예제 #1
0
 def update_results(self, results):
     self.atoms = results.atoms
     self.cavities_center = results.center_cavities
     self.cavities_surface = results.surface_cavities
     self.domains = results.domains
     self.discretization = Discretization(results.atoms.volume,
                                          results.resolution, True)
     self.show_atom_group()
예제 #2
0
 def update_results(self, results):
     self.atoms = results.atoms
     self.cavities_center = results.center_cavities
     self.cavities_surface = results.surface_cavities
     self.domains = results.domains
     self.discretization = Discretization(results.atoms.volume, results.resolution, True)
     self.show_atom_group()
예제 #3
0
class HTMLWindow(QtWidgets.QWidget):
    def __init__(self):
        QtWidgets.QWidget.__init__(self)
        box = QtWidgets.QVBoxLayout()
        self.webview = WebWidget(
            css_filepath='gui/tabs/statistics/templates/style.css')

        self.atoms = None
        self.cavities_center = None
        self.cavities_surface = None
        self.domains = None
        self.discretization = None

        self.tree_list = None
        self.webview.set_gui_html(None)
        self.webview.gui_link_clicked.connect(self.link_clicked)

        box.addWidget(self.webview)
        self.setLayout(box)
        box.setContentsMargins(5, 0, 0, 0)
        self.show()

    def minimumSizeHint(self):
        return QtCore.QSize(150, -1)

    def sizeHint(self):
        return QtCore.QSize(250, -1)

    def link_clicked(self, value):
        '''
        examines the data of the given link by *data* an calls the specific method to render the new HTML page
        :param data: Value of the link clicked in Webview
        :return: None
        '''
        value = value.split("/")
        if value[0] == "surface_cavity":
            self.show_surface_cavity(int(value[1]) - 1)
        elif value[0] == "center_cavity":
            self.show_center_cavity(int(value[1]) - 1)
        elif value[0] == "domain":
            self.show_domain(int(value[1]) - 1)
        elif value[0] == "focus":
            position = [float(value[1]), float(value[2]), float(value[3])]
            self.window().control.visualization.set_focus_on(*position)
            self.window().center.gl_widget.update()
            self.window().center.combo.setCurrentIndex(0)
            self.window().center.gl_stack.setCurrentIndex(0)
        elif value[0] == "atom":
            self.show_atom(int(value[1]))
        elif value[0] == 'hideothers':
            parent = self.parent()
            while parent.parent():
                parent = parent.parent()
            main_window = parent
            view_tab = main_window.view_dock.view_tab
            if value[1] == 'atom':
                atom_index = int(value[2]) - 1
                view_tab.atom_check.indices = [atom_index]
                view_tab.atom_check.selection_checkbox_set_checked(True)
            elif value[1] == 'element':
                element = core.elements.names[int(value[2])]
                visible_atom_indices = []
                for i, element_name in enumerate(self.atoms.elements):
                    if core.elements.names[core.elements.numbers[
                            element_name.upper()]] == element:
                        visible_atom_indices.append(i)
                view_tab.atom_check.indices = visible_atom_indices
                view_tab.atom_check.selection_checkbox_set_checked(True)
            elif value[1] == 'domain':
                domain_index = int(value[2]) - 1
                view_tab.domain_check.indices = [domain_index]
                view_tab.domain_check.selection_checkbox_set_checked(True)
            elif value[1] == 'surface_cavity':
                surface_cavity_index = int(value[2]) - 1
                view_tab.surface_cavity_check.indices = [surface_cavity_index]
                view_tab.surface_cavity_check.selection_checkbox_set_checked(
                    True)
            elif value[1] == 'center_cavity':
                center_cavity_index = int(value[2]) - 1
                view_tab.center_cavity_check.indices = [center_cavity_index]
                view_tab.center_cavity_check.selection_checkbox_set_checked(
                    True)
        elif value[0] == 'addtovisible':
            parent = self.parent()
            while parent.parent():
                parent = parent.parent()
            main_window = parent
            view_tab = main_window.view_dock.view_tab
            if value[1] == 'atom':
                atom_index = int(value[2]) - 1
                view_tab.domain_check.add_indices([atom_index])
            elif value[1] == 'domain':
                domain_index = int(value[2]) - 1
                view_tab.domain_check.add_indices([domain_index])
            elif value[1] == 'surface_cavity':
                surface_cavity_index = int(value[2]) - 1
                view_tab.surface_cavity_check.add_indices(
                    [surface_cavity_index])
            elif value[1] == 'center_cavity':
                center_cavity_index = int(value[2]) - 1
                view_tab.center_cavity_check.add_indices([center_cavity_index])
        elif value[0] == 'showall':
            parent = self.parent()
            while parent.parent():
                parent = parent.parent()
            main_window = parent
            view_tab = main_window.view_dock.view_tab
            if value[1] == 'atoms':
                view_tab.atom_check.setChecked(True)
                view_tab.atom_check.selection_checkbox_set_checked(False)
            if value[1] == 'domains':
                view_tab.domain_check.setChecked(True)
                view_tab.domain_check.selection_checkbox_set_checked(False)
            if value[1] == 'surface_cavities':
                view_tab.surface_cavity_check.setChecked(True)
                view_tab.surface_cavity_check.selection_checkbox_set_checked(
                    False)
            if value[1] == 'center_cavities':
                view_tab.center_cavity_check.setChecked(True)
                view_tab.center_cavity_check.selection_checkbox_set_checked(
                    False)
        elif value[0] == 'recalculate':
            parent = self.parent()
            while parent.parent():
                parent = parent.parent()
            main_window = parent
            file_tab = main_window.file_dock.file_tab
            current_filename, current_frame = file_tab.last_shown_filename_with_frame
            file_tab.calculate({current_filename: [current_frame]})

    def update_results(self, results):
        self.atoms = results.atoms
        self.cavities_center = results.center_cavities
        self.cavities_surface = results.surface_cavities
        self.domains = results.domains
        self.discretization = Discretization(results.atoms.volume,
                                             results.resolution, True)
        self.show_atom_group()

    def show_atom_group(self):
        atom_number = self.atoms.number
        atom_elements = Counter(self.atoms.elements)

        self.webview.set_gui_html(
            render_html_atom_group(atom_number, atom_elements))

    def show_atom(self, index):
        if self.tree_list is not None:
            self.tree_list.select_atom(index)

        #for bond in bonds:
        #    if index not in self.atoms.bonds[bond]:
        #        self.atoms.bonds[bond].append(index)

        atom_name = self.atoms.elements[
            index]  # atom name from periodic systen
        atom_fullname = core.elements.names[core.elements.numbers[
            atom_name.upper()]]  # get full atom name
        atom_color_rgb = core.elements.colors[core.elements.numbers[
            atom_name.upper()]]
        atom_positions = self.atoms.positions[index]
        atom_number = core.elements.numbers[atom_name.upper()]
        covalent_radius = self.atoms.covalence_radii[index]
        cutoff_radius = self.atoms.radii[index]
        bonds = self.atoms.bonds[index]

        #print dir(self.domains[0])

        self.webview.set_gui_html(
            render_html_atom(index, atom_fullname, atom_positions, atom_number,
                             covalent_radius, cutoff_radius, atom_color_rgb,
                             bonds))

    def show_center_cavity_group(self):
        number = 0
        surface_area = 0.0
        volumes = 0.0
        volume_fraction = 0.0
        if self.cavities_center is None:
            self.webview.set_gui_html(
                render_html_cavity_center_group_unknown())
            return
        number = self.cavities_center.number
        for sf in self.cavities_center.surface_areas:
            surface_area += sf
        for vl in self.cavities_center.volumes:
            volumes += vl

        if self.atoms.volume is not None:
            volume_fraction = (volumes / self.atoms.volume.volume) * 100

        self.webview.set_gui_html(
            render_html_cavity_center_group(number, surface_area, volumes,
                                            volume_fraction))

    def show_center_cavity(self, index):
        if self.tree_list is not None:
            self.tree_list.select_center_cavity(index)
        attrs = self._create_attr_getter(self.cavities_center, index)
        data = {}
        data['index'] = index
        data['volume_fraction'] = 0.0
        cavities = attrs.multicavities
        domains = []
        for cavity in cavities:
            domains.append((cavity + 1,
                            self.discretization.discrete_to_continuous(
                                self.domains.centers[cavity])))
        data['domains'] = domains

        data['surface'] = attrs.surface_areas
        data['volume'] = attrs.volumes
        data['mass_center'] = attrs.mass_centers
        data['squared_gyration_radius'] = attrs.squared_gyration_radii
        data['asphericity'] = attrs.asphericities
        data['acylindricity'] = attrs.acylindricities
        data['anisotropy'] = attrs.anisotropies
        data['characteristic_radius'] = attrs.characteristic_radii
        data['is_cyclic'] = index in self.cavities_center.cyclic_area_indices

        if self.atoms.volume is not None:
            data['volume_fraction'] = (data['volume'] /
                                       self.atoms.volume.volume) * 100

        self.webview.set_gui_html(render_html_cavity_center(**data))

    def show_surface_cavity_group(self):
        number = 0
        surface_area = 0.0
        volumes = 0.0
        volume_fraction = 0.0
        if self.cavities_surface is None:
            self.webview.set_gui_html(
                render_html_cavity_surface_group_unknown())
            return
        number = self.cavities_surface.number
        for sf in self.cavities_surface.surface_areas:
            surface_area += sf
        for vl in self.cavities_surface.volumes:
            volumes += vl

        if self.atoms.volume is not None:
            volume_fraction = (volumes / self.atoms.volume.volume) * 100

        self.webview.set_gui_html(
            render_html_cavity_surface_group(number, surface_area, volumes,
                                             volume_fraction))

    def show_surface_cavity(self, index):
        if self.tree_list is not None:
            self.tree_list.select_surface_cavity(index)
        attrs = self._create_attr_getter(self.cavities_surface, index)
        data = {}
        data['index'] = index
        data['volume_fraction'] = 0.0
        cavities = attrs.multicavities
        domains = []
        for cavity in cavities:
            domains.append((cavity + 1,
                            self.discretization.discrete_to_continuous(
                                self.domains.centers[cavity])))
        data['domains'] = domains

        data['surface'] = attrs.surface_areas
        data['volume'] = attrs.volumes
        data['mass_center'] = attrs.mass_centers
        data['squared_gyration_radius'] = attrs.squared_gyration_radii
        data['asphericity'] = attrs.asphericities
        data['acylindricity'] = attrs.acylindricities
        data['anisotropy'] = attrs.anisotropies
        data['characteristic_radius'] = attrs.characteristic_radii
        data['is_cyclic'] = index in self.cavities_surface.cyclic_area_indices

        if self.atoms.volume is not None:
            data['volume_fraction'] = (data['volume'] /
                                       self.atoms.volume.volume) * 100

        self.webview.set_gui_html(render_html_cavity_surface(**data))

    def show_domain_group(self):
        number = 0
        surface = 0.0
        volumes = 0.0
        volume_fraction = 0.0

        if self.domains is None:
            self.webview.set_gui_html(
                render_html_cavity_domain_group_unknown())
            return
        number = self.domains.number
        for sf in self.domains.surface_areas:
            surface += sf
        for vl in self.domains.volumes:
            volumes += vl

        if self.atoms.volume is not None:
            volume_fraction = (volumes / self.atoms.volume.volume) * 100

        self.webview.set_gui_html(
            render_html_cavity_domain_group(number, surface, volumes,
                                            volume_fraction))

    def show_domain(self, index):
        if self.tree_list is not None:
            self.tree_list.select_domain(index)
        attrs = self._create_attr_getter(self.domains, index)
        data = {}
        data['index'] = index
        discrete_center = attrs.centers
        data['center'] = self.discretization.discrete_to_continuous(
            discrete_center)
        data['surface'] = attrs.surface_areas
        data['volume'] = attrs.volumes
        data['volume_fraction'] = 0.0
        data['surface_cavity_index'] = None
        data['center_cavity_index'] = None
        data['mass_center'] = attrs.mass_centers
        data['squared_gyration_radius'] = attrs.squared_gyration_radii
        data['asphericity'] = attrs.asphericities
        data['acylindricity'] = attrs.acylindricities
        data['anisotropy'] = attrs.anisotropies
        data['characteristic_radius'] = attrs.characteristic_radii
        data['is_cyclic'] = index in self.domains.cyclic_area_indices

        if self.atoms.volume is not None:
            data['volume_fraction'] = (data['volume'] /
                                       self.atoms.volume.volume) * 100
        if self.domains is not None and self.cavities_surface is not None:
            for i in range(len(self.cavities_surface.multicavities)):
                if index in self.cavities_surface.multicavities[i]:
                    data['surface_cavity_index'] = i + 1
                    break
        if self.domains is not None and self.cavities_center is not None:
            for i in range(len(self.cavities_center.multicavities)):
                if index in self.cavities_center.multicavities[i]:
                    data['center_cavity_index'] = i + 1
                    break

        self.webview.set_gui_html(render_html_cavity_domain(**data))

    @staticmethod
    def _create_attr_getter(obj, index):
        class AttrGetter(object):
            def __init__(self, obj, index):
                self._obj = obj
                self._index = index

            def __getattr__(self, attr):
                value = getattr(self._obj, attr)
                is_numpy_array = isinstance(value, np.ndarray)
                if ((is_numpy_array and len(value.shape) > 0)
                        or (not is_numpy_array and len(value) > 0)):
                    return value[self._index]
                else:
                    return None

        return AttrGetter(obj, index)
예제 #4
0
class HTMLWindow(QtWidgets.QWidget):

    def __init__(self):
        QtWidgets.QWidget.__init__(self)
        box = QtWidgets.QVBoxLayout()
        self.webview = WebWidget(css_filepath='gui/tabs/statistics/templates/style.css')

        self.atoms = None
        self.cavities_center = None
        self.cavities_surface = None
        self.domains = None
        self.discretization = None

        self.tree_list = None
        self.webview.set_gui_html(None)
        self.webview.gui_link_clicked.connect(self.link_clicked)

        box.addWidget(self.webview)
        self.setLayout(box)
        box.setContentsMargins(5, 0, 0, 0)
        self.show()

    def minimumSizeHint(self):
        return QtCore.QSize(150, -1)

    def sizeHint(self):
        return QtCore.QSize(250, -1)

    def link_clicked(self, value):
        '''
        examines the data of the given link by *data* an calls the specific method to render the new HTML page
        :param data: Value of the link clicked in Webview
        :return: None
        '''
        value = value.split("/")
        if value[0] == "surface_cavity":
            self.show_surface_cavity(int(value[1])-1)
        elif value[0] == "center_cavity":
            self.show_center_cavity(int(value[1])-1)
        elif value[0] == "domain":
            self.show_domain(int(value[1])-1)
        elif value[0] == "focus":
            position = [float(value[1]),float(value[2]),float(value[3])]
            self.window().control.visualization.set_focus_on(*position)
            self.window().center.gl_widget.update()
            self.window().center.combo.setCurrentIndex(0)
            self.window().center.gl_stack.setCurrentIndex(0)
        elif value[0] == "atom":
            self.show_atom(int(value[1]))
        elif value[0] == 'hideothers':
            parent = self.parent()
            while parent.parent():
                parent = parent.parent()
            main_window = parent
            view_tab = main_window.view_dock.view_tab
            if value[1] == 'atom':
                atom_index = int(value[2])-1
                view_tab.atom_check.indices = [atom_index]
                view_tab.atom_check.selection_checkbox_set_checked(True)
            elif value[1] == 'element':
                element = core.elements.names[int(value[2])]
                visible_atom_indices = []
                for i, element_name in enumerate(self.atoms.elements):
                    if core.elements.names[core.elements.numbers[element_name.upper()]] == element:
                        visible_atom_indices.append(i)
                view_tab.atom_check.indices = visible_atom_indices
                view_tab.atom_check.selection_checkbox_set_checked(True)
            elif value[1] == 'domain':
                domain_index = int(value[2])-1
                view_tab.domain_check.indices = [domain_index]
                view_tab.domain_check.selection_checkbox_set_checked(True)
            elif value[1] == 'surface_cavity':
                surface_cavity_index = int(value[2])-1
                view_tab.surface_cavity_check.indices = [surface_cavity_index]
                view_tab.surface_cavity_check.selection_checkbox_set_checked(True)
            elif value[1] == 'center_cavity':
                center_cavity_index = int(value[2])-1
                view_tab.center_cavity_check.indices = [center_cavity_index]
                view_tab.center_cavity_check.selection_checkbox_set_checked(True)
        elif value[0] == 'addtovisible':
            parent = self.parent()
            while parent.parent():
                parent = parent.parent()
            main_window = parent
            view_tab = main_window.view_dock.view_tab
            if value[1] == 'atom':
                atom_index = int(value[2])-1
                view_tab.domain_check.add_indices([atom_index])
            elif value[1] == 'domain':
                domain_index = int(value[2])-1
                view_tab.domain_check.add_indices([domain_index])
            elif value[1] == 'surface_cavity':
                surface_cavity_index = int(value[2])-1
                view_tab.surface_cavity_check.add_indices([surface_cavity_index])
            elif value[1] == 'center_cavity':
                center_cavity_index = int(value[2])-1
                view_tab.center_cavity_check.add_indices([center_cavity_index])
        elif value[0] == 'showall':
            parent = self.parent()
            while parent.parent():
                parent = parent.parent()
            main_window = parent
            view_tab = main_window.view_dock.view_tab
            if value[1] == 'atoms':
                view_tab.atom_check.setChecked(True)
                view_tab.atom_check.selection_checkbox_set_checked(False)
            if value[1] == 'domains':
                view_tab.domain_check.setChecked(True)
                view_tab.domain_check.selection_checkbox_set_checked(False)
            if value[1] == 'surface_cavities':
                view_tab.surface_cavity_check.setChecked(True)
                view_tab.surface_cavity_check.selection_checkbox_set_checked(False)
            if value[1] == 'center_cavities':
                view_tab.center_cavity_check.setChecked(True)
                view_tab.center_cavity_check.selection_checkbox_set_checked(False)
        elif value[0] == 'recalculate':
            parent = self.parent()
            while parent.parent():
                parent = parent.parent()
            main_window = parent
            file_tab = main_window.file_dock.file_tab
            current_filename, current_frame = file_tab.last_shown_filename_with_frame
            file_tab.calculate({current_filename: [current_frame]})

    def update_results(self, results):
        self.atoms = results.atoms
        self.cavities_center = results.center_cavities
        self.cavities_surface = results.surface_cavities
        self.domains = results.domains
        self.discretization = Discretization(results.atoms.volume, results.resolution, True)
        self.show_atom_group()

    def show_atom_group(self):
        atom_number = self.atoms.number
        atom_elements = Counter(self.atoms.elements)

        self.webview.set_gui_html(render_html_atom_group(atom_number, atom_elements))

    def show_atom(self, index):
        if self.tree_list is not None:
            self.tree_list.select_atom(index)

        #for bond in bonds:
        #    if index not in self.atoms.bonds[bond]:
        #        self.atoms.bonds[bond].append(index)

        atom_name = self.atoms.elements[index]           # atom name from periodic systen
        atom_fullname = core.elements.names[core.elements.numbers[atom_name.upper()]]                # get full atom name
        atom_color_rgb = core.elements.colors[core.elements.numbers[atom_name.upper()]]
        atom_positions = self.atoms.positions[index]
        atom_number = core.elements.numbers[atom_name.upper()]
        covalent_radius = self.atoms.covalence_radii[index]
        cutoff_radius = self.atoms.radii[index]
        bonds = self.atoms.bonds[index]


        #print dir(self.domains[0])

        self.webview.set_gui_html(render_html_atom(index, atom_fullname, atom_positions, atom_number, covalent_radius, cutoff_radius, atom_color_rgb, bonds))

    def show_center_cavity_group(self):
        number = 0
        surface_area = 0.0
        volumes = 0.0
        volume_fraction = 0.0
        if self.cavities_center is None:
            self.webview.set_gui_html(render_html_cavity_center_group_unknown())
            return
        number = self.cavities_center.number
        for sf in self.cavities_center.surface_areas:
            surface_area += sf
        for vl in self.cavities_center.volumes:
            volumes += vl

        if self.atoms.volume is not None:
            volume_fraction = (volumes/self.atoms.volume.volume)*100

        self.webview.set_gui_html(render_html_cavity_center_group(number, surface_area, volumes, volume_fraction))

    def show_center_cavity(self, index):
        if self.tree_list is not None:
            self.tree_list.select_center_cavity(index)
        attrs = self._create_attr_getter(self.cavities_center, index)
        data = {}
        data['index'] = index
        data['volume_fraction'] = 0.0
        cavities = attrs.multicavities
        domains = []
        for cavity in cavities:
            domains.append((cavity+1, self.discretization.discrete_to_continuous(self.domains.centers[cavity])))
        data['domains'] = domains

        data['surface'] = attrs.surface_areas
        data['volume'] = attrs.volumes
        data['mass_center'] = attrs.mass_centers
        data['squared_gyration_radius'] = attrs.squared_gyration_radii
        data['asphericity'] = attrs.asphericities
        data['acylindricity'] = attrs.acylindricities
        data['anisotropy'] = attrs.anisotropies
        data['characteristic_radius'] = attrs.characteristic_radii
        data['is_cyclic'] = index in self.cavities_center.cyclic_area_indices

        if self.atoms.volume is not None:
            data['volume_fraction'] = (data['volume']/self.atoms.volume.volume)*100

        self.webview.set_gui_html(render_html_cavity_center(**data))

    def show_surface_cavity_group(self):
        number = 0
        surface_area = 0.0
        volumes = 0.0
        volume_fraction = 0.0
        if self.cavities_surface is None:
            self.webview.set_gui_html(render_html_cavity_surface_group_unknown())
            return
        number = self.cavities_surface.number
        for sf in self.cavities_surface.surface_areas:
            surface_area += sf
        for vl in self.cavities_surface.volumes:
            volumes += vl

        if self.atoms.volume is not None:
            volume_fraction = (volumes/self.atoms.volume.volume)*100

        self.webview.set_gui_html(render_html_cavity_surface_group(number, surface_area, volumes, volume_fraction))

    def show_surface_cavity(self, index):
        if self.tree_list is not None:
            self.tree_list.select_surface_cavity(index)
        attrs = self._create_attr_getter(self.cavities_surface, index)
        data = {}
        data['index'] = index
        data['volume_fraction'] = 0.0
        cavities = attrs.multicavities
        domains = []
        for cavity in cavities:
            domains.append((cavity+1, self.discretization.discrete_to_continuous(self.domains.centers[cavity])))
        data['domains'] = domains

        data['surface'] = attrs.surface_areas
        data['volume'] = attrs.volumes
        data['mass_center'] = attrs.mass_centers
        data['squared_gyration_radius'] = attrs.squared_gyration_radii
        data['asphericity'] = attrs.asphericities
        data['acylindricity'] = attrs.acylindricities
        data['anisotropy'] = attrs.anisotropies
        data['characteristic_radius'] = attrs.characteristic_radii
        data['is_cyclic'] = index in self.cavities_surface.cyclic_area_indices

        if self.atoms.volume is not None:
            data['volume_fraction'] = (data['volume']/self.atoms.volume.volume)*100

        self.webview.set_gui_html(render_html_cavity_surface(**data))

    def show_domain_group(self):
        number = 0
        surface = 0.0
        volumes = 0.0
        volume_fraction = 0.0

        if self.domains is None:
            self.webview.set_gui_html(render_html_cavity_domain_group_unknown())
            return
        number = self.domains.number
        for sf in self.domains.surface_areas:
            surface += sf
        for vl in self.domains.volumes:
            volumes += vl

        if self.atoms.volume is not None:
            volume_fraction = (volumes/self.atoms.volume.volume)*100

        self.webview.set_gui_html(render_html_cavity_domain_group(number, surface, volumes, volume_fraction))

    def show_domain(self, index):
        if self.tree_list is not None:
            self.tree_list.select_domain(index)
        attrs = self._create_attr_getter(self.domains, index)
        data = {}
        data['index'] = index
        discrete_center = attrs.centers
        data['center'] = self.discretization.discrete_to_continuous(discrete_center)
        data['surface'] = attrs.surface_areas
        data['volume'] = attrs.volumes
        data['volume_fraction'] = 0.0
        data['surface_cavity_index'] = None
        data['center_cavity_index'] = None
        data['mass_center'] = attrs.mass_centers
        data['squared_gyration_radius'] = attrs.squared_gyration_radii
        data['asphericity'] = attrs.asphericities
        data['acylindricity'] = attrs.acylindricities
        data['anisotropy'] = attrs.anisotropies
        data['characteristic_radius'] = attrs.characteristic_radii
        data['is_cyclic'] = index in self.domains.cyclic_area_indices

        if self.atoms.volume is not None:
            data['volume_fraction'] = (data['volume']/self.atoms.volume.volume)*100
        if self.domains is not None and self.cavities_surface is not None:
            for i in range(len(self.cavities_surface.multicavities)):
                if index in self.cavities_surface.multicavities[i]:
                    data['surface_cavity_index'] = i+1
                    break
        if self.domains is not None and self.cavities_center is not None:
            for i in range(len(self.cavities_center.multicavities)):
                if index in self.cavities_center.multicavities[i]:
                    data['center_cavity_index'] = i+1
                    break

        self.webview.set_gui_html(render_html_cavity_domain(**data))

    @staticmethod
    def _create_attr_getter(obj, index):
        class AttrGetter(object):
            def __init__(self, obj, index):
                self._obj = obj
                self._index = index

            def __getattr__(self, attr):
                value = getattr(self._obj, attr)
                is_numpy_array = isinstance(value, np.ndarray)
                if ((is_numpy_array and len(value.shape) > 0) or
                    (not is_numpy_array and len(value) > 0)):
                    return value[self._index]
                else:
                    return None

        return AttrGetter(obj, index)