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(_('Render current view in povray ... ')) 

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

19 

20 guiwidth, guiheight = self.get_guisize() 

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

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

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

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

25 

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

27 step=0.01) 

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

29 ui.Label(_('Ångström'))]) 

30 

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

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

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

34 

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

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

37 callback=self.update_outputname) 

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

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

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

41 self.outputname_widget = ui.Label() 

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

43 self.update_outputname() 

44 

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

46 values=self.texture_list) 

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

48 self.texture_widget]) 

49 # complicated texture stuff 

50 

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

52 values=self.cameras) 

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

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

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

56 

57 # render current frame/all frames 

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

59 _('Render all frames')]) 

60 win.add(self.frames_widget) 

61 if len(gui.images) == 1: 

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

63 

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

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

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

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

68 win.add(self.transparent) 

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

70 self.show_output_widget]) 

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

72 

73 def get_guisize(self): 

74 win = self.gui.window.win 

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

76 

77 def ok(self, *args): 

78 print("Rendering with povray:") 

79 guiwidth, guiheight = self.get_guisize() 

80 width = self.width_widget.value 

81 height = self.height_widget.value 

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

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

84 bbox = np.empty(4) 

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

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

87 bbox[2:] = bbox[:2] + size 

88 

89 plotting_var_settings = { 

90 'bbox': bbox, 

91 'rotation': self.gui.axes, 

92 'show_unit_cell': self.cell_widget.value 

93 } 

94 

95 povray_settings = { 

96 'display': self.show_output_widget.value, 

97 'transparent': self.transparent.value, 

98 'camera_type': self.camera_widget.value, 

99 'camera_dist': self.camera_distance_widget.value, 

100 'canvas_width': width, 

101 'celllinewidth': self.linewidth_widget.value, 

102 'exportconstraints': self.constraints_widget.value, 

103 } 

104 

105 multiframe = bool(self.frames_widget.value) 

106 if multiframe: 

107 assert len(self.gui.images) > 1 

108 

109 if multiframe: 

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

111 else: 

112 frames = [self.gui.frame] 

113 

114 initial_frame = self.gui.frame 

115 for frame in frames: 

116 self.gui.set_frame(frame) 

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

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

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

120 radii_scale = 1 # atom size multiplier 

121 if self.gui.window['toggle-show-bonds']: # self.gui.config['show_bonds'] is always False 

122 print(" | Building bonds") 

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

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

125 filename = self.update_outputname() 

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

127 plotting_var_settings['radii'] = radii_scale*self.gui.get_covalent_radii() 

128 renderer = write_pov( 

129 filename, atoms, 

130 povray_settings=povray_settings, 

131 **plotting_var_settings) 

132 if self.run_povray_widget.value: 

133 renderer.render(povray_executable=self.povray_executable.value, clean_up=False) 

134 if not self.keep_files_widget.value: 

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

136 unlink(filename) 

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

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

139 unlink(filename) 

140 self.gui.set_frame(initial_frame) 

141 self.update_outputname() 

142 

143 def update_outputname(self): 

144 tokens = [self.basename_widget.value] 

145 movielen = len(self.gui.images) 

146 if movielen > 1: 

147 ndigits = len(str(movielen)) 

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

149 tokens.append(token) 

150 tokens.append('pov') 

151 fname = '.'.join(tokens) 

152 self.outputname_widget.text = fname 

153 return fname 

154 #if self.movie.get_active(): 

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

156 # str(self.nimages)): 

157 # movie_index += '0' 

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

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

160 #self.outputname.set_text(name) 

161 

162 def get_textures(self): 

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

164 #natoms = len(self.gui.atoms) 

165 #textures = natoms * [ 

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

167 #] 

168 #for mat in self.materials: 

169 # sel = mat[1] 

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

171 # if mat[0]: 

172 # for n, val in enumerate(sel): 

173 # if val: 

174 # textures[n] = t 

175 #return textures