Source Code for Module test_suite.unit_tests._generic_fns.test_selection

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2007-2011 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  # relax module imports. 
24  from data import Relax_data_store; ds = Relax_data_store() 
25  from generic_fns import selection 
26  from test_suite.unit_tests.base_classes import UnitTestCase 
27   
28   
29 -class Test_selection(UnitTestCase): 
30      """Unit tests for the functions of the 'generic_fns.selection' module.""" 
31   
32 -    def setUp(self): 
33          """Set up some residues and spins for testing their selection and deselection.""" 
34   
35          # Add a data pipe to the data store. 
36          ds.add(pipe_name='orig', pipe_type='mf') 
37   
38          # Name the first molecule. 
39          cdp.mol[0].name = 'Ap4Aase' 
40   
41          # Add a second molecule to the system. 
42          cdp.mol.add_item(mol_name='RNA') 
43   
44          # Add two more residues to the first molecule (and set the residue number of the first). 
45          cdp.mol[0].res[0].num = 1 
46          cdp.mol[0].res.add_item(res_num=2, res_name='Glu') 
47          cdp.mol[0].res.add_item(res_num=4, res_name='Pro') 
48   
49          # Add some spin info to this molecule. 
50          cdp.mol[0].res[0].spin[0].name = 'NH' 
51          cdp.mol[0].res[0].spin[0].num = 60 
52          cdp.mol[0].res[1].spin[0].name = 'NH' 
53          cdp.mol[0].res[1].spin[0].num = 63 
54   
55          # Add one more residue to the second molecule (and set the residue number of the first). 
56          cdp.mol[1].res[0].num = -5 
57          cdp.mol[1].res.add_item(res_num=-4) 
58   
59          # Add a second set of spins to the second molecule (naming the first set first). 
60          cdp.mol[1].res[0].spin[0].name = 'C8' 
61          cdp.mol[1].res[1].spin[0].name = 'C8' 
62          cdp.mol[1].res[0].spin.add_item(spin_name='N5') 
63          cdp.mol[1].res[1].spin.add_item(spin_name='N5') 
64   
65          # Deselect a number of spins. 
66          cdp.mol[0].res[0].spin[0].select = 0 
67          cdp.mol[0].res[2].spin[0].select = 0 
68          cdp.mol[1].res[0].spin[0].select = 0 
69          cdp.mol[1].res[1].spin[1].select = 0 
70   
71   
72 -    def test_reverse(self): 
73          """Test spin system selection reversal. 
74   
75          The function tested is generic_fns.selection.reverse(). 
76          """ 
77   
78          # Reverse the selection. 
79          selection.reverse() 
80   
81          # Test the selection status. 
82          self.assertEqual(cdp.mol[0].res[0].spin[0].select, 1) 
83          self.assertEqual(cdp.mol[0].res[1].spin[0].select, 0) 
84          self.assertEqual(cdp.mol[0].res[2].spin[0].select, 1) 
85          self.assertEqual(cdp.mol[1].res[0].spin[0].select, 1) 
86          self.assertEqual(cdp.mol[1].res[0].spin[1].select, 0) 
87          self.assertEqual(cdp.mol[1].res[1].spin[0].select, 0) 
88          self.assertEqual(cdp.mol[1].res[1].spin[1].select, 1) 
89