1 | ############################################################################## |
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2 | # This software was developed by the University of Tennessee as part of the |
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3 | # Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
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4 | # project funded by the US National Science Foundation. |
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5 | # |
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6 | # If you use DANSE applications to do scientific research that leads to |
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7 | # publication, we ask that you acknowledge the use of the software with the |
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8 | # following sentence: |
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9 | # |
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10 | # This work benefited from DANSE software developed under NSF award DMR-0520547 |
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11 | # |
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12 | # Copyright 2008-2011, University of Tennessee |
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13 | ############################################################################## |
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14 | |
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15 | """ |
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16 | Provide functionality for a C extension model |
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17 | |
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18 | .. WARNING:: |
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19 | |
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20 | THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY |
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21 | DO NOT MODIFY THIS FILE, MODIFY |
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22 | src\sans\models\include\corefourshell.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 | from sans.models.BaseComponent import BaseComponent |
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27 | from sans.models.sans_extension.c_models import CCoreFourShellModel |
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28 | |
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29 | def create_CoreFourShellModel(): |
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30 | """ |
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31 | Create a model instance |
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32 | """ |
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33 | obj = CoreFourShellModel() |
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34 | # CCoreFourShellModel.__init__(obj) is called by |
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35 | # the CoreFourShellModel constructor |
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36 | return obj |
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37 | |
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38 | class CoreFourShellModel(CCoreFourShellModel, BaseComponent): |
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39 | """ |
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40 | Class that evaluates a CoreFourShellModel model. |
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41 | This file was auto-generated from src\sans\models\include\corefourshell.h. |
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42 | Refer to that file and the structure it contains |
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43 | for details of the model. |
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44 | |
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45 | List of default parameters: |
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46 | |
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47 | * scale = 1.0 |
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48 | * rad_core0 = 60.0 [A] |
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49 | * sld_core0 = 6.4e-06 [1/A^(2)] |
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50 | * thick_shell1 = 10.0 [A] |
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51 | * sld_shell1 = 1e-06 [1/A^(2)] |
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52 | * thick_shell2 = 10.0 [A] |
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53 | * sld_shell2 = 2e-06 [1/A^(2)] |
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54 | * thick_shell3 = 10.0 [A] |
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55 | * sld_shell3 = 3e-06 [1/A^(2)] |
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56 | * thick_shell4 = 10.0 [A] |
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57 | * sld_shell4 = 4e-06 [1/A^(2)] |
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58 | * sld_solv = 6.4e-06 [1/A^(2)] |
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59 | * background = 0.001 [1/cm] |
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60 | * M0_sld_shell1 = 0.0 [1/A^(2)] |
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61 | * M_theta_shell1 = 0.0 [deg] |
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62 | * M_phi_shell1 = 0.0 [deg] |
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63 | * M0_sld_shell2 = 0.0 [1/A^(2)] |
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64 | * M_theta_shell2 = 0.0 [deg] |
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65 | * M_phi_shell2 = 0.0 [deg] |
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66 | * M0_sld_shell3 = 0.0 [1/A^(2)] |
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67 | * M_theta_shell3 = 0.0 [deg] |
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68 | * M_phi_shell3 = 0.0 [deg] |
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69 | * M0_sld_shell4 = 0.0 [1/A^(2)] |
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70 | * M_theta_shell4 = 0.0 [deg] |
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71 | * M_phi_shell4 = 0.0 [deg] |
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72 | * M0_sld_core0 = 0.0 [1/A^(2)] |
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73 | * M_theta_core0 = 0.0 [deg] |
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74 | * M_phi_core0 = 0.0 [deg] |
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75 | * M0_sld_solv = 0.0 [1/A^(2)] |
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76 | * M_theta_solv = 0.0 [deg] |
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77 | * M_phi_solv = 0.0 [deg] |
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78 | * Up_frac_i = 0.5 [u/(u+d)] |
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79 | * Up_frac_f = 0.5 [u/(u+d)] |
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80 | * Up_theta = 0.0 [deg] |
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81 | |
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82 | """ |
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83 | |
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84 | def __init__(self, multfactor=1): |
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85 | """ Initialization """ |
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86 | self.__dict__ = {} |
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87 | |
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88 | # Initialize BaseComponent first, then sphere |
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89 | BaseComponent.__init__(self) |
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90 | #apply(CCoreFourShellModel.__init__, (self,)) |
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91 | |
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92 | CCoreFourShellModel.__init__(self) |
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93 | self.is_multifunc = False |
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94 | |
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95 | ## Name of the model |
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96 | self.name = "CoreFourShellModel" |
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97 | ## Model description |
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98 | self.description = """ |
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99 | Calculates the scattering intensity from a core-4 shell structure. |
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100 | scale = scale factor * volume fraction |
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101 | rad_core0: the radius of the core |
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102 | sld_core0: the SLD of the core |
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103 | thick_shelli: the thickness of the i'th shell from the core |
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104 | sld_shelli: the SLD of the i'th shell from the core |
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105 | sld_solv: the SLD of the solvent |
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106 | background: incoherent background |
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107 | """ |
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108 | |
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109 | ## Parameter details [units, min, max] |
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110 | self.details = {} |
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111 | self.details['scale'] = ['', None, None] |
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112 | self.details['rad_core0'] = ['[A]', None, None] |
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113 | self.details['sld_core0'] = ['[1/A^(2)]', None, None] |
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114 | self.details['thick_shell1'] = ['[A]', None, None] |
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115 | self.details['sld_shell1'] = ['[1/A^(2)]', None, None] |
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116 | self.details['thick_shell2'] = ['[A]', None, None] |
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117 | self.details['sld_shell2'] = ['[1/A^(2)]', None, None] |
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118 | self.details['thick_shell3'] = ['[A]', None, None] |
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119 | self.details['sld_shell3'] = ['[1/A^(2)]', None, None] |
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120 | self.details['thick_shell4'] = ['[A]', None, None] |
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121 | self.details['sld_shell4'] = ['[1/A^(2)]', None, None] |
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122 | self.details['sld_solv'] = ['[1/A^(2)]', None, None] |
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123 | self.details['background'] = ['[1/cm]', None, None] |
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124 | self.details['M0_sld_shell1'] = ['[1/A^(2)]', None, None] |
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125 | self.details['M_theta_shell1'] = ['[deg]', None, None] |
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126 | self.details['M_phi_shell1'] = ['[deg]', None, None] |
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127 | self.details['M0_sld_shell2'] = ['[1/A^(2)]', None, None] |
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128 | self.details['M_theta_shell2'] = ['[deg]', None, None] |
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129 | self.details['M_phi_shell2'] = ['[deg]', None, None] |
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130 | self.details['M0_sld_shell3'] = ['[1/A^(2)]', None, None] |
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131 | self.details['M_theta_shell3'] = ['[deg]', None, None] |
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132 | self.details['M_phi_shell3'] = ['[deg]', None, None] |
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133 | self.details['M0_sld_shell4'] = ['[1/A^(2)]', None, None] |
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134 | self.details['M_theta_shell4'] = ['[deg]', None, None] |
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135 | self.details['M_phi_shell4'] = ['[deg]', None, None] |
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136 | self.details['M0_sld_core0'] = ['[1/A^(2)]', None, None] |
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137 | self.details['M_theta_core0'] = ['[deg]', None, None] |
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138 | self.details['M_phi_core0'] = ['[deg]', None, None] |
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139 | self.details['M0_sld_solv'] = ['[1/A^(2)]', None, None] |
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140 | self.details['M_theta_solv'] = ['[deg]', None, None] |
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141 | self.details['M_phi_solv'] = ['[deg]', None, None] |
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142 | self.details['Up_frac_i'] = ['[u/(u+d)]', None, None] |
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143 | self.details['Up_frac_f'] = ['[u/(u+d)]', None, None] |
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144 | self.details['Up_theta'] = ['[deg]', None, None] |
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145 | |
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146 | ## fittable parameters |
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147 | self.fixed = ['thick_shell4.width', |
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148 | 'thick_shell1.width', |
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149 | 'thick_shell2.width', |
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150 | 'thick_shell3.width', |
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151 | 'rad_core0.width'] |
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152 | |
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153 | ## non-fittable parameters |
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154 | self.non_fittable = [] |
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155 | |
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156 | ## parameters with orientation |
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157 | self.orientation_params = ['M0_sld_shell4', |
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158 | 'M_theta_shell4', |
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159 | 'M_phi_shell4', |
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160 | 'M0_sld_shell3', |
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161 | 'M_theta_shell3', |
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162 | 'M_phi_shell3', |
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163 | 'M0_sld_shell2', |
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164 | 'M_theta_shell2', |
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165 | 'M_phi_shell2', |
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166 | 'M0_sld_shell1', |
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167 | 'M_theta_shell1', |
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168 | 'M_phi_shell1', |
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169 | 'M0_sld_core0', |
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170 | 'M_theta_core0', |
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171 | 'M_phi_core0', |
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172 | 'M0_sld_solv', |
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173 | 'M_theta_solv', |
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174 | 'M_phi_solv', |
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175 | 'Up_frac_i', |
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176 | 'Up_frac_f', |
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177 | 'Up_theta'] |
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178 | |
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179 | ## parameters with magnetism |
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180 | self.magnetic_params = ['M0_sld_shell4', 'M_theta_shell4', 'M_phi_shell4', 'M0_sld_shell3', 'M_theta_shell3', 'M_phi_shell3', 'M0_sld_shell2', 'M_theta_shell2', 'M_phi_shell2', 'M0_sld_shell1', 'M_theta_shell1', 'M_phi_shell1', 'M0_sld_core0', 'M_theta_core0', 'M_phi_core0', 'M0_sld_solv', 'M_theta_solv', 'M_phi_solv', 'Up_frac_i', 'Up_frac_f', 'Up_theta'] |
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181 | |
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182 | self.category = None |
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183 | self.multiplicity_info = None |
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184 | |
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185 | def __setstate__(self, state): |
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186 | """ |
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187 | restore the state of a model from pickle |
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188 | """ |
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189 | self.__dict__, self.params, self.dispersion = state |
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190 | |
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191 | def __reduce_ex__(self, proto): |
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192 | """ |
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193 | Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of |
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194 | c model. |
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195 | """ |
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196 | state = (self.__dict__, self.params, self.dispersion) |
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197 | return (create_CoreFourShellModel, tuple(), state, None, None) |
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198 | |
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199 | def clone(self): |
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200 | """ Return a identical copy of self """ |
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201 | return self._clone(CoreFourShellModel()) |
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202 | |
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203 | def run(self, x=0.0): |
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204 | """ |
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205 | Evaluate the model |
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206 | |
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207 | :param x: input q, or [q,phi] |
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208 | |
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209 | :return: scattering function P(q) |
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210 | |
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211 | """ |
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212 | return CCoreFourShellModel.run(self, x) |
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213 | |
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214 | def runXY(self, x=0.0): |
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215 | """ |
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216 | Evaluate the model in cartesian coordinates |
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217 | |
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218 | :param x: input q, or [qx, qy] |
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219 | |
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220 | :return: scattering function P(q) |
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221 | |
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222 | """ |
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223 | return CCoreFourShellModel.runXY(self, x) |
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224 | |
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225 | def evalDistribution(self, x): |
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226 | """ |
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227 | Evaluate the model in cartesian coordinates |
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228 | |
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229 | :param x: input q[], or [qx[], qy[]] |
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230 | |
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231 | :return: scattering function P(q[]) |
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232 | |
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233 | """ |
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234 | return CCoreFourShellModel.evalDistribution(self, x) |
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235 | |
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236 | def calculate_ER(self): |
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237 | """ |
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238 | Calculate the effective radius for P(q)*S(q) |
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239 | |
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240 | :return: the value of the effective radius |
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241 | |
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242 | """ |
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243 | return CCoreFourShellModel.calculate_ER(self) |
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244 | |
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245 | def calculate_VR(self): |
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246 | """ |
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247 | Calculate the volf ratio for P(q)*S(q) |
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248 | |
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249 | :return: the value of the volf ratio |
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250 | |
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251 | """ |
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252 | return CCoreFourShellModel.calculate_VR(self) |
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253 | |
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254 | def set_dispersion(self, parameter, dispersion): |
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255 | """ |
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256 | Set the dispersion object for a model parameter |
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257 | |
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258 | :param parameter: name of the parameter [string] |
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259 | :param dispersion: dispersion object of type DispersionModel |
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260 | |
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261 | """ |
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262 | return CCoreFourShellModel.set_dispersion(self, |
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263 | parameter, dispersion.cdisp) |
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264 | |
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265 | |
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266 | # End of file |
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267 | |
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