Source Code for Module test_suite.system_tests.generic

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2006-2012 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  # Python module imports. 
24  from os import sep 
25  import sys 
26   
27  # relax module imports. 
28  from base_classes import SystemTestCase 
29  from data import Relax_data_store; ds = Relax_data_store() 
30  from generic_fns import pipes 
31  from status import Status; status = Status() 
32   
33   
34 -class Generic(SystemTestCase): 
35      """Class containing generic tests of relax execution.""" 
36   
37 -    def test_nested_scripting(self): 
38          """Test nested scripting.""" 
39   
40          # Execute the script. 
41          self.interpreter.run(script_file=status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'nested_scripting'+sep+'main.py') 
42   
43          # Check. 
44          self.assertEqual(cdp.nest, ['a', 'b', 'c', 'd']) 
45   
46   
47 -    def test_value_diff(self): 
48          """S2 difference stored in a new data pipe.""" 
49   
50          # Init. 
51          pipe_list = ['orig1', 'orig2', 'new'] 
52          s2 = [0.9, 0.7, None] 
53   
54          # Loop over the data pipes to create and fill. 
55          for i in xrange(3): 
56              # Create the data pipe. 
57              self.interpreter.pipe.create(pipe_list[i], 'mf') 
58   
59              # Load the Lupin Ap4Aase sequence. 
60              self.interpreter.sequence.read(file="Ap4Aase.seq", dir=status.install_path + sep+'test_suite'+sep+'shared_data', res_num_col=1, res_name_col=2) 
61   
62              # Only select residue 8. 
63              self.interpreter.select.spin(spin_id=':8', change_all=True) 
64   
65              # Set the order parameter value. 
66              if s2[i]: 
67                  self.interpreter.value.set(s2[i], 's2', spin_id=':8') 
68   
69          # Get the data pipes. 
70          dp_orig1 = pipes.get_pipe('orig1') 
71          dp_orig2 = pipes.get_pipe('orig2') 
72          dp_new = pipes.get_pipe('new') 
73   
74          # Calculate the difference and assign it to residue 8 (located in position 7). 
75          diff = dp_orig1.mol[0].res[7].spin[0].s2 - dp_orig2.mol[0].res[7].spin[0].s2 
76          self.interpreter.value.set(diff, 's2', spin_id=':8') 
77   
78          # Test if the difference is 0.2! 
79          self.assertAlmostEqual(dp_new.mol[0].res[7].spin[0].s2, 0.2) 
80   
81   
82 -    def test_xh_vector_distribution(self): 
83          """Test the creation of a PDB representation of the distribution of XH bond vectors.""" 
84   
85          # Execute the script. 
86          self.interpreter.run(script_file=status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'xh_vector_dist.py') 
87