Source Code for Module test_suite.system_tests.mol_res_spin

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2012-2013 Edward d'Auvergne                                   # 
 4  #                                                                             # 
 5  # This file is part of the program relax (http://www.nmr-relax.com).          # 
 6  #                                                                             # 
 7  # This program 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 3 of the License, or           # 
10  # (at your option) any later version.                                         # 
11  #                                                                             # 
12  # This program 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 this program.  If not, see <http://www.gnu.org/licenses/>.       # 
19  #                                                                             # 
20  ############################################################################### 
21   
22  # Module docstring. 
23  """System tests of the molecule, residue, and spin sequence operators.""" 
24   
25   
26  # Python module imports. 
27  from os import sep 
28   
29  # relax module imports. 
30  from data_store import Relax_data_store; ds = Relax_data_store() 
31  from status import Status; status = Status() 
32  from test_suite.system_tests.base_classes import SystemTestCase 
33   
34   
35 -class Mol_res_spin(SystemTestCase): 
36      """Class for testing the mol_res_spin functions.""" 
37   
38 -    def setUp(self): 
39          """Set up for all the functional tests.""" 
40   
41          # Create the data pipe. 
42          self.interpreter.pipe.create('mf', 'mf') 
43   
44   
45 -    def test_prune_metadata(self): 
46          """Check the proper pruning of the spin ID metadata.""" 
47   
48          # Create a data pipe for all the data. 
49          self.interpreter.pipe.create('CaM N-dom', 'N-state') 
50   
51          # Create some spins. 
52          self.interpreter.spin.create(spin_name='N', spin_num=1, res_name='Gly', res_num=3, mol_name='CaM') 
53          self.interpreter.spin.create(spin_name='H', spin_num=2, res_name='Gly', res_num=3, mol_name='CaM') 
54   
55          # Make sure that certain spin IDs have been removed. 
56          print("The spin ID lookup table:\n%s" % cdp.mol._spin_id_lookup) 
57          self.assertTrue(':3' not in cdp.mol._spin_id_lookup) 
58          self.assertTrue('#CaM' not in cdp.mol._spin_id_lookup) 
59   
60          # Create some more spins. 
61          self.interpreter.spin.create(spin_name='N', spin_num=3, res_name='Gly', res_num=4, mol_name='CaM') 
62          self.interpreter.spin.create(spin_name='H', spin_num=4, res_name='Gly', res_num=4, mol_name='CaM') 
63   
64          # Make sure that certain spin IDs have been removed. 
65          print("The spin ID lookup table:\n%s" % cdp.mol._spin_id_lookup) 
66          self.assertTrue('@N' not in cdp.mol._spin_id_lookup) 
67          self.assertTrue('@H' not in cdp.mol._spin_id_lookup) 
68   
69   
70 -    def test_residue_delete(self): 
71          """Test residue deletion.""" 
72   
73          # Read a PDB file. 
74          self.interpreter.structure.read_pdb(file='sphere.pdb', dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'model_free'+sep+'sphere') 
75   
76          # Load the spins. 
77          self.interpreter.structure.load_spins() 
78   
79          # Test the original sequence data. 
80          self.assertEqual(len(cdp.mol), 1) 
81          self.assertEqual(len(cdp.mol[0].res), 9) 
82   
83          # Delete the first residue. 
84          self.interpreter.residue.delete(res_id='#sphere_mol1:1') 
85   
86          # Test the remaining sequence data. 
87          self.assertEqual(len(cdp.mol), 1) 
88          self.assertEqual(len(cdp.mol[0].res), 8) 
89