from os import unlink import numpy as np import ase.gui.ui as ui from ase.gui.i18n import _ from ase.io.pov import get_bondpairs, write_pov pack = error = Help = 42 class Render: texture_list = ['ase2', 'ase3', 'glass', 'simple', 'pale', 'intermediate', 'vmd', 'jmol'] cameras = ['orthographic', 'perspective', 'ultra_wide_angle'] def __init__(self, gui): self.gui = gui self.win = win = ui.Window( _('Render current view in povray ... '), wmtype='utility') win.add(ui.Label(_("Rendering %d atoms.") % len(self.gui.atoms))) guiwidth, guiheight = self.get_guisize() self.width_widget = ui.SpinBox(guiwidth, start=1, end=9999, step=1) self.height_widget = ui.SpinBox(guiheight, start=1, end=9999, step=1) win.add([ui.Label(_('Size')), self.width_widget, ui.Label('⨯'), self.height_widget]) self.linewidth_widget = ui.SpinBox(0.07, start=0.01, end=9.99, step=0.01) win.add([ui.Label(_('Line width')), self.linewidth_widget, ui.Label(_('Ångström'))]) self.constraints_widget = ui.CheckButton(_("Render constraints")) self.cell_widget = ui.CheckButton(_("Render unit cell"), value=True) win.add([self.cell_widget, self.constraints_widget]) formula = gui.atoms.get_chemical_formula(mode='hill') self.basename_widget = ui.Entry(width=30, value=formula, callback=self.update_outputname) win.add([ui.Label(_('Output basename: ')), self.basename_widget]) self.povray_executable = ui.Entry(width=30, value='povray') win.add([ui.Label(_('POVRAY executable')), self.povray_executable]) self.outputname_widget = ui.Label() win.add([ui.Label(_('Output filename: ')), self.outputname_widget]) self.update_outputname() self.texture_widget = ui.ComboBox(labels=self.texture_list, values=self.texture_list) win.add([ui.Label(_('Atomic texture set:')), self.texture_widget]) # complicated texture stuff self.camera_widget = ui.ComboBox(labels=self.cameras, values=self.cameras) self.camera_distance_widget = ui.SpinBox(50.0, -99.0, 99.0, 1.0) win.add([ui.Label(_('Camera type: ')), self.camera_widget]) win.add([ui.Label(_('Camera distance')), self.camera_distance_widget]) # render current frame/all frames self.frames_widget = ui.RadioButtons([_('Render current frame'), _('Render all frames')]) win.add(self.frames_widget) if len(gui.images) == 1: self.frames_widget.buttons[1].widget.configure(state='disabled') self.run_povray_widget = ui.CheckButton(_('Run povray'), True) self.keep_files_widget = ui.CheckButton(_('Keep povray files'), False) self.show_output_widget = ui.CheckButton(_('Show output window'), True) self.transparent = ui.CheckButton(_("Transparent background"), True) win.add(self.transparent) win.add([self.run_povray_widget, self.keep_files_widget, self.show_output_widget]) win.add(ui.Button(_('Render'), self.ok)) def get_guisize(self): win = self.gui.window.win return win.winfo_width(), win.winfo_height() def ok(self, *args): print("Rendering with povray:") _guiwidth, guiheight = self.get_guisize() width = self.width_widget.value height = self.height_widget.value # (Do width/height become inconsistent upon gui resize? Not critical) scale = self.gui.scale * height / guiheight bbox = np.empty(4) size = np.array([width, height]) / scale bbox[0:2] = np.dot(self.gui.center, self.gui.axes[:, :2]) - size / 2 bbox[2:] = bbox[:2] + size plotting_var_settings = { 'bbox': bbox, 'rotation': self.gui.axes, 'show_unit_cell': self.cell_widget.value } povray_settings = { 'display': self.show_output_widget.value, 'transparent': self.transparent.value, 'camera_type': self.camera_widget.value, 'camera_dist': self.camera_distance_widget.value, 'canvas_width': width, 'celllinewidth': self.linewidth_widget.value, 'exportconstraints': self.constraints_widget.value, } multiframe = bool(self.frames_widget.value) if multiframe: assert len(self.gui.images) > 1 if multiframe: frames = range(len(self.gui.images)) else: frames = [self.gui.frame] initial_frame = self.gui.frame for frame in frames: self.gui.set_frame(frame) povray_settings['textures'] = self.get_textures() povray_settings['colors'] = self.gui.get_colors(rgb=True) atoms = self.gui.images.get_atoms(frame) radii_scale = 1 # atom size multiplier # self.gui.config['show_bonds'] is always False if self.gui.window['toggle-show-bonds']: print(" | Building bonds") povray_settings['bondatoms'] = get_bondpairs(atoms) radii_scale = 0.65 # value from draw method of View class filename = self.update_outputname() print(" | Writing files for image", filename, "...") plotting_var_settings['radii'] = radii_scale * \ self.gui.get_covalent_radii() renderer = write_pov( filename, atoms, povray_settings=povray_settings, **plotting_var_settings) if self.run_povray_widget.value: renderer.render( povray_executable=self.povray_executable.value, clean_up=False) if not self.keep_files_widget.value: print(" | Deleting temporary file ", filename) unlink(filename) filename = filename[:-4] + '.ini' print(" | Deleting temporary file ", filename) unlink(filename) self.gui.set_frame(initial_frame) self.update_outputname() def update_outputname(self): tokens = [self.basename_widget.value] movielen = len(self.gui.images) if movielen > 1: ndigits = len(str(movielen)) token = ('{:0' + str(ndigits) + 'd}').format(self.gui.frame) tokens.append(token) tokens.append('pov') fname = '.'.join(tokens) self.outputname_widget.text = fname return fname # if self.movie.get_active(): # while len(movie_index) + len(str(self.iframe)) < len( # str(self.nimages)): # movie_index += '0' # movie_index = '.' + movie_index + str(self.iframe) # name = self.basename.get_text() + movie_index + '.pov' # self.outputname.set_text(name) def get_textures(self): return [self.texture_widget.value] * len(self.gui.atoms) # natoms = len(self.gui.atoms) # textures = natoms * [ # self.texture_list[0] #self.default_texture.get_active()] # ] # for mat in self.materials: # sel = mat[1] # t = self.finish_list[mat[2].get_active()] # if mat[0]: # for n, val in enumerate(sel): # if val: # textures[n] = t # return textures