_seq_rect_h = 10
        self.canvas_plot_scene.addRect(self.x_init, y_init,
                                       self.full_seq_rect_w, full_seq_rect_h,
                                       self.full_seq_pen, self.full_seq_brush)

        # Draw the labels for the N- and C-terminal residues.
        text_offset_y = 15
        text_offset_x = 10
        text_n = self.canvas_plot_scene.addText("1")
        text_n.setPos(self.x_init - text_offset_x, y_init + text_offset_y)
        text_n.setDefaultTextColor(self.font_qcolor)
        text_n.setFont(QtGui.QFont(text_n.font().family(), self.font_size))

        c_label = str(self.query_len)
        text_c = self.canvas_plot_scene.addText(c_label)
        text_offset_x_add = 5
        if len(c_label) > 2:
            text_offset_x_add = 10
        text_c.setPos(
            self.x_init + self.full_seq_rect_w - text_offset_x -
            text_offset_x_add, y_init + text_offset_y)
        text_c.setDefaultTextColor(self.font_qcolor)
        text_c.setFont(QtGui.QFont(text_c.font().family(), self.font_size))

        #################
        # Middle frame. #
        #################

        # Scroll area which contains the widgets, set as the centralWidget.
        self.middle_scroll = QtWidgets.QScrollArea()
        self.main_vbox.addWidget(self.middle_scroll)
        # Widget that contains the collection of Vertical Box.
        self.middle_widget = QtWidgets.QWidget()
        # Scroll area properties.
        self.middle_scroll.setWidgetResizable(True)
        self.middle_scroll.setWidget(self.middle_widget)

        # QFormLayout in the middle frame.
        self.middle_formlayout = QtWidgets.QFormLayout()
        self.middle_widget.setLayout(self.middle_formlayout)

        #-----------------
        # Results frame. -
        #-----------------

        # Set the frame and its layout.
        self.results_frame = QtWidgets.QFrame()
        self.middle_formlayout.addRow(self.results_frame)
        self.results_grid = QtWidgets.QGridLayout()
        self.results_frame.setLayout(self.results_grid)

        # Calls a method which actually displays the similarity searches results.
        self.display_hmmscan_hits()

        # Align the gridded widgets to the left.
        self.results_grid.setAlignment(QtCore.Qt.AlignLeft)
        self.results_grid.setHorizontalSpacing(30)

        #################
        # Bottom frame. #
        #################

        self.main_button = QtWidgets.QPushButton("Submit")
        self.main_button.clicked.connect(
            lambda a=None: self.protocol.hmmer_results_state())
        self.main_vbox.addWidget(self.main_button)
        self.main_button.setFixedWidth(self.main_button.sizeHint().width())

        # Sets the main vertical layout.
        self.central_widget.setLayout(self.main_vbox)
        self.main_vbox.setAlignment(self.main_button, QtCore.Qt.AlignCenter)
Exemple #12
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def new_manager_widget(manager, title):
    dockWidget = QtWidgets.QDockWidget()
    dockWidget.setWindowTitle(title)

    widget = QtWidgets.QWidget()
    layout = QtWidgets.QVBoxLayout(widget)
    dockWidget.setWidget(widget)
    widget.setLayout(layout)

    model = QtGui.QStandardItemModel(0, 1, widget)

    tree = QtWidgets.QTreeView(widget)
    tree.setModel(model)
    tree.setHeaderHidden(True)

    current_key = None

    def update_treeview():
        model.clear()
        for key in manager.get_keys():
            item = QtGui.QStandardItem()
            item.setText(key)
            model.blockSignals(True)
            model.appendRow(item)
            model.blockSignals(False)

    @model.rowsInserted.connect
    def onRowsInserted(index):
        key = model.itemFromIndex(index).text()
        store_view(key)
        update_treeview()

    @model.dataChanged.connect
    def onDataChanged(index):
        new_key = model.itemFromIndex(index).text()
        if new_key == "":
            manager.clear(current_key)
        else:
            manager.rename(current_key, new_key)
        update_treeview()

    @dockWidget.visibilityChanged.connect
    def onVisibilityChanged(visible):
        if not visible:
            return
        update_treeview()

    @tree.clicked.connect
    def onClicked(index):
        nonlocal current_key

        key = model.itemFromIndex(index).text()
        current_key = key

        manager.recall(key)

    storeBtn = QtWidgets.QPushButton("Store", widget)

    @storeBtn.clicked.connect
    def onClicked():
        count = len(manager.get_keys())
        manager.store(f"view{count}")
        update_treeview()

    layout.addWidget(tree)
    layout.addWidget(storeBtn)
    return dockWidget