Source Code for Module test_suite.system_tests.jw_mapping

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2006 Chris MacRaild                                           # 
 4  # Copyright (C) 2007-2013 Edward d'Auvergne                                   # 
 5  #                                                                             # 
 6  # This file is part of the program relax (http://www.nmr-relax.com).          # 
 7  #                                                                             # 
 8  # This program 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 3 of the License, or           # 
11  # (at your option) any later version.                                         # 
12  #                                                                             # 
13  # This program 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 this program.  If not, see <http://www.gnu.org/licenses/>.       # 
20  #                                                                             # 
21  ############################################################################### 
22   
23  # Python module imports. 
24  from os import sep 
25   
26  # relax module imports. 
27  from data_store import Relax_data_store; ds = Relax_data_store() 
28  from pipe_control.mol_res_spin import residue_loop 
29  from lib.physical_constants import N15_CSA 
30  from status import Status; status = Status() 
31  from test_suite.system_tests.base_classes import SystemTestCase 
32   
33   
34 -class Jw(SystemTestCase): 
35      """Class for testing various aspects specific to reduced spectral density mapping.""" 
36   
37 -    def setUp(self): 
38          """Set up for all the functional tests.""" 
39   
40          # Create the data pipe. 
41          self.interpreter.pipe.create('jw', 'jw') 
42   
43   
44 -    def test_bug_20674_jw_mapping(self): 
45          """Catch U{bug #20674<https://web.archive.org/web/https://gna.org/bugs/?20674>}, but for the J(w) mapping analysis.""" 
46   
47          # Execute the script. 
48          self.script_exec(status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'bug_20674_jw_mapping.py') 
49   
50   
51 -    def test_calc(self): 
52          """The spectral density calculation test.""" 
53   
54          # Execute the script. 
55          self.script_exec(status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'jw_mapping_calc_test.py') 
56   
57          # Correct jw values. 
58          j0 = [4.0703318681008998e-09, 3.7739393907014834e-09] 
59          jwx = [1.8456254300773903e-10, 1.6347516082378241e-10] 
60          jwh = [1.5598167512718012e-12, 2.9480536599037041e-12] 
61   
62          # Loop over residues. 
63          index = 0 
64          for res in residue_loop(): 
65              # Residues -2 and -1 have data. 
66              if res.num == -2 or res.num == -1: 
67                  self.assert_(res.spin[0].select) 
68                  self.assertAlmostEqual(res.spin[0].j0 * 1e9, j0[index] * 1e9) 
69                  self.assertAlmostEqual(res.spin[0].jwh * 1e10, jwh[index] * 1e10) 
70                  self.assertAlmostEqual(res.spin[0].jwx * 1e12, jwx[index] * 1e12) 
71                  index = index + 1 
72   
73              # Other residues have insufficient data. 
74              else: 
75                  self.assert_(not res.spin[0].select) 
76   
77   
78 -    def test_set_value(self): 
79          """The user function value.set().""" 
80   
81          # Execute the script. 
82          self.script_exec(status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'jw_mapping_set_value.py') 
83   
84          # Loop over residues. 
85          for res in residue_loop(): 
86              self.assertAlmostEqual(res.spin[0].csa, N15_CSA) 
87   
88   
89 -    def test_mapping(self): 
90          """Test a complete jw mapping run using a script.""" 
91   
92          # Execute the script. 
93          self.script_exec(status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'jw_mapping.py') 
94