orbital_viewer.py 文件源码

def _make_ui_pane(self, hostheight):
        layout = ipy.Layout(width='325px',
                            height=str(int(hostheight.rstrip('px')) - 50) + 'px')
        #element_height = str(int(hostheight.rstrip('px')) - 125) + 'px'
        element_height = None
        # NOTE - element_height was used for the listbox-style orblist.
        #   HOWEVER ipywidgets 6.0 only displays those as a dropdown.
        #   This is therefore disabled until we can display listboxes again. -- AMV 7/16

        # Orbital set selector
        self.status_element = ipy.HTML(layout=ipy.Layout(width='inherit', height='20px'))
        orbtype_label = ipy.Label("Orbital set:")
        self.type_dropdown = ipy.Dropdown(options=list(self.wfn.orbitals.keys()))
        initialtype = 'canonical'
        if initialtype not in self.type_dropdown.options:
            initialtype = next(iter(self.type_dropdown.options.keys()))
        self.type_dropdown.value = initialtype
        self.type_dropdown.observe(self.new_orb_type, 'value')

        # List of orbitals in this set
        orblist_label = ipy.Label("Orbital:")
        self.orblist = ipy.Dropdown(options={None: None},
                                    layout=ipy.Layout(width=layout.width, height=element_height))
        traitlets.link((self.orblist, 'value'), (self, 'current_orbital'))

        # Isovalue selector
        isoval_label = ipy.Label('Isovalue:')
        self.isoval_selector = ipy.FloatSlider(min=0.0, max=0.075,
                                               value=0.01, step=0.00075,
                                               readout_format='.4f',
                                               layout=ipy.Layout(width=layout.width))
        traitlets.link((self.isoval_selector, 'value'), (self, 'isoval'))

        # Opacity selector
        opacity_label = ipy.Label('Opacity:')
        self.opacity_selector = ipy.FloatSlider(min=0.0, max=1.0,
                                               value=0.8, step=0.01,
                                               readout_format='.2f',
                                               layout=ipy.Layout(width=layout.width))
        traitlets.link((self.opacity_selector, 'value'), (self, 'orb_opacity'))

        # Resolution selector
        resolution_label = ipy.Label("Grid resolution:", layout=ipy.Layout(width=layout.width))
        self.orb_resolution = ipy.Text(layout=ipy.Layout(width='75px',
                                                         positioning='bottom'))
        self.orb_resolution.value = str(self.numpoints)
        self.resolution_button = ipy.Button(description='Update resolution')
        self.resolution_button.on_click(self.change_resolution)
        traitlets.directional_link((self, 'numpoints'), (self.orb_resolution, 'value'),
                                   transform=str)

        self.uipane = ipy.VBox([self.status_element,
                                orbtype_label, self.type_dropdown,
                                orblist_label, self.orblist,
                                isoval_label, self.isoval_selector,
                                opacity_label, self.opacity_selector,
                                resolution_label, self.orb_resolution, self.resolution_button])
        self.new_orb_type()
        self.type_dropdown.observe(self.new_orb_type, 'value')
        return self.uipane