Source Code for Module test_suite.system_tests.relax_data

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2011 Edward d'Auvergne                                        # 
  4  #                                                                             # 
  5  # This file is part of the program relax.                                     # 
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 21  ############################################################################### 
 22   
 23  # Python module imports. 
 24  from os import sep 
 25   
 26  # relax module imports. 
 27  from base_classes import SystemTestCase 
 28  from generic_fns.mol_res_spin import spin_loop 
 29  from status import Status; status = Status() 
 30   
 31   
 32 -class Relax_data(SystemTestCase): 
 33      """Class for testing various aspects specific to relaxation data back calculation.""" 
 34   
 35 -    def test_back_calc(self): 
 36          """Test the back calculation of relaxation data from model-free results.""" 
 37   
 38          # Load the original state. 
 39          self.interpreter.state.load(state='sphere_trunc', dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'model_free'+sep+'bug_14941_local_tm_global_selection') 
 40   
 41          # Back calculate the relaxation data. 
 42          self.interpreter.relax_data.back_calc() 
 43   
 44          # The actual data. 
 45          ri_data_bc = [{'R2_600': 4.7159538829340821, 'R1_500': 2.4779663389365068, 'NOE_500': 0.51989421750722165, 'R2_500': 4.3440970032224548, 'R1_600': 2.2831801922968129, 'NOE_600': 0.63592506242171432}, 
 46                        {'R2_600': 4.7211287713315739, 'R1_500': 2.5267468751446214, 'NOE_500': 0.57703969243842634, 'R2_500': 4.6185111669453738, 'R1_600': 2.2320234021052801, 'NOE_600': 0.66505178335932991}] 
 47   
 48          # Loop over the spins. 
 49          index = 0 
 50          for spin in spin_loop(): 
 51              # Check the back calculated data. 
 52              self.assertEqual(spin.ri_data_bc, ri_data_bc[index]) 
 53   
 54              # Increment. 
 55              index += 1 
 56   
 57   
 58 -    def test_back_calc_specific(self): 
 59          """Test the back calculation of specific relaxation data from model-free results.""" 
 60   
 61          # Load the original state. 
 62          self.interpreter.state.load(state='sphere_trunc', dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'model_free'+sep+'bug_14941_local_tm_global_selection') 
 63   
 64          # Back calculate the relaxation data. 
 65          self.interpreter.relax_data.back_calc('NOE_500') 
 66   
 67          # The actual data. 
 68          ri_data_bc = [{'NOE_500': 0.51989421750722165}, 
 69                        {'NOE_500': 0.57703969243842634}] 
 70   
 71          # Loop over the spins. 
 72          index = 0 
 73          for spin in spin_loop(): 
 74              # Check the back calculated data. 
 75              self.assertEqual(spin.ri_data_bc, ri_data_bc[index]) 
 76   
 77              # Increment. 
 78              index += 1 
 79   
 80   
 81 -    def test_back_calc_new(self): 
 82          """Test the back calculation of new relaxation data from model-free results.""" 
 83   
 84          # Load the original state. 
 85          self.interpreter.state.load(state='sphere_trunc', dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'model_free'+sep+'bug_14941_local_tm_global_selection') 
 86   
 87          # Back calculate the relaxation data. 
 88          self.interpreter.relax_data.back_calc('NOE_500.001', ri_type='NOE', frq=500.001e6) 
 89   
 90          # The actual data. 
 91          ri_data_bc = [{'NOE_500.001': 0.52064607759431081}, 
 92                        {'NOE_500.001': 0.57759452179767434}] 
 93   
 94          # Loop over the spins. 
 95          index = 0 
 96          for spin in spin_loop(): 
 97              # Check the back calculated data. 
 98              self.assertEqual(spin.ri_data_bc, ri_data_bc[index]) 
 99   
100              # Increment. 
101              index += 1 
102   
103   
104 -    def test_delete(self): 
105          """Test the relax_data.delete user function, replicating bug #19785.""" 
106   
107          # Execute the script. 
108          self.interpreter.run(script_file=status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'bug_19785_relax_data_delete.py') 
109   
110          # Switch to the first pipe. 
111          self.interpreter.pipe.switch('delete 1') 
112   
113          # Checks. 
114          self.assertEqual(cdp.ri_ids, ['R1_900', 'NOE_900', 'R1_500', 'R2_500', 'NOE_500']) 
115          self.assert_(not cdp.frq.has_key('R2_900')) 
116          self.assert_(not cdp.ri_type.has_key('R2_900')) 
117          for spin in spin_loop(): 
118              self.assert_(not spin.ri_data.has_key('R2_900')) 
119              self.assert_(not spin.ri_data_err.has_key('R2_900')) 
120   
121          # Switch to the second pipe. 
122          self.interpreter.pipe.switch('delete 2') 
123   
124          # Checks. 
125          self.assert_(not hasattr(cdp, 'ri_ids')) 
126          self.assert_(not hasattr(cdp, 'frq')) 
127          self.assert_(not hasattr(cdp, 'ri_type')) 
128          for spin in spin_loop(): 
129              self.assert_(not hasattr(spin, 'ri_data')) 
130              self.assert_(not hasattr(spin, 'ri_data_err')) 
131   
132   
133 -    def test_reset(self): 
134          """Test the relax_data.frq and relax_data.type user functions to reset the data.""" 
135   
136          # Execute the script. 
137          self.interpreter.run(script_file=status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_data_reset.py') 
138   
139          # The data, as it should be. 
140          ids = ['R1_900', 'R2_900', 'NOE_900', 'R1_500', 'R2_500', 'NOE_500'] 
141          frqs = [900100000, 900100000, 900100000, 400100000, 500*1e6, 500*1e6] 
142          types = ['R1', 'R2', 'R2', 'R1', 'R2', 'R2'] 
143   
144          # Checks. 
145          for i in range(len(ids)): 
146              self.assertEqual(cdp.ri_ids[i], ids[i]) 
147              self.assertAlmostEqual(cdp.frq[ids[i]], frqs[i]) 
148              self.assertEqual(cdp.ri_type[ids[i]], types[i]) 
149