Source Code for Module test_suite.unit_tests._target_functions.test_n_state_model

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  2  #                                                                             # 
  3  # Copyright (C) 2008-2013 Edward d'Auvergne                                   # 
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  5  # This file is part of the program relax (http://www.nmr-relax.com).          # 
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 20  ############################################################################### 
 21   
 22  # Python module imports. 
 23  from math import pi 
 24  from numpy import array, float64, ones 
 25  from unittest import TestCase 
 26   
 27  # relax module imports. 
 28  from target_functions.n_state_model import N_state_opt 
 29   
 30   
 31 -class Test_n_state_model(TestCase): 
 32      """Unit tests for the target_functions.n_state_model relax module.""" 
 33   
 34 -    def test_func1(self): 
 35          """Unit test 1 of the func() method. 
 36   
 37          The number of states is 2 and the number of tensors is 3.  All states are equi-probable with 
 38          Euler rotations of {0, 0, 0}, hence the reduced tensors should be the same size as the full 
 39          tensors.  The target function is designed to be zero. 
 40          """ 
 41   
 42          # Init vals. 
 43          N = 2 
 44          init_params = array([0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], float64) 
 45          full_tensors = array([1.0, 0.5, 0.0, 0.0, 0.0, 1.0, 0.5, 1.0, 0.0, 0.0, 1.0, 0.5, 0.0, 1.0, 0.0], float64) 
 46          red_data     = array([1.0, 0.5, 0.0, 0.0, 0.0, 1.0, 0.5, 1.0, 0.0, 0.0, 1.0, 0.5, 0.0, 1.0, 0.0], float64) 
 47          err = ones(3*5, float64) 
 48          full_in_ref_frame = [1, 1, 1] 
 49   
 50          # Set up the class. 
 51          model = N_state_opt(model='2-domain', N=2, init_params=init_params, full_tensors=full_tensors, red_data=red_data, red_errors=err, full_in_ref_frame=full_in_ref_frame) 
 52   
 53          # Call the target function 3 times. 
 54          for i in range(3): 
 55              # Target function. 
 56              chi2 = model.func_2domain(init_params) 
 57   
 58              # Test that the chi2 value is zero each time! 
 59              self.assertEqual(chi2, 0.0) 
 60   
 61   
 62 -    def test_func2(self): 
 63          """Unit test 2 of the func() method. 
 64   
 65          The number of states is 2 and the number of tensors is 3.  All states are equi-probable with 
 66          Euler rotations of {0, 0, 0}, hence the reduced tensors should be the same size as the full 
 67          tensors.  The target function is designed to be one. 
 68          """ 
 69   
 70          # Init vals. 
 71          N = 2 
 72          init_params = array([0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], float64) 
 73          full_tensors = array([1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0], float64) 
 74          red_data     = array([1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 1.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0], float64) 
 75          err = ones(3*5, float64) 
 76          full_in_ref_frame = [1, 1, 1] 
 77   
 78          # Set up the class. 
 79          model = N_state_opt(model='2-domain', N=2, init_params=init_params, full_tensors=full_tensors, red_data=red_data, red_errors=err, full_in_ref_frame=full_in_ref_frame) 
 80   
 81          # Call the target function 3 times. 
 82          for i in range(3): 
 83              # Target function. 
 84              chi2 = model.func_2domain(init_params) 
 85   
 86              # Test that the chi2 value is zero each time! 
 87              self.assertEqual(chi2, 1.0) 
 88   
 89   
 90 -    def test_func3(self): 
 91          """Unit test 3 of the func() method. 
 92   
 93          The number of states is 2 and the number of tensors is 3.  The first state has a prob of 1.0 
 94          with Euler rotations of {90, 0, 0}, hence the reduced tensors should be the same size as the full 
 95          tensors but rotated by 90 degrees.  The target function is designed to be zero. 
 96          """ 
 97   
 98          # Init vals. 
 99          N = 2 
100          init_params = array([1.0, -pi/2.0, 0.0, 0.0, 0.0, 0.0, 0.0], float64) 
101          full_tensors = array([1.0, 0.5, 0.0, 0.0, 0.0, 1.0, 0.5, 1.0, 0.0, 0.0, 1.0, 0.5, 0.0, 1.0, 0.0], float64) 
102          red_data     = array([0.5, 1.0, 0.0, 0.0, 0.0, 0.5, 1.0, -1.0, 0.0, 0.0, 0.5, 1.0, 0.0, 0.0, 1.0], float64) 
103          err = ones(3*5, float64) 
104          full_in_ref_frame = [1, 1, 1] 
105   
106          # Set up the class. 
107          model = N_state_opt(model='2-domain', N=2, init_params=init_params, full_tensors=full_tensors, red_data=red_data, red_errors=err, full_in_ref_frame=full_in_ref_frame) 
108   
109          # Call the target function 3 times. 
110          for i in range(3): 
111              # Target function. 
112              chi2 = model.func_2domain(init_params) 
113   
114              # Test that the chi2 value is zero each time! 
115              self.assertAlmostEqual(chi2, 0.0) 
116   
117   
118 -    def test_func4(self): 
119          """Unit test 4 of the func() method. 
120   
121          The number of states is 2 and the number of tensors is 3.  All states are equi-probable with 
122          Euler rotations of {90, 0, 0} for only the first.  The target function is designed to be 
123          zero. 
124          """ 
125   
126          # Init vals. 
127          N = 2 
128          init_params = array([0.5, -pi/2.0, 0.0, 0.0, 0.0, 0.0, 0.0], float64) 
129          full_tensors = array([1.0, 0.5, 0.0, 0.0, 0.0, 1.0, 0.5, 1.0, 0.0, 0.0, 1.0, 0.5, 0.0, 1.0, 0.0], float64) 
130          red_data     = array([0.75, 0.75, 0.0, 0.0, 0.0, 0.75, 0.75, 0.0, 0.0, 0.0, 0.75, 0.75, 0.0, 0.5, 0.5], float64) 
131          err = ones(3*5, float64) 
132          full_in_ref_frame = [1, 1, 1] 
133   
134          # Set up the class. 
135          model = N_state_opt(model='2-domain', N=2, init_params=init_params, full_tensors=full_tensors, red_data=red_data, red_errors=err, full_in_ref_frame=full_in_ref_frame) 
136   
137          # Call the target function 3 times. 
138          for i in range(3): 
139              # Target function. 
140              chi2 = model.func_2domain(init_params) 
141   
142              # Test that the chi2 value is zero each time! 
143              self.assertAlmostEqual(chi2, 0.0) 
144