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from ase.gui.i18n import _
import ase.gui.ui as ui
from ase.io.pov import write_pov, get_bondpairs
from os import unlink
import numpy as np
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 ... '))
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
if self.gui.window['toggle-show-bonds']: # self.gui.config['show_bonds'] is always False
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
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