Source Code for Module user_functions.angles'

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2003-2012 Edward d'Auvergne                                   # 
 4  #                                                                             # 
 5  # This file is part of the program relax.                                     # 
 6  #                                                                             # 
 7  # relax is free software; you can redistribute it and/or modify               # 
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20  #                                                                             # 
21  ############################################################################### 
22   
23  # Module docstring. 
24  """The angles user function definitions.""" 
25   
26  # relax module imports. 
27  from generic_fns import angles 
28  from graphics import WIZARD_IMAGE_PATH 
29  from user_functions.data import Uf_info; uf_info = Uf_info() 
30  from user_functions.objects import Desc_container 
31   
32   
33  # The user function class. 
34  uf_class = uf_info.add_class('angles') 
35  uf_class.title = "Class containing the function for calculating XH bond angles." 
36  uf_class.menu_text = "&angles" 
37   
38  # The angles.diff_frame user function. 
39  uf = uf_info.add_uf('angles.diff_frame') 
40  uf.title = "Calculate the angles defining the XH bond vector within the diffusion frame." 
41  uf.title_short = "Diffusion frame XH vector angle calculation." 
42  # Description. 
43  uf.desc.append(Desc_container()) 
44  uf.desc[-1].add_paragraph("If the diffusion tensor is isotropic, then nothing will be done.") 
45  uf.desc[-1].add_paragraph("If the diffusion tensor is axially symmetric, then the angle alpha will be calculated for each XH bond vector.") 
46  uf.desc[-1].add_paragraph("If the diffusion tensor is asymmetric, then the three angles will be calculated.") 
47  uf.backend = angles.angle_diff_frame 
48  uf.menu_text = "&diff_frame" 
49  uf.wizard_size = (800, 400) 
50  uf.gui_icon = "oxygen.categories.applications-education" 
51  uf.wizard_height_desc = 250 
52