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24 from numpy import array, float64, ones, pi, zeros
25 from unittest import TestCase
26
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28 from lib.dispersion.m61b import r1rho_M61b
29
30
32 """Unit tests for the lib.dispersion.m61b relax module."""
33
35 """Set up for all unit tests."""
36
37
38 self.r1rho_prime = 2.5
39
40 self.pA = 0.95
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42 self.dw = 0.5
43 self.kex = 1000.0
44
45 self.r1 = 1.0
46
47 self.spin_lock_nu1 = array([ 1000., 1500., 2000., 2500., 3000., 3500., 4000., 4500., 5000., 5500., 6000.])
48
49 self.theta = array([1.5707963267948966, 1.5707963267948966, 1.5707963267948966, 1.5707963267948966, 1.5707963267948966, 1.5707963267948966, 1.5707963267948966, 1.5707963267948966, 1.5707963267948966, 1.5707963267948966, 1.5707963267948966])
50
51
52 self.sfrq = 599.8908617*1E6
53
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55 self.num_points = 11
56 self.R1rho = zeros(self.num_points, float64)
57
58
60 """Calculate and check the R1rho values."""
61
62
63 phi_ex_scaled, dw_frq, spin_lock_omega1_squared = self.param_conversion(pA=self.pA, dw=self.dw, sfrq=self.sfrq, spin_lock_nu1=self.spin_lock_nu1)
64
65 a = ones([self.num_points])
66
67
68 R1rho = r1rho_M61b(r1rho_prime=self.r1rho_prime*a, pA=self.pA, dw=dw_frq*a, kex=self.kex, spin_lock_fields2=spin_lock_omega1_squared, back_calc=self.R1rho)
69
70
71
72 if self.kex > 1.e5:
73 for i in range(self.num_points):
74 self.assertAlmostEqual(self.R1rho[i], self.r1rho_prime, 2)
75 else:
76 for i in range(self.num_points):
77 self.assertAlmostEqual(self.R1rho[i], self.r1rho_prime)
78
79
81 """Convert the parameters.
82
83 @keyword pA: The population of state A.
84 @type pA: float
85 @keyword dw: The chemical exchange difference between states A and B in ppm.
86 @type dw: float
87 @keyword sfrq: The spin Larmor frequencies in Hz.
88 @type sfrq: float
89 @keyword spin_lock_nu1: The spin-lock field strengths in Hertz.
90 @type spin_lock_nu1: float
91 @return: The parameters {phi_ex_scaled, dw_frq, spin_lock_omega1_squared}.
92 @rtype: tuple of float
93 """
94
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96 pB = 1.0 - pA
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99 frqs = sfrq * 2 * pi
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102 dw_frq = dw * frqs / 1.e6
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105 phi_ex = pA * pB * (dw / 1.e6)**2
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108 phi_ex_scaled = phi_ex * frqs**2
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111 spin_lock_omega1_squared = (2. * pi * spin_lock_nu1)**2
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114 return phi_ex_scaled, dw_frq, spin_lock_omega1_squared
115
116
118 """Test the r1rho_m61b() function for no exchange when dw = 0.0."""
119
120
121 self.dw = 0.0
122
123
124 self.calc_r1rho()
125
126
128 """Test the r1rho_m61b() function for no exchange when pA = 1.0."""
129
130
131 self.pA = 1.0
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134 self.calc_r1rho()
135
136
138 """Test the r1rho_m61b() function for no exchange when kex = 0.0."""
139
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141 self.kex = 0.0
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144 self.calc_r1rho()
145
146
148 """Test the r1rho_m61b() function for no exchange when dw = 0.0 and pA = 1.0."""
149
150
151 self.pA = 1.0
152 self.dw = 0.0
153
154
155 self.calc_r1rho()
156
157
159 """Test the r1rho_m61b() function for no exchange when dw = 0.0 and kex = 0.0."""
160
161
162 self.dw = 0.0
163 self.kex = 0.0
164
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166 self.calc_r1rho()
167
168
170 """Test the r1rho_m61b() function for no exchange when pA = 1.0 and kex = 0.0."""
171
172
173 self.pA = 1.0
174 self.kex = 0.0
175
176
177 self.calc_r1rho()
178
179
181 """Test the r1rho_m61b() function for no exchange when dw = 0.0, pA = 1.0, and kex = 0.0."""
182
183
184 self.dw = 0.0
185 self.kex = 0.0
186
187
188 self.calc_r1rho()
189
190
192 """Test the r1rho_m61b() function for no exchange when kex = 1e20."""
193
194
195 self.kex = 1e20
196
197
198 self.calc_r1rho()
199