Source Code for Module test_suite.angles

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2006 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               # 
 8  # it under the terms of the GNU General Public License as published by        # 
 9  # the Free Software Foundation; either version 2 of the License, or           # 
10  # (at your option) any later version.                                         # 
11  #                                                                             # 
12  # relax 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 relax; if not, write to the Free Software                        # 
19  # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA   # 
20  #                                                                             # 
21  ############################################################################### 
22   
23  import sys 
24   
25   
26 -class Angles: 
27 -    def __init__(self, relax): 
28          """Class for testing the angle calculation function.""" 
29   
30          self.relax = relax 
31   
32          # The name of the test. 
33          self.name = "The user function angles()" 
34   
35   
36 -    def test(self, run): 
37          """The actual test.""" 
38   
39          # Create the run. 
40          self.relax.interpreter._Run.create(run, 'mf') 
41   
42          # Read a PDB file. 
43          self.relax.interpreter._PDB.pdb(run, file='test.pdb', dir=sys.path[-1] + '/test_suite/data', model=1, heteronuc='N', proton='H') 
44   
45          # Initialise a diffusion tensor. 
46          self.relax.interpreter._Diffusion_tensor.init(run, (1.698e7, 1.417e7, 67.174, -83.718), param_types=3) 
47   
48          # Calculate the angles. 
49          self.relax.interpreter._Angles.angles(run) 
50   
51          # Success. 
52          return 1 
53