Source Code for Module test_suite.system_tests.jw_mapping

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2006 Chris MacRaild                                           # 
 4  # Copyright (C) 2007-2012 Edward d'Auvergne                                   # 
 5  #                                                                             # 
 6  # This file is part of the program relax.                                     # 
 7  #                                                                             # 
 8  # relax is free software; you can redistribute it and/or modify               # 
 9  # it under the terms of the GNU General Public License as published by        # 
10  # the Free Software Foundation; either version 2 of the License, or           # 
11  # (at your option) any later version.                                         # 
12  #                                                                             # 
13  # relax is distributed in the hope that it will be useful,                    # 
14  # but WITHOUT ANY WARRANTY; without even the implied warranty of              # 
15  # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the               # 
16  # GNU General Public License for more details.                                # 
17  #                                                                             # 
18  # You should have received a copy of the GNU General Public License           # 
19  # along with relax; if not, write to the Free Software                        # 
20  # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA   # 
21  #                                                                             # 
22  ############################################################################### 
23   
24  # Python module imports. 
25  from os import sep 
26  import sys 
27   
28  # relax module imports. 
29  from base_classes import SystemTestCase 
30  from data import Relax_data_store; ds = Relax_data_store() 
31  from generic_fns.mol_res_spin import residue_loop 
32  from physical_constants import N15_CSA, NH_BOND_LENGTH 
33  from status import Status; status = Status() 
34   
35   
36 -class Jw(SystemTestCase): 
37      """Class for testing various aspects specific to reduced spectral density mapping.""" 
38   
39 -    def setUp(self): 
40          """Set up for all the functional tests.""" 
41   
42          # Create the data pipe. 
43          self.interpreter.pipe.create('jw', 'jw') 
44   
45   
46 -    def test_calc(self): 
47          """The spectral density calculation test.""" 
48   
49          # Execute the script. 
50          self.script_exec(status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'jw_mapping_calc_test.py') 
51   
52          # Correct jw values. 
53          j0 = [4.0703318681008998e-09, 3.7739393907014834e-09] 
54          jwx = [1.8456254300773903e-10, 1.6347516082378241e-10] 
55          jwh = [1.5598167512718012e-12, 2.9480536599037041e-12] 
56   
57          # Loop over residues. 
58          index = 0 
59          for res in residue_loop(): 
60              # Residues -2 and -1 have data. 
61              if res.num == -2 or res.num == -1: 
62                  self.assert_(res.spin[0].select) 
63                  self.assertAlmostEqual(res.spin[0].j0, j0[index]) 
64                  self.assertAlmostEqual(res.spin[0].jwh, jwh[index]) 
65                  self.assertAlmostEqual(res.spin[0].jwx, jwx[index]) 
66                  index = index + 1 
67   
68              # Other residues have insufficient data. 
69              else: 
70                  self.assert_(not res.spin[0].select) 
71   
72   
73 -    def test_set_value(self): 
74          """The user function value.set().""" 
75   
76          # Execute the script. 
77          self.script_exec(status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'jw_mapping_set_value.py') 
78   
79          # Loop over residues. 
80          for res in residue_loop(): 
81              self.assertAlmostEqual(res.spin[0].r, NH_BOND_LENGTH) 
82              self.assertAlmostEqual(res.spin[0].csa, N15_CSA) 
83   
84   
85 -    def test_mapping(self): 
86          """Test a complete jw mapping run using a script.""" 
87   
88          # Execute the script. 
89          self.script_exec(status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'jw_mapping.py') 
90