Source Code for Module test_suite.system_tests.noe

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2006-2011 Edward d'Auvergne                                   # 
 4  #                                                                             # 
 5  # This file is part of the program relax.                                     # 
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 7  # relax is free software; you can redistribute it and/or modify               # 
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21  ############################################################################### 
22   
23  # Python module imports. 
24  from os import sep 
25   
26  # relax module imports. 
27  from base_classes import SystemTestCase 
28  from data import Relax_data_store; ds = Relax_data_store() 
29  from generic_fns.mol_res_spin import spin_loop 
30  from status import Status; status = Status() 
31   
32   
33 -class Noe(SystemTestCase): 
34      """Class for testing various aspects specific to the NOE analysis.""" 
35   
36 -    def setUp(self): 
37          """Set up for all the functional tests.""" 
38   
39          # Create the data pipe. 
40          self.interpreter.pipe.create('noe', 'noe') 
41   
42   
43 -    def test_noe_analysis(self): 
44          """Test the NOE analysis.""" 
45   
46          # Execute the script. 
47          self.script_exec(status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'noe.py') 
48   
49          # The real data. 
50          sat = [5050.0, 51643.0, 53663.0] 
51          ref = [148614.0, 166842.0, 128690.0] 
52          noe = [0.033980647852826784, 0.30953237194471417, 0.4169943274535706] 
53          noe_err = [0.02020329903276632, 0.2320024671657343, 0.026067523940084526] 
54   
55          # Check the data. 
56          i = 0 
57          for spin in spin_loop(): 
58              # Skip deselected spins. 
59              if not spin.select: 
60                  continue 
61   
62              # Check the intensity data. 
63              self.assertEqual(sat[i], spin.intensities['sat_ave']) 
64              self.assertEqual(ref[i], spin.intensities['ref_ave']) 
65   
66              # Check the NOE data. 
67              self.assertEqual(noe[i], spin.noe) 
68              self.assertEqual(noe_err[i], spin.noe_err) 
69   
70              # Increment the spin index. 
71              i += 1 
72