Source Code for Module user_functions.angles

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2002-2003,2012 Edward d'Auvergne                              # 
 4  #                                                                             # 
 5  # This file is part of the program relax (http://www.nmr-relax.com).          # 
 6  #                                                                             # 
 7  # This program is free software: you can redistribute it and/or modify        # 
 8  # it under the terms of the GNU General Public License as published by        # 
 9  # the Free Software Foundation, either version 3 of the License, or           # 
10  # (at your option) any later version.                                         # 
11  #                                                                             # 
12  # This program is distributed in the hope that it will be useful,             # 
13  # but WITHOUT ANY WARRANTY; without even the implied warranty of              # 
14  # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the               # 
15  # GNU General Public License for more details.                                # 
16  #                                                                             # 
17  # You should have received a copy of the GNU General Public License           # 
18  # along with this program.  If not, see <http://www.gnu.org/licenses/>.       # 
19  #                                                                             # 
20  ############################################################################### 
21   
22  # Module docstring. 
23  """The angles user function definitions.""" 
24   
25  # relax module imports. 
26  from pipe_control import angles 
27  from user_functions.data import Uf_info; uf_info = Uf_info() 
28  from user_functions.objects import Desc_container 
29   
30   
31  # The user function class. 
32  uf_class = uf_info.add_class('angles') 
33  uf_class.title = "Class containing the function for calculating XH bond angles." 
34  uf_class.menu_text = "&angles" 
35   
36  # The angles.diff_frame user function. 
37  uf = uf_info.add_uf('angles.diff_frame') 
38  uf.title = "Calculate the angles defining the XH bond vector within the diffusion frame." 
39  uf.title_short = "Diffusion frame XH vector angle calculation." 
40  # Description. 
41  uf.desc.append(Desc_container()) 
42  uf.desc[-1].add_paragraph("If the diffusion tensor is isotropic, then nothing will be done.") 
43  uf.desc[-1].add_paragraph("If the diffusion tensor is axially symmetric, then the angle alpha will be calculated for each XH bond vector.") 
44  uf.desc[-1].add_paragraph("If the diffusion tensor is asymmetric, then the three angles will be calculated.") 
45  uf.backend = angles.angle_diff_frame 
46  uf.menu_text = "&diff_frame" 
47  uf.wizard_size = (800, 400) 
48  uf.gui_icon = "oxygen.categories.applications-education" 
49  uf.wizard_height_desc = 250 
50