1from ase.gui.i18n import _ 

2import ase.gui.ui as ui 

3from ase.io.pov import write_pov, get_bondpairs 

4from os import unlink 

5import numpy as np 

6 

7pack = error = Help = 42 

8 

9 

10class Render: 

11 texture_list = ['ase2', 'ase3', 'glass', 'simple', 'pale', 

12 'intermediate', 'vmd', 'jmol'] 

13 cameras = ['orthographic', 'perspective', 'ultra_wide_angle'] 

14 

15 def __init__(self, gui): 

16 self.gui = gui 

17 self.win = win = ui.Window( 

18 _('Render current view in povray ... '), wmtype='utility') 

19 win.add(ui.Label(_("Rendering %d atoms.") % len(self.gui.atoms))) 

20 

21 guiwidth, guiheight = self.get_guisize() 

22 self.width_widget = ui.SpinBox(guiwidth, start=1, end=9999, step=1) 

23 self.height_widget = ui.SpinBox(guiheight, start=1, end=9999, step=1) 

24 win.add([ui.Label(_('Size')), self.width_widget, 

25 ui.Label('⨯'), self.height_widget]) 

26 

27 self.linewidth_widget = ui.SpinBox(0.07, start=0.01, end=9.99, 

28 step=0.01) 

29 win.add([ui.Label(_('Line width')), self.linewidth_widget, 

30 ui.Label(_('Ångström'))]) 

31 

32 self.constraints_widget = ui.CheckButton(_("Render constraints")) 

33 self.cell_widget = ui.CheckButton(_("Render unit cell"), value=True) 

34 win.add([self.cell_widget, self.constraints_widget]) 

35 

36 formula = gui.atoms.get_chemical_formula(mode='hill') 

37 self.basename_widget = ui.Entry(width=30, value=formula, 

38 callback=self.update_outputname) 

39 win.add([ui.Label(_('Output basename: ')), self.basename_widget]) 

40 self.povray_executable = ui.Entry(width=30, value='povray') 

41 win.add([ui.Label(_('POVRAY executable')), self.povray_executable]) 

42 self.outputname_widget = ui.Label() 

43 win.add([ui.Label(_('Output filename: ')), self.outputname_widget]) 

44 self.update_outputname() 

45 

46 self.texture_widget = ui.ComboBox(labels=self.texture_list, 

47 values=self.texture_list) 

48 win.add([ui.Label(_('Atomic texture set:')), 

49 self.texture_widget]) 

50 # complicated texture stuff 

51 

52 self.camera_widget = ui.ComboBox(labels=self.cameras, 

53 values=self.cameras) 

54 self.camera_distance_widget = ui.SpinBox(50.0, -99.0, 99.0, 1.0) 

55 win.add([ui.Label(_('Camera type: ')), self.camera_widget]) 

56 win.add([ui.Label(_('Camera distance')), self.camera_distance_widget]) 

57 

58 # render current frame/all frames 

59 self.frames_widget = ui.RadioButtons([_('Render current frame'), 

60 _('Render all frames')]) 

61 win.add(self.frames_widget) 

62 if len(gui.images) == 1: 

63 self.frames_widget.buttons[1].widget.configure(state='disabled') 

64 

65 self.run_povray_widget = ui.CheckButton(_('Run povray'), True) 

66 self.keep_files_widget = ui.CheckButton(_('Keep povray files'), False) 

67 self.show_output_widget = ui.CheckButton(_('Show output window'), True) 

68 self.transparent = ui.CheckButton(_("Transparent background"), True) 

69 win.add(self.transparent) 

70 win.add([self.run_povray_widget, self.keep_files_widget, 

71 self.show_output_widget]) 

72 win.add(ui.Button(_('Render'), self.ok)) 

73 

74 def get_guisize(self): 

75 win = self.gui.window.win 

76 return win.winfo_width(), win.winfo_height() 

77 

78 def ok(self, *args): 

79 print("Rendering with povray:") 

80 guiwidth, guiheight = self.get_guisize() 

81 width = self.width_widget.value 

82 height = self.height_widget.value 

83 # (Do width/height become inconsistent upon gui resize? Not critical) 

84 scale = self.gui.scale * height / guiheight 

85 bbox = np.empty(4) 

86 size = np.array([width, height]) / scale 

87 bbox[0:2] = np.dot(self.gui.center, self.gui.axes[:, :2]) - size / 2 

88 bbox[2:] = bbox[:2] + size 

89 

90 plotting_var_settings = { 

91 'bbox': bbox, 

92 'rotation': self.gui.axes, 

93 'show_unit_cell': self.cell_widget.value 

94 } 

95 

96 povray_settings = { 

97 'display': self.show_output_widget.value, 

98 'transparent': self.transparent.value, 

99 'camera_type': self.camera_widget.value, 

100 'camera_dist': self.camera_distance_widget.value, 

101 'canvas_width': width, 

102 'celllinewidth': self.linewidth_widget.value, 

103 'exportconstraints': self.constraints_widget.value, 

104 } 

105 

106 multiframe = bool(self.frames_widget.value) 

107 if multiframe: 

108 assert len(self.gui.images) > 1 

109 

110 if multiframe: 

111 frames = range(len(self.gui.images)) 

112 else: 

113 frames = [self.gui.frame] 

114 

115 initial_frame = self.gui.frame 

116 for frame in frames: 

117 self.gui.set_frame(frame) 

118 povray_settings['textures'] = self.get_textures() 

119 povray_settings['colors'] = self.gui.get_colors(rgb=True) 

120 atoms = self.gui.images.get_atoms(frame) 

121 radii_scale = 1 # atom size multiplier 

122 # self.gui.config['show_bonds'] is always False 

123 if self.gui.window['toggle-show-bonds']: 

124 print(" | Building bonds") 

125 povray_settings['bondatoms'] = get_bondpairs(atoms) 

126 radii_scale = 0.65 # value from draw method of View class 

127 filename = self.update_outputname() 

128 print(" | Writing files for image", filename, "...") 

129 plotting_var_settings['radii'] = radii_scale * \ 

130 self.gui.get_covalent_radii() 

131 renderer = write_pov( 

132 filename, atoms, 

133 povray_settings=povray_settings, 

134 **plotting_var_settings) 

135 if self.run_povray_widget.value: 

136 renderer.render( 

137 povray_executable=self.povray_executable.value, 

138 clean_up=False) 

139 if not self.keep_files_widget.value: 

140 print(" | Deleting temporary file ", filename) 

141 unlink(filename) 

142 filename = filename[:-4] + '.ini' 

143 print(" | Deleting temporary file ", filename) 

144 unlink(filename) 

145 self.gui.set_frame(initial_frame) 

146 self.update_outputname() 

147 

148 def update_outputname(self): 

149 tokens = [self.basename_widget.value] 

150 movielen = len(self.gui.images) 

151 if movielen > 1: 

152 ndigits = len(str(movielen)) 

153 token = ('{:0' + str(ndigits) + 'd}').format(self.gui.frame) 

154 tokens.append(token) 

155 tokens.append('pov') 

156 fname = '.'.join(tokens) 

157 self.outputname_widget.text = fname 

158 return fname 

159 # if self.movie.get_active(): 

160 # while len(movie_index) + len(str(self.iframe)) < len( 

161 # str(self.nimages)): 

162 # movie_index += '0' 

163 # movie_index = '.' + movie_index + str(self.iframe) 

164 # name = self.basename.get_text() + movie_index + '.pov' 

165 # self.outputname.set_text(name) 

166 

167 def get_textures(self): 

168 return [self.texture_widget.value] * len(self.gui.atoms) 

169 # natoms = len(self.gui.atoms) 

170 # textures = natoms * [ 

171 # self.texture_list[0] #self.default_texture.get_active()] 

172 # ] 

173 # for mat in self.materials: 

174 # sel = mat[1] 

175 # t = self.finish_list[mat[2].get_active()] 

176 # if mat[0]: 

177 # for n, val in enumerate(sel): 

178 # if val: 

179 # textures[n] = t 

180 # return textures