1 | """ |
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2 | Unit tests for non shape based model (Task 8.2.1) |
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3 | These tests are part of the requirements |
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4 | """ |
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5 | |
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6 | import unittest, time, math |
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7 | from scipy.special import erf,gamma |
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8 | |
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9 | # Disable "missing docstring" complaint |
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10 | # pylint: disable-msg=C0111 |
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11 | # Disable "too many methods" complaint |
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12 | # pylint: disable-msg=R0904 |
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13 | # Disable "could be a function" complaint |
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14 | # pylint: disable-msg=R0201 |
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15 | |
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16 | import scipy |
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17 | class TestGuinier(unittest.TestCase): |
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18 | """ |
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19 | Unit tests for Guinier function |
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20 | |
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21 | F(x) = exp[ [A] + [B]*Q**2 ] |
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22 | |
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23 | The model has two parameters: A and B |
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24 | """ |
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25 | def _func(self, a, b, x): |
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26 | return math.exp(a+b*x**2) |
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27 | |
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28 | def setUp(self): |
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29 | from GuinierModel import GuinierModel |
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30 | self.model= GuinierModel() |
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31 | |
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32 | def test1D(self): |
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33 | self.model.setParam('A', 2.0) |
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34 | self.model.setParam('B', 1.0) |
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35 | |
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36 | self.assertEqual(self.model.run(0.0), math.exp(2.0)) |
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37 | self.assertEqual(self.model.run(2.0), math.exp(2.0+1.0*(2.0)**2)) |
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38 | |
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39 | def test2D(self): |
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40 | self.model.setParam('A', 2.0) |
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41 | self.model.setParam('B', 1.0) |
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42 | |
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43 | value = self._func(2.0, 1.0, 1.0)*self._func(2.0, 1.0, 2.0) |
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44 | self.assertEqual(self.model.runXY([0.0,0.0]), math.exp(2.0)*math.exp(2.0)) |
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45 | self.assertEqual(self.model.runXY([1.0,2.0]), value) |
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46 | |
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47 | def test2Dphi(self): |
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48 | self.model.setParam('A', 2.0) |
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49 | self.model.setParam('B', 1.0) |
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50 | |
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51 | x = 1.0 |
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52 | y = 2.0 |
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53 | r = math.sqrt(x**2 + y**2) |
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54 | phi = math.atan2(y, x) |
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55 | |
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56 | value = self._func(2.0, 1.0, x)*self._func(2.0, 1.0, y) |
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57 | |
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58 | #self.assertEqual(self.model.run([r, phi]), value) |
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59 | self.assertAlmostEquals(self.model.run([r, phi]), value,1) |
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60 | |
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61 | |
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62 | class TestPorod(unittest.TestCase): |
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63 | """ |
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64 | Unit tests for Porod function |
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65 | |
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66 | F(x) = exp[ [C]/Q**4 ] |
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67 | |
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68 | The model has one parameter: C |
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69 | """ |
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70 | def _func(self, c, x): |
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71 | return math.exp(c/(x*x*x*x)) |
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72 | |
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73 | def setUp(self): |
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74 | from PorodModel import PorodModel |
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75 | self.model= PorodModel() |
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76 | self.model.setParam('c', 2.0) |
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77 | |
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78 | def test1D(self): |
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79 | value = self._func(2.0, 3.0) |
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80 | self.assertEqual(self.model.run(3.0), value) |
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81 | |
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82 | def test2D(self): |
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83 | value = self._func(2.0, 1.0)*self._func(2.0, 2.0) |
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84 | self.assertEqual(self.model.runXY([1.0,2.0]), value) |
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85 | |
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86 | def test2Dphi(self): |
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87 | x = 1.0 |
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88 | y = 2.0 |
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89 | r = math.sqrt(x**2 + y**2) |
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90 | phi = math.atan2(y, x) |
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91 | |
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92 | value = self._func(2.0, 1.0)*self._func(2.0, 2.0) |
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93 | self.assertAlmostEquals(self.model.run([r, phi]), value,1) |
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94 | |
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95 | class TestDebye(unittest.TestCase): |
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96 | """ |
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97 | Unit tests for Debye function |
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98 | |
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99 | F(x) = 2( exp(-x)+x -1 )/x**2 |
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100 | |
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101 | The model has three parameters: |
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102 | Rg = radius of gyration |
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103 | scale = scale factor |
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104 | bkd = Constant background |
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105 | """ |
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106 | def _func(self, Rg, scale, bkg, x): |
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107 | y = (Rg * x)**2 |
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108 | return scale * (2*(math.exp(-y) + y -1)/y**2) + bkg |
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109 | |
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110 | def setUp(self): |
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111 | from DebyeModel import DebyeModel |
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112 | self.model= DebyeModel() |
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113 | self.model.setParam('Rg', 50.0) |
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114 | self.model.setParam('scale',1.0) |
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115 | self.model.setParam('bkd',0.001) |
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116 | |
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117 | def test1D(self): |
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118 | value = self._func(50.0, 1.0, 0.001, 2.0) |
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119 | self.assertEqual(self.model.run(2.0), value) |
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120 | |
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121 | #user enter zero as a value of x |
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122 | self.assertEqual(self.model.run(0.0),False) |
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123 | |
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124 | |
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125 | def test2D(self): |
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126 | value = self._func(50.0, 1.0, 0.001, 1.0)*self._func(50.0, 1.0, 0.001, 2.0) |
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127 | self.assertEqual(self.model.runXY([1.0,2.0]), value) |
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128 | |
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129 | def test2Dphi(self): |
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130 | x = 1.0 |
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131 | y = 2.0 |
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132 | r = math.sqrt(x**2 + y**2) |
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133 | phi = math.atan2(y, x) |
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134 | |
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135 | value = self._func(50.0, 1.0, 0.001, 1.0)*self._func(50.0, 1.0, 0.001, 2.0) |
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136 | self.assertAlmostEquals(self.model.run([r, phi]), value,1) |
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137 | |
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138 | |
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139 | class TestLorentz(unittest.TestCase): |
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140 | """ |
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141 | Unit tests for Lorentz function |
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142 | |
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143 | F(x) = scale/( 1 + (x*L)^2 ) + bkd |
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144 | |
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145 | The model has three parameters: |
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146 | L = screen Length |
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147 | scale = scale factor |
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148 | bkd = incoherent background |
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149 | """ |
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150 | def _func(self,scale,L,bkd,x): |
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151 | return scale/( 1 + (x*L)**2 ) + bkd |
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152 | def setUp(self): |
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153 | from LorentzModel import LorentzModel |
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154 | self.model= LorentzModel() |
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155 | |
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156 | def test1D(self): |
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157 | self.model.setParam('scale', 100.0) |
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158 | self.model.setParam('L', 50.0) |
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159 | self.model.setParam('bkd', 1.0) |
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160 | |
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161 | self.assertEqual(self.model.run(0.0), 101.0) |
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162 | self.assertEqual(self.model.run(2.0), self._func(100.0, 50.0, 1.0, 2.0)) |
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163 | |
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164 | def test2D(self): |
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165 | self.model.setParam('scale', 100.0) |
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166 | self.model.setParam('L', 50.0) |
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167 | self.model.setParam('bkd', 1.0) |
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168 | |
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169 | value = self._func(100.0, 50.0, 1.0, 1.0)*self._func(100.0, 50.0, 1.0, 2.0) |
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170 | self.assertEqual(self.model.runXY([1.0,2.0]), value) |
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171 | |
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172 | def test2Dphi(self): |
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173 | self.model.setParam('scale', 100.0) |
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174 | self.model.setParam('L', 50.0) |
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175 | self.model.setParam('bkd', 1.0) |
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176 | |
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177 | x = 1.0 |
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178 | y = 2.0 |
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179 | r = math.sqrt(x**2 + y**2) |
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180 | phi = math.atan2(y, x) |
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181 | |
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182 | value = self._func(100.0, 50.0, 1.0, x)*self._func(100.0, 50.0, 1.0, y) |
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183 | self.assertAlmostEquals(self.model.run([r, phi]), value,1) |
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184 | |
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185 | class TestDAB(unittest.TestCase): |
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186 | """ |
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187 | Unit tests for DAB function |
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188 | |
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189 | F(x) = scale/( 1 + (x*L)^2 )^(2) + bkd |
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190 | |
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191 | The model has three parameters: |
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192 | L = Correlation Length |
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193 | scale = scale factor |
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194 | bkd = incoherent background |
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195 | """ |
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196 | def _func(self, a, b,c, x): |
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197 | return a/(( 1 + ( x * b )**2 ))**2 + c |
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198 | |
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199 | def setUp(self): |
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200 | from DABModel import DABModel |
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201 | self.model= DABModel() |
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202 | |
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203 | def test1D(self): |
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204 | self.model.setParam('scale', 10.0) |
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205 | self.model.setParam('L', 40.0) |
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206 | self.model.setParam('bkd', 0.0) |
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207 | |
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208 | self.assertEqual(self.model.run(0.0), 10.0) |
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209 | self.assertEqual(self.model.run(2.0), self._func(10.0, 40.0, 0.0, 2.0)) |
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210 | |
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211 | def test2D(self): |
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212 | self.model.setParam('scale', 10.0) |
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213 | self.model.setParam('L', 40.0) |
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214 | self.model.setParam('bkd', 0.0) |
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215 | |
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216 | value = self._func(10.0, 40.0, 0.0, 1.0)*self._func(10.0, 40.0, 0.0, 2.0) |
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217 | self.assertEqual(self.model.runXY([1.0,2.0]), value) |
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218 | |
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219 | def test2Dphi(self): |
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220 | self.model.setParam('scale', 10.0) |
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221 | self.model.setParam('L', 40.0) |
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222 | self.model.setParam('bkd', 0.0) |
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223 | |
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224 | x = 1.0 |
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225 | y = 2.0 |
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226 | r = math.sqrt(x**2 + y**2) |
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227 | phi = math.atan2(y, x) |
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228 | |
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229 | value = self._func(10.0, 40.0, 0.0, x)*self._func(10.0, 40.0, 0.0, y) |
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230 | self.assertAlmostEquals(self.model.run([r, phi]), value,1) |
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231 | |
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232 | class TestPowerLaw(unittest.TestCase): |
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233 | """ |
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234 | Unit tests for PowerLaw function |
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235 | |
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236 | F(x) = scale* (x)^(m) + bkd |
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237 | |
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238 | The model has three parameters: |
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239 | m = power |
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240 | scale = scale factor |
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241 | bkd = incoherent background |
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242 | """ |
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243 | def _func(self, a, m,c, x): |
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244 | return a*(x )**m + c |
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245 | |
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246 | def setUp(self): |
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247 | from PowerLawModel import PowerLawModel |
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248 | self.model= PowerLawModel() |
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249 | |
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250 | def test1D(self): |
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251 | self.model.setParam('scale', math.exp(-6)) |
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252 | self.model.setParam('m', 4.0) |
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253 | self.model.setParam('bkd', 1.0) |
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254 | |
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255 | self.assertEqual(self.model.run(0.0), 1.0) |
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256 | self.assertEqual(self.model.run(2.0), self._func(math.exp(-6), 4.0, 1.0, 2.0)) |
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257 | |
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258 | def test2D(self): |
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259 | self.model.setParam('scale', math.exp(-6)) |
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260 | self.model.setParam('m', 4.0) |
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261 | self.model.setParam('bkd', 1.0) |
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262 | |
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263 | value = self._func(math.exp(-6), 4.0, 1.0, 1.0)\ |
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264 | *self._func(math.exp(-6), 4.0, 1.0, 2.0) |
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265 | |
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266 | self.assertEqual(self.model.runXY([1.0,2.0]), value) |
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267 | |
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268 | def test2Dphi(self): |
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269 | self.model.setParam('scale', math.exp(-6)) |
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270 | self.model.setParam('m', 4.0) |
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271 | self.model.setParam('bkd', 1.0) |
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272 | |
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273 | x = 1.0 |
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274 | y = 2.0 |
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275 | r = math.sqrt(x**2 + y**2) |
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276 | phi = math.atan2(y, x) |
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277 | |
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278 | value = self._func(math.exp(-6), 4.0, 1.0, x)\ |
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279 | *self._func(math.exp(-6), 4.0, 1.0, y) |
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280 | self.assertAlmostEquals(self.model.run([r, phi]), value,1) |
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281 | |
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282 | class TestTeubnerStrey(unittest.TestCase): |
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283 | """ |
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284 | Unit tests for PowerLaw function |
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285 | |
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286 | F(x) = 1/( scale + c1*(x)^(2)+ c2*(x)^(4)) + bkd |
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287 | |
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288 | The model has Four parameters: |
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289 | scale = scale factor |
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290 | c1 = constant |
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291 | c2 = constant |
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292 | bkd = incoherent background |
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293 | """ |
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294 | def _func(self, a,c1,c2,b, x): |
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295 | return 1/( a + c1*(x)**(2)+ c2*(x)**(4)) + b |
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296 | |
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297 | def setUp(self): |
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298 | from TeubnerStreyModel import TeubnerStreyModel |
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299 | self.model= TeubnerStreyModel() |
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300 | |
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301 | def test1D(self): |
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302 | |
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303 | self.model.setParam('c1', -30.0) |
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304 | self.model.setParam('c2', 5000.0) |
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305 | self.model.setParam('scale', 0.1) |
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306 | self.model.setParam('bkd', 0.1) |
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307 | #self.assertEqual(1/(math.sqrt(4)), math.pow(4,-1/2)) |
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308 | self.assertEqual(self.model.TeubnerStreyLengths(),False ) |
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309 | |
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310 | self.assertEqual(self.model.run(0.0), 10.1) |
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311 | self.assertEqual(self.model.run(2.0), self._func(0.1,-30.0,5000.0,0.1,2.0)) |
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312 | |
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313 | def test2D(self): |
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314 | self.model.setParam('c1', -30.0) |
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315 | self.model.setParam('c2', 5000.0) |
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316 | self.model.setParam('scale', 0.1) |
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317 | self.model.setParam('bkd', 0.1) |
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318 | value = self._func(0.1,-30.0,5000.0,0.1, 1.0)\ |
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319 | *self._func(0.1,-30.0,5000.0,0.1, 2.0) |
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320 | |
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321 | self.assertEqual(self.model.runXY([1.0,2.0]), value) |
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322 | |
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323 | def test2Dphi(self): |
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324 | self.model.setParam('c1', -30.0) |
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325 | self.model.setParam('c2', 5000.0) |
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326 | self.model.setParam('scale', 0.1) |
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327 | self.model.setParam('bkd', 0.1) |
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328 | |
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329 | x = 1.0 |
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330 | y = 2.0 |
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331 | r = math.sqrt(x**2 + y**2) |
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332 | phi = math.atan2(y, x) |
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333 | |
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334 | value = self._func(0.1,-30.0,5000.0,0.1, x)\ |
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335 | *self._func(0.1,-30.0,5000.0,0.1, y) |
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336 | self.assertAlmostEquals(self.model.run([r, phi]), value,1) |
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337 | |
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338 | class TestBEPolyelectrolyte(unittest.TestCase): |
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339 | """ |
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340 | Unit tests for BEPolyelectrolyte function |
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341 | |
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342 | F(x) = K*1/(4*pi()*Lb*(alpha)^(2)*(q^(2)+k2)/(1+(r02)^(2))*(q^(2)+k2)\ |
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343 | *(q^(2)-(12*h*C/b^(2))) |
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344 | |
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345 | The model has Eight parameters: |
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346 | K = Constrast factor of the polymer |
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347 | Lb = Bjerrum length |
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348 | H = virial parameter |
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349 | B = monomer length |
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350 | Cs = Concentration of monovalent salt |
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351 | alpha = ionazation degree |
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352 | C = polymer molar concentration |
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353 | bkd = background |
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354 | """ |
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355 | def _func(self, K, Lb, H, B, Cs, alpha, C, bkd, r02, k2, x): |
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356 | return (K /( (4*math.pi *Lb*(alpha**2)*(x**2 +k2)) *( (1 +(r02**2)) \ |
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357 | *((x**2) + k2)*((x**2) -(12 * H * C/(B**2))) )))+ bkd |
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358 | |
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359 | def setUp(self): |
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360 | from BEPolyelectrolyte import BEPolyelectrolyte |
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361 | self.model= BEPolyelectrolyte() |
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362 | |
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363 | def test1D(self): |
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364 | |
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365 | self.model.setParam('K', 10.0) |
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366 | self.model.setParam('Lb', 7.1) |
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367 | self.model.setParam('H', 12) |
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368 | self.model.setParam('B', 10) |
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369 | self.model.setParam('Cs',0.0) |
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370 | self.model.setParam('alpha', 0.05) |
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371 | self.model.setParam('C', 0.7) |
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372 | self.model.setParam('bkd', 0.001) |
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373 | K2 = 4 * math.pi * 7.1 * (2*0.0 + 0.05*0.7) |
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374 | Ca = 0.7 * 6.022136 * math.exp(-4) |
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375 | r02 =1/(0.05 * math.pow(Ca,0.5)*(10/math.pow((48* math.pi *7.1),0.5))) |
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376 | |
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377 | |
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378 | self.assertEqual(self.model.run(0.0), self._func( 10.0, 7.1, 12,\ |
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379 | 10.0, 0.0,0.05,0.7,0.001, r02, K2, 0.0)) |
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380 | self.assertEqual(self.model.run(2.0), self._func( 10.0, 7.1, 12,\ |
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381 | 10.0, 0.0,0.05,0.7,0.001, r02, K2, 2.0)) |
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382 | |
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383 | def test2D(self): |
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384 | self.model.setParam('K', 10.0) |
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385 | self.model.setParam('Lb', 7.1) |
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386 | self.model.setParam('H', 12) |
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387 | self.model.setParam('B', 10) |
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388 | self.model.setParam('Cs',0.0) |
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389 | self.model.setParam('alpha', 0.05) |
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390 | self.model.setParam('C', 0.7) |
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391 | self.model.setParam('bkd', 0.001) |
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392 | K2 = 4 * math.pi * 7.1 * (2*0.0 + 0.05*0.7) |
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393 | Ca = 0.7 * 6.022136 * math.exp(-4) |
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394 | r02 =1/(0.05 * math.pow(Ca,0.5)*(10/math.pow((48* math.pi *7.1),0.5))) |
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395 | |
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396 | value = self._func(10.0, 7.1, 12, 10.0, 0.0,0.05,0.7,0.001, r02, K2, 1.0)\ |
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397 | *self._func(10.0, 7.1, 12,10.0, 0.0,0.05,0.7,0.001, r02, K2, 2.0) |
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398 | |
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399 | self.assertAlmostEquals(self.model.runXY([1.0,2.0]), value) |
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400 | |
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401 | def test2Dphi(self): |
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402 | self.model.setParam('K', 10.0) |
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403 | self.model.setParam('Lb', 7.1) |
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404 | self.model.setParam('H', 12) |
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405 | self.model.setParam('B', 10) |
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406 | self.model.setParam('Cs',0.0) |
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407 | self.model.setParam('alpha', 0.05) |
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408 | self.model.setParam('C', 0.7) |
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409 | self.model.setParam('bkd', 0.001) |
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410 | K2 = 4 * math.pi * 7.1 * (2*0.0 + 0.05*0.7) |
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411 | Ca = 0.7 * 6.022136 * math.exp(-4) |
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412 | r02 =1/(0.05 * math.pow(Ca,0.5)*(10/math.pow((48* math.pi *7.1),0.5))) |
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413 | |
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414 | x = 1.0 |
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415 | y = 2.0 |
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416 | r = math.sqrt(x**2 + y**2) |
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417 | phi = math.atan2(y, x) |
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418 | |
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419 | value = self._func(10.0, 7.1, 12, 10.0, 0.0,0.05,0.7,0.001, r02, K2, x)\ |
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420 | *self._func(10.0, 7.1, 12, 10.0, 0.0,0.05,0.7,0.001, r02, K2, y) |
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421 | self.assertAlmostEquals(self.model.run([r, phi]), value,1) |
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422 | |
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423 | class TestFractalModel(unittest.TestCase): |
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424 | """ |
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425 | Unit tests for Number Density Fractal function |
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426 | F(x)= P(x)*S(x) + bkd |
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427 | The model has Seven parameters: |
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428 | scale = Volume fraction |
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429 | Radius = Block radius |
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430 | Fdim = Fractal dimension |
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431 | L = correlation Length |
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432 | SDLB = SDL block |
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433 | SDLS = SDL solvent |
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434 | bkd = background |
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435 | """ |
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436 | def _func(self,p,s, bkd, x): |
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437 | return p*s + bkd |
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438 | |
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439 | def setUp(self): |
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440 | from FractalModel import FractalModel |
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441 | self.model= FractalModel() |
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442 | |
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443 | def test1D(self): |
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444 | |
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445 | self.model.setParam('scale', 0.05) |
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446 | self.model.setParam('Radius',5) |
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447 | self.model.setParam('Fdim',2) |
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448 | self.model.setParam('L', 100) |
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449 | self.model.setParam('SDLB',2*math.exp(-6)) |
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450 | self.model.setParam('SDLS', 6.35*math.exp(-6)) |
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451 | self.model.setParam('bkd', 0.0) |
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452 | |
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453 | s= 1 + (math.sin((2 - 1) * math.atan(2.0*100))* 2 * gamma(2-1))\ |
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454 | /( math.pow( (2.0*5),2)*( 1 + 1/math.pow(((2.0**2)*(100**2)),(2-1)/2))) |
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455 | v= (4/3)*math.pi *math.pow(5, 3) |
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456 | f= ( math.sin(2.0*5)-(2.0*5)*math.cos(2.0*5) )/(3*math.pow(2.0*5, 3)) |
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457 | p= 0.05 *(v**2)*(((2*math.exp(-6))-(6.35*math.exp(-6)))**2)*(f**2) |
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458 | |
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459 | self.assertEqual(self.model._scatterRanDom(2.0),p ) |
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460 | self.assertEqual(self.model._Block(2.0),s ) |
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461 | self.assertEqual(self.model.run(2.0),self._func(p,s ,0.0,2.0)) |
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462 | |
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463 | class TestUnifiedPowerLaw(unittest.TestCase): |
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464 | """ |
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465 | Unit tests for Unified PowerLaw function |
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466 | |
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467 | F(x) = bkd + sum(G[i]*exp(-x**2 *Rg[i]**2 /3)) \ |
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468 | + [B[i]( erf(x*Rg[i]/math.sqrt(6)))** (3*p[i])]/x**p[i] ) |
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469 | |
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470 | """ |
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471 | |
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472 | def setUp(self): |
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473 | from UnifiedPowerLaw import UnifiedPowerLawModel |
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474 | self.model= UnifiedPowerLawModel() |
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475 | |
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476 | def _func(self,level,B,Rg,G,Pow,bkd, x): |
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477 | return bkd + (B * math.pow(erf(x *Rg/math.sqrt(6)),3 *Pow))/math.pow(x,Pow) |
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478 | |
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479 | def _Sum (self,level,x): |
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480 | self.sum = 0 |
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481 | for i in xrange(level): |
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482 | self.sum =self.sum +self.model.getParam('G'+str(i+1))*math.exp(-(x**2)*\ |
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483 | (self.model.getParam('Rg'+str(i+1))**2)/3) |
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484 | return self.sum |
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485 | |
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486 | def test1D(self): |
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487 | |
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488 | |
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489 | self.model.setParam('bkd', 0.0) |
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490 | #setValueParam(self,level,Bvalue,Rgvalue,Gvalue,Pvalue) |
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491 | self.model.setValueParam(1,2,1,2,5) |
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492 | self.model.setValueParam(2,3,12,8,9) |
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493 | self.model.setValueParam(3,0,2,3,2) |
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494 | self.model.setValueParam(4,1,4,1,-1) |
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495 | self.model.setValueParam(5,1,4,1,-2) |
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496 | |
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497 | self.assertEqual(self.model.getValue('P',1),5) |
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498 | self.assertEqual(self.model.getValue('Rg',2),12) |
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499 | |
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500 | value1 = self._func(1,2,1,2,5,0.0,1.0)+self._Sum(5,1.0) |
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501 | value2 = self._func(2,3,12,8,9,0.0,1.0)+self._Sum(5,1.0) |
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502 | value3 = self._func(3,0,2,3,2,0.0,1.0)+self._Sum(5,1.0) |
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503 | value4 = self._func(4,1,4,1,-1,0.0,1.0)+self._Sum(5,1.0) |
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504 | value5 = self._func(5,1,4,1,-2,0.0,1.0)+self._Sum(5,1.0) |
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505 | self.assertEqual(self.model.run(1,1.0), value1) |
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506 | self.assertEqual(self.model.run(2,1.0), value2) |
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507 | self.assertEqual(self.model.run(3,1.0), value3) |
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508 | self.assertEqual(self.model.run(4,1.0), value4) |
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509 | self.assertEqual(self.model.run(5,1.0), value5) |
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510 | |
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511 | |
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512 | |
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513 | |
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514 | if __name__ == '__main__': |
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515 | unittest.main() |
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