1 | #!/usr/bin/env python |
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2 | |
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3 | ############################################################################## |
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4 | # This software was developed by the University of Tennessee as part of the |
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5 | # Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
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6 | # project funded by the US National Science Foundation. |
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7 | # |
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8 | # If you use DANSE applications to do scientific research that leads to |
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9 | # publication, we ask that you acknowledge the use of the software with the |
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10 | # following sentence: |
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11 | # |
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12 | # "This work benefited from DANSE software developed under NSF award DMR-0520547." |
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13 | # |
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14 | # copyright 2008, University of Tennessee |
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15 | ############################################################################## |
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16 | |
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17 | |
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18 | """ |
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19 | Provide functionality for a C extension model |
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20 | |
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21 | :WARNING: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY |
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22 | DO NOT MODIFY THIS FILE, MODIFY ..\c_extensions\onion.h |
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23 | AND RE-RUN THE GENERATOR SCRIPT |
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24 | |
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25 | """ |
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26 | |
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27 | from sans.models.BaseComponent import BaseComponent |
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28 | from sans_extension.c_models import COnionModel |
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29 | import copy |
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30 | |
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31 | def create_OnionModel(): |
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32 | obj = OnionModel() |
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33 | #COnionModel.__init__(obj) is called by OnionModel constructor |
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34 | return obj |
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35 | |
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36 | class OnionModel(COnionModel, BaseComponent): |
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37 | """ |
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38 | Class that evaluates a OnionModel model. |
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39 | This file was auto-generated from ..\c_extensions\onion.h. |
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40 | Refer to that file and the structure it contains |
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41 | for details of the model. |
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42 | List of default parameters: |
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43 | n_shells = 1.0 |
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44 | scale = 1.0 |
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45 | rad_core0 = 200.0 [A] |
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46 | sld_core0 = 1e-006 [1/A^(2)] |
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47 | sld_solv = 6.4e-006 [1/A^(2)] |
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48 | background = 0.0 [1/cm] |
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49 | sld_out_shell1 = 2e-006 [1/A^(2)] |
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50 | sld_out_shell2 = 2.5e-006 [1/A^(2)] |
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51 | sld_out_shell3 = 3e-006 [1/A^(2)] |
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52 | sld_out_shell4 = 3.5e-006 [1/A^(2)] |
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53 | sld_out_shell5 = 4e-006 [1/A^(2)] |
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54 | sld_out_shell6 = 4.5e-006 [1/A^(2)] |
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55 | sld_out_shell7 = 5e-006 [1/A^(2)] |
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56 | sld_out_shell8 = 5.5e-006 [1/A^(2)] |
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57 | sld_out_shell9 = 6e-006 [1/A^(2)] |
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58 | sld_out_shell10 = 6.2e-006 [1/A^(2)] |
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59 | sld_in_shell1 = 1.7e-006 [1/A^(2)] |
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60 | sld_in_shell2 = 2.2e-006 [1/A^(2)] |
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61 | sld_in_shell3 = 2.7e-006 [1/A^(2)] |
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62 | sld_in_shell4 = 3.2e-006 [1/A^(2)] |
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63 | sld_in_shell5 = 3.7e-006 [1/A^(2)] |
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64 | sld_in_shell6 = 4.2e-006 [1/A^(2)] |
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65 | sld_in_shell7 = 4.7e-006 [1/A^(2)] |
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66 | sld_in_shell8 = 5.2e-006 [1/A^(2)] |
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67 | sld_in_shell9 = 5.7e-006 [1/A^(2)] |
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68 | sld_in_shell10 = 6e-006 [1/A^(2)] |
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69 | A_shell1 = 1.0 |
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70 | A_shell2 = 1.0 |
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71 | A_shell3 = 1.0 |
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72 | A_shell4 = 1.0 |
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73 | A_shell5 = 1.0 |
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74 | A_shell6 = 1.0 |
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75 | A_shell7 = 1.0 |
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76 | A_shell8 = 1.0 |
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77 | A_shell9 = 1.0 |
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78 | A_shell10 = 1.0 |
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79 | thick_shell1 = 50.0 [A] |
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80 | thick_shell2 = 50.0 [A] |
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81 | thick_shell3 = 50.0 [A] |
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82 | thick_shell4 = 50.0 [A] |
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83 | thick_shell5 = 50.0 [A] |
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84 | thick_shell6 = 50.0 [A] |
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85 | thick_shell7 = 50.0 [A] |
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86 | thick_shell8 = 50.0 [A] |
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87 | thick_shell9 = 50.0 [A] |
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88 | thick_shell10 = 50.0 [A] |
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89 | func_shell1 = 2.0 |
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90 | func_shell2 = 2.0 |
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91 | func_shell3 = 2.0 |
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92 | func_shell4 = 2.0 |
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93 | func_shell5 = 2.0 |
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94 | func_shell6 = 2.0 |
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95 | func_shell7 = 2.0 |
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96 | func_shell8 = 2.0 |
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97 | func_shell9 = 2.0 |
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98 | func_shell10 = 2.0 |
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99 | |
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100 | """ |
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101 | |
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102 | def __init__(self): |
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103 | """ Initialization """ |
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104 | |
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105 | # Initialize BaseComponent first, then sphere |
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106 | BaseComponent.__init__(self) |
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107 | #apply(COnionModel.__init__, (self,)) |
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108 | COnionModel.__init__(self) |
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109 | |
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110 | ## Name of the model |
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111 | self.name = "OnionModel" |
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112 | ## Model description |
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113 | self.description ="""Form factor of mutishells normalized by the volume. Here each shell is described |
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114 | by an exponential function; |
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115 | I) |
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116 | For A_shell != 0, |
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117 | f(r) = B*exp(A_shell*(r-r_in)/thick_shell)+C |
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118 | where |
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119 | B=(sld_out-sld_in)/(exp(A_shell)-1) |
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120 | C=sld_in-B. |
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121 | Note that in the above case, |
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122 | the function becomes a linear function |
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123 | as A_shell --> 0+ or 0-. |
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124 | II) |
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125 | For the exact point of A_shell == 0, |
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126 | f(r) = sld_in ,i.e., it crosses over flat function |
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127 | Note that the 'sld_out' becaomes NULL in this case. |
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128 | |
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129 | background:background, |
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130 | rad_core0: radius of sphere(core) |
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131 | thick_shell#:the thickness of the shell# |
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132 | sld_core0: the SLD of the sphere |
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133 | sld_solv: the SLD of the solvent |
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134 | sld_shell: the SLD of the shell# |
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135 | A_shell#: the coefficient in the exponential function""" |
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136 | |
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137 | ## Parameter details [units, min, max] |
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138 | self.details = {} |
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139 | self.details['n_shells'] = ['', None, None] |
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140 | self.details['scale'] = ['', None, None] |
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141 | self.details['rad_core0'] = ['[A]', None, None] |
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142 | self.details['sld_core0'] = ['[1/A^(2)]', None, None] |
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143 | self.details['sld_solv'] = ['[1/A^(2)]', None, None] |
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144 | self.details['background'] = ['[1/cm]', None, None] |
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145 | self.details['sld_out_shell1'] = ['[1/A^(2)]', None, None] |
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146 | self.details['sld_out_shell2'] = ['[1/A^(2)]', None, None] |
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147 | self.details['sld_out_shell3'] = ['[1/A^(2)]', None, None] |
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148 | self.details['sld_out_shell4'] = ['[1/A^(2)]', None, None] |
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149 | self.details['sld_out_shell5'] = ['[1/A^(2)]', None, None] |
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150 | self.details['sld_out_shell6'] = ['[1/A^(2)]', None, None] |
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151 | self.details['sld_out_shell7'] = ['[1/A^(2)]', None, None] |
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152 | self.details['sld_out_shell8'] = ['[1/A^(2)]', None, None] |
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153 | self.details['sld_out_shell9'] = ['[1/A^(2)]', None, None] |
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154 | self.details['sld_out_shell10'] = ['[1/A^(2)]', None, None] |
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155 | self.details['sld_in_shell1'] = ['[1/A^(2)]', None, None] |
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156 | self.details['sld_in_shell2'] = ['[1/A^(2)]', None, None] |
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157 | self.details['sld_in_shell3'] = ['[1/A^(2)]', None, None] |
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158 | self.details['sld_in_shell4'] = ['[1/A^(2)]', None, None] |
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159 | self.details['sld_in_shell5'] = ['[1/A^(2)]', None, None] |
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160 | self.details['sld_in_shell6'] = ['[1/A^(2)]', None, None] |
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161 | self.details['sld_in_shell7'] = ['[1/A^(2)]', None, None] |
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162 | self.details['sld_in_shell8'] = ['[1/A^(2)]', None, None] |
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163 | self.details['sld_in_shell9'] = ['[1/A^(2)]', None, None] |
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164 | self.details['sld_in_shell10'] = ['[1/A^(2)]', None, None] |
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165 | self.details['A_shell1'] = ['', None, None] |
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166 | self.details['A_shell2'] = ['', None, None] |
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167 | self.details['A_shell3'] = ['', None, None] |
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168 | self.details['A_shell4'] = ['', None, None] |
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169 | self.details['A_shell5'] = ['', None, None] |
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170 | self.details['A_shell6'] = ['', None, None] |
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171 | self.details['A_shell7'] = ['', None, None] |
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172 | self.details['A_shell8'] = ['', None, None] |
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173 | self.details['A_shell9'] = ['', None, None] |
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174 | self.details['A_shell10'] = ['', None, None] |
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175 | self.details['thick_shell1'] = ['[A]', None, None] |
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176 | self.details['thick_shell2'] = ['[A]', None, None] |
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177 | self.details['thick_shell3'] = ['[A]', None, None] |
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178 | self.details['thick_shell4'] = ['[A]', None, None] |
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179 | self.details['thick_shell5'] = ['[A]', None, None] |
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180 | self.details['thick_shell6'] = ['[A]', None, None] |
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181 | self.details['thick_shell7'] = ['[A]', None, None] |
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182 | self.details['thick_shell8'] = ['[A]', None, None] |
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183 | self.details['thick_shell9'] = ['[A]', None, None] |
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184 | self.details['thick_shell10'] = ['[A]', None, None] |
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185 | self.details['func_shell1'] = ['', None, None] |
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186 | self.details['func_shell2'] = ['', None, None] |
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187 | self.details['func_shell3'] = ['', None, None] |
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188 | self.details['func_shell4'] = ['', None, None] |
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189 | self.details['func_shell5'] = ['', None, None] |
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190 | self.details['func_shell6'] = ['', None, None] |
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191 | self.details['func_shell7'] = ['', None, None] |
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192 | self.details['func_shell8'] = ['', None, None] |
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193 | self.details['func_shell9'] = ['', None, None] |
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194 | self.details['func_shell10'] = ['', None, None] |
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195 | |
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196 | ## fittable parameters |
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197 | self.fixed=['rad_core0.width', 'thick_shell1.width', 'thick_shell2.width', 'thick_shell3.width', 'thick_shell4.width', 'thick_shell5.width', 'thick_shell6.width', 'thick_shell7.width', 'thick_shell8.width', 'thick_shell9.width', 'thick_shell10.width'] |
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198 | |
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199 | ## non-fittable parameters |
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200 | self.non_fittable = [] |
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201 | |
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202 | ## parameters with orientation |
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203 | self.orientation_params = [] |
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204 | |
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205 | def __reduce_ex__(self, proto): |
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206 | """ |
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207 | Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of |
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208 | c model. |
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209 | """ |
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210 | return (create_OnionModel,tuple()) |
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211 | |
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212 | def clone(self): |
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213 | """ Return a identical copy of self """ |
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214 | return self._clone(OnionModel()) |
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215 | |
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216 | |
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217 | def run(self, x=0.0): |
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218 | """ |
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219 | Evaluate the model |
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220 | |
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221 | :param x: input q, or [q,phi] |
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222 | |
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223 | :return: scattering function P(q) |
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224 | |
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225 | """ |
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226 | |
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227 | return COnionModel.run(self, x) |
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228 | |
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229 | def runXY(self, x=0.0): |
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230 | """ |
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231 | Evaluate the model in cartesian coordinates |
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232 | |
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233 | :param x: input q, or [qx, qy] |
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234 | |
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235 | :return: scattering function P(q) |
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236 | |
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237 | """ |
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238 | |
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239 | return COnionModel.runXY(self, x) |
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240 | |
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241 | def evalDistribution(self, x=[]): |
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242 | """ |
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243 | Evaluate the model in cartesian coordinates |
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244 | |
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245 | :param x: input q[], or [qx[], qy[]] |
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246 | |
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247 | :return: scattering function P(q[]) |
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248 | |
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249 | """ |
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250 | return COnionModel.evalDistribution(self, x) |
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251 | |
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252 | def calculate_ER(self): |
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253 | """ |
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254 | Calculate the effective radius for P(q)*S(q) |
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255 | |
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256 | :return: the value of the effective radius |
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257 | |
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258 | """ |
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259 | return COnionModel.calculate_ER(self) |
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260 | |
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261 | def set_dispersion(self, parameter, dispersion): |
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262 | """ |
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263 | Set the dispersion object for a model parameter |
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264 | |
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265 | :param parameter: name of the parameter [string] |
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266 | :param dispersion: dispersion object of type DispersionModel |
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267 | |
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268 | """ |
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269 | return COnionModel.set_dispersion(self, parameter, dispersion.cdisp) |
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270 | |
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271 | |
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272 | # End of file |
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