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\refl.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 CReflModel |
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29 | import copy |
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30 | |
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31 | class ReflModel(CReflModel, BaseComponent): |
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32 | """ |
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33 | Class that evaluates a ReflModel model. |
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34 | This file was auto-generated from ..\c_extensions\refl.h. |
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35 | Refer to that file and the structure it contains |
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36 | for details of the model. |
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37 | List of default parameters: |
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38 | n_layers = 1.0 |
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39 | scale = 1.0 |
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40 | thick_inter0 = 1.0 [A] |
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41 | func_inter0 = 0.0 |
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42 | sld_sub0 = 2.07e-006 [1/A^(2)] |
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43 | sld_medium = 1e-006 [1/A^(2)] |
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44 | background = 0.0 |
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45 | sld_flat1 = 4e-006 [1/A^(2)] |
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46 | sld_flat2 = 3.5e-006 [1/A^(2)] |
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47 | sld_flat3 = 4e-006 [1/A^(2)] |
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48 | sld_flat4 = 3.5e-006 [1/A^(2)] |
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49 | sld_flat5 = 4e-006 [1/A^(2)] |
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50 | sld_flat6 = 3.5e-006 [1/A^(2)] |
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51 | sld_flat7 = 4e-006 [1/A^(2)] |
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52 | sld_flat8 = 3.5e-006 [1/A^(2)] |
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53 | sld_flat9 = 4e-006 [1/A^(2)] |
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54 | sld_flat10 = 3.5e-006 [1/A^(2)] |
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55 | thick_inter1 = 1.0 [A] |
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56 | thick_inter2 = 1.0 [A] |
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57 | thick_inter3 = 1.0 [A] |
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58 | thick_inter4 = 1.0 [A] |
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59 | thick_inter5 = 1.0 [A] |
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60 | thick_inter6 = 1.0 [A] |
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61 | thick_inter7 = 1.0 [A] |
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62 | thick_inter8 = 1.0 [A] |
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63 | thick_inter9 = 1.0 [A] |
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64 | thick_inter10 = 1.0 [A] |
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65 | thick_flat1 = 10.0 [A] |
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66 | thick_flat2 = 100.0 [A] |
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67 | thick_flat3 = 100.0 [A] |
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68 | thick_flat4 = 100.0 [A] |
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69 | thick_flat5 = 100.0 [A] |
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70 | thick_flat6 = 100.0 [A] |
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71 | thick_flat7 = 100.0 [A] |
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72 | thick_flat8 = 100.0 [A] |
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73 | thick_flat9 = 100.0 [A] |
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74 | thick_flat10 = 100.0 [A] |
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75 | func_inter1 = 0.0 |
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76 | func_inter2 = 0.0 |
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77 | func_inter3 = 0.0 |
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78 | func_inter4 = 0.0 |
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79 | func_inter5 = 0.0 |
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80 | func_inter6 = 0.0 |
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81 | func_inter7 = 0.0 |
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82 | func_inter8 = 0.0 |
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83 | func_inter9 = 0.0 |
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84 | func_inter10 = 0.0 |
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85 | |
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86 | """ |
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87 | |
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88 | def __init__(self): |
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89 | """ Initialization """ |
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90 | |
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91 | # Initialize BaseComponent first, then sphere |
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92 | BaseComponent.__init__(self) |
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93 | CReflModel.__init__(self) |
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94 | |
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95 | ## Name of the model |
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96 | self.name = "ReflModel" |
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97 | ## Model description |
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98 | self.description ="""Form factor of mutishells normalized by the volume. Here each shell is described |
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99 | by an exponential function; |
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100 | I) |
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101 | For A_shell != 0, |
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102 | f(r) = B*exp(A_shell*(r-r_in)/thick_shell)+C |
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103 | where |
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104 | B=(sld_out-sld_in)/(exp(A_shell)-1) |
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105 | C=sld_in-B. |
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106 | Note that in the above case, |
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107 | the function becomes a linear function |
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108 | as A_shell --> 0+ or 0-. |
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109 | II) |
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110 | For the exact point of A_shell == 0, |
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111 | f(r) = sld_in ,i.e., it crosses over flat function |
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112 | Note that the 'sld_out' becaomes NULL in this case. |
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113 | |
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114 | background:background, |
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115 | rad_core: radius of sphere(core) |
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116 | thick_shell#:the thickness of the shell# |
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117 | sld_core: the SLD of the sphere |
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118 | sld_solv: the SLD of the solvent |
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119 | sld_shell: the SLD of the shell# |
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120 | A_shell#: the coefficient in the exponential function""" |
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121 | |
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122 | ## Parameter details [units, min, max] |
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123 | self.details = {} |
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124 | self.details['n_layers'] = ['', None, None] |
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125 | self.details['scale'] = ['', None, None] |
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126 | self.details['thick_inter0'] = ['[A]', None, None] |
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127 | self.details['func_inter0'] = ['', None, None] |
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128 | self.details['sld_sub0'] = ['[1/A^(2)]', None, None] |
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129 | self.details['sld_medium'] = ['[1/A^(2)]', None, None] |
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130 | self.details['background'] = ['', None, None] |
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131 | self.details['sld_flat1'] = ['[1/A^(2)]', None, None] |
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132 | self.details['sld_flat2'] = ['[1/A^(2)]', None, None] |
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133 | self.details['sld_flat3'] = ['[1/A^(2)]', None, None] |
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134 | self.details['sld_flat4'] = ['[1/A^(2)]', None, None] |
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135 | self.details['sld_flat5'] = ['[1/A^(2)]', None, None] |
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136 | self.details['sld_flat6'] = ['[1/A^(2)]', None, None] |
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137 | self.details['sld_flat7'] = ['[1/A^(2)]', None, None] |
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138 | self.details['sld_flat8'] = ['[1/A^(2)]', None, None] |
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139 | self.details['sld_flat9'] = ['[1/A^(2)]', None, None] |
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140 | self.details['sld_flat10'] = ['[1/A^(2)]', None, None] |
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141 | self.details['thick_inter1'] = ['[A]', None, None] |
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142 | self.details['thick_inter2'] = ['[A]', None, None] |
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143 | self.details['thick_inter3'] = ['[A]', None, None] |
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144 | self.details['thick_inter4'] = ['[A]', None, None] |
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145 | self.details['thick_inter5'] = ['[A]', None, None] |
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146 | self.details['thick_inter6'] = ['[A]', None, None] |
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147 | self.details['thick_inter7'] = ['[A]', None, None] |
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148 | self.details['thick_inter8'] = ['[A]', None, None] |
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149 | self.details['thick_inter9'] = ['[A]', None, None] |
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150 | self.details['thick_inter10'] = ['[A]', None, None] |
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151 | self.details['thick_flat1'] = ['[A]', None, None] |
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152 | self.details['thick_flat2'] = ['[A]', None, None] |
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153 | self.details['thick_flat3'] = ['[A]', None, None] |
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154 | self.details['thick_flat4'] = ['[A]', None, None] |
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155 | self.details['thick_flat5'] = ['[A]', None, None] |
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156 | self.details['thick_flat6'] = ['[A]', None, None] |
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157 | self.details['thick_flat7'] = ['[A]', None, None] |
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158 | self.details['thick_flat8'] = ['[A]', None, None] |
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159 | self.details['thick_flat9'] = ['[A]', None, None] |
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160 | self.details['thick_flat10'] = ['[A]', None, None] |
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161 | self.details['func_inter1'] = ['', None, None] |
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162 | self.details['func_inter2'] = ['', None, None] |
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163 | self.details['func_inter3'] = ['', None, None] |
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164 | self.details['func_inter4'] = ['', None, None] |
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165 | self.details['func_inter5'] = ['', None, None] |
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166 | self.details['func_inter6'] = ['', None, None] |
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167 | self.details['func_inter7'] = ['', None, None] |
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168 | self.details['func_inter8'] = ['', None, None] |
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169 | self.details['func_inter9'] = ['', None, None] |
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170 | self.details['func_inter10'] = ['', None, None] |
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171 | |
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172 | ## fittable parameters |
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173 | self.fixed=[] |
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174 | |
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175 | ## non-fittable parameters |
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176 | self.non_fittable=['n_layers', 'func_inter0', 'func_inter1', 'func_inter2', 'func_inter3', 'func_inter4', 'func_inter5', 'func_inter5', 'func_inter7', 'func_inter8', 'func_inter9', 'func_inter10'] |
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177 | |
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178 | ## parameters with orientation |
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179 | self.orientation_params =[] |
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180 | |
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181 | def clone(self): |
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182 | """ Return a identical copy of self """ |
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183 | return self._clone(ReflModel()) |
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184 | |
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185 | def __getstate__(self): |
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186 | """ |
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187 | return object state for pickling and copying |
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188 | """ |
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189 | model_state = {'params': self.params, 'dispersion': self.dispersion, 'log': self.log} |
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190 | |
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191 | return self.__dict__, model_state |
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192 | |
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193 | def __setstate__(self, state): |
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194 | """ |
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195 | create object from pickled state |
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196 | |
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197 | :param state: the state of the current model |
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198 | |
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199 | """ |
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200 | |
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201 | self.__dict__, model_state = state |
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202 | self.params = model_state['params'] |
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203 | self.dispersion = model_state['dispersion'] |
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204 | self.log = model_state['log'] |
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205 | |
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206 | |
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207 | def run(self, x=0.0): |
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208 | """ |
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209 | Evaluate the model |
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210 | |
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211 | :param x: input q, or [q,phi] |
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212 | |
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213 | :return: scattering function P(q) |
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214 | |
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215 | """ |
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216 | |
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217 | return CReflModel.run(self, x) |
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218 | |
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219 | def runXY(self, x=0.0): |
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220 | """ |
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221 | Evaluate the model in cartesian coordinates |
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222 | |
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223 | :param x: input q, or [qx, qy] |
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224 | |
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225 | :return: scattering function P(q) |
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226 | |
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227 | """ |
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228 | |
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229 | return CReflModel.runXY(self, x) |
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230 | |
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231 | def evalDistribution(self, x=[]): |
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232 | """ |
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233 | Evaluate the model in cartesian coordinates |
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234 | |
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235 | :param x: input q[], or [qx[], qy[]] |
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236 | |
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237 | :return: scattering function P(q[]) |
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238 | |
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239 | """ |
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240 | return CReflModel.evalDistribution(self, x) |
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241 | |
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242 | def calculate_ER(self): |
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243 | """ |
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244 | Calculate the effective radius for P(q)*S(q) |
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245 | |
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246 | :return: the value of the effective radius |
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247 | |
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248 | """ |
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249 | return CReflModel.calculate_ER(self) |
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250 | |
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251 | def set_dispersion(self, parameter, dispersion): |
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252 | """ |
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253 | Set the dispersion object for a model parameter |
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254 | |
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255 | :param parameter: name of the parameter [string] |
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256 | :param dispersion: dispersion object of type DispersionModel |
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257 | |
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258 | """ |
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259 | return CReflModel.set_dispersion(self, parameter, dispersion.cdisp) |
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260 | |
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261 | |
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262 | # End of file |
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