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: THIS FILE WAS GENERATED BY WRAPPERGENERATOR.PY |
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19 | DO NOT MODIFY THIS FILE, MODIFY |
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20 | src\sans\models\include\HayterMSA.h |
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21 | AND RE-RUN THE GENERATOR SCRIPT |
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22 | """ |
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23 | |
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24 | from sans.models.BaseComponent import BaseComponent |
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25 | from sans.models.sans_extension.c_models import CHayterMSAStructure |
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26 | |
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27 | def create_HayterMSAStructure(): |
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28 | """ |
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29 | Create a model instance |
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30 | """ |
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31 | obj = HayterMSAStructure() |
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32 | # CHayterMSAStructure.__init__(obj) is called by |
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33 | # the HayterMSAStructure constructor |
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34 | return obj |
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35 | |
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36 | class HayterMSAStructure(CHayterMSAStructure, BaseComponent): |
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37 | """ |
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38 | Class that evaluates a HayterMSAStructure model. |
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39 | This file was auto-generated from src\sans\models\include\HayterMSA.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 | effect_radius = 20.75 [A] |
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44 | charge = 19.0 |
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45 | volfraction = 0.0192 |
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46 | temperature = 318.16 [K] |
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47 | saltconc = 0.0 [M] |
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48 | dielectconst = 71.08 |
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49 | |
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50 | """ |
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51 | |
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52 | def __init__(self, multfactor=1): |
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53 | """ Initialization """ |
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54 | self.__dict__ = {} |
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55 | |
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56 | # Initialize BaseComponent first, then sphere |
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57 | BaseComponent.__init__(self) |
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58 | #apply(CHayterMSAStructure.__init__, (self,)) |
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59 | |
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60 | CHayterMSAStructure.__init__(self) |
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61 | self.is_multifunc = False |
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62 | |
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63 | ## Name of the model |
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64 | self.name = "HayterMSAStructure" |
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65 | ## Model description |
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66 | self.description = """ |
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67 | To calculate the structure factor (the Fourier transform of the |
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68 | pair correlation function g(r)) for a system of |
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69 | charged, spheroidal objects in a dielectric |
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70 | medium. |
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71 | When combined with an appropriate form |
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72 | factor, this allows for inclusion of |
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73 | the interparticle interference effects |
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74 | due to screened coulomb repulsion between |
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75 | charged particles. |
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76 | (Note: charge > 0 required.) |
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77 | |
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78 | Ref: JP Hansen and JB Hayter, Molecular |
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79 | Physics 46, 651-656 (1982). |
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80 | |
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81 | """ |
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82 | |
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83 | ## Parameter details [units, min, max] |
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84 | self.details = {} |
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85 | self.details['effect_radius'] = ['[A]', None, None] |
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86 | self.details['charge'] = ['', None, None] |
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87 | self.details['volfraction'] = ['', None, None] |
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88 | self.details['temperature'] = ['[K]', None, None] |
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89 | self.details['saltconc'] = ['[M]', None, None] |
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90 | self.details['dielectconst'] = ['', None, None] |
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91 | |
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92 | ## fittable parameters |
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93 | self.fixed = ['effect_radius.width'] |
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94 | |
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95 | ## non-fittable parameters |
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96 | self.non_fittable = [] |
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97 | |
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98 | ## parameters with orientation |
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99 | self.orientation_params = [] |
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100 | |
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101 | ## parameters with magnetism |
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102 | self.magnetic_params = [] |
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103 | |
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104 | self.category = None |
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105 | self.multiplicity_info = None |
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106 | |
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107 | def __setstate__(self, state): |
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108 | """ |
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109 | restore the state of a model from pickle |
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110 | """ |
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111 | self.__dict__, self.params, self.dispersion = state |
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112 | |
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113 | def __reduce_ex__(self, proto): |
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114 | """ |
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115 | Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of |
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116 | c model. |
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117 | """ |
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118 | state = (self.__dict__, self.params, self.dispersion) |
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119 | return (create_HayterMSAStructure, tuple(), state, None, None) |
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120 | |
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121 | def clone(self): |
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122 | """ Return a identical copy of self """ |
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123 | return self._clone(HayterMSAStructure()) |
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124 | |
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125 | def run(self, x=0.0): |
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126 | """ |
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127 | Evaluate the model |
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128 | |
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129 | :param x: input q, or [q,phi] |
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130 | |
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131 | :return: scattering function P(q) |
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132 | |
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133 | """ |
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134 | return CHayterMSAStructure.run(self, x) |
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135 | |
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136 | def runXY(self, x=0.0): |
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137 | """ |
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138 | Evaluate the model in cartesian coordinates |
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139 | |
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140 | :param x: input q, or [qx, qy] |
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141 | |
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142 | :return: scattering function P(q) |
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143 | |
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144 | """ |
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145 | return CHayterMSAStructure.runXY(self, x) |
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146 | |
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147 | def evalDistribution(self, x): |
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148 | """ |
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149 | Evaluate the model in cartesian coordinates |
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150 | |
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151 | :param x: input q[], or [qx[], qy[]] |
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152 | |
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153 | :return: scattering function P(q[]) |
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154 | |
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155 | """ |
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156 | return CHayterMSAStructure.evalDistribution(self, x) |
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157 | |
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158 | def calculate_ER(self): |
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159 | """ |
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160 | Calculate the effective radius for P(q)*S(q) |
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161 | |
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162 | :return: the value of the effective radius |
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163 | |
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164 | """ |
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165 | return CHayterMSAStructure.calculate_ER(self) |
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166 | |
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167 | def calculate_VR(self): |
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168 | """ |
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169 | Calculate the volf ratio for P(q)*S(q) |
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170 | |
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171 | :return: the value of the volf ratio |
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172 | |
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173 | """ |
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174 | return CHayterMSAStructure.calculate_VR(self) |
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175 | |
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176 | def set_dispersion(self, parameter, dispersion): |
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177 | """ |
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178 | Set the dispersion object for a model parameter |
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179 | |
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180 | :param parameter: name of the parameter [string] |
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181 | :param dispersion: dispersion object of type DispersionModel |
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182 | |
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183 | """ |
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184 | return CHayterMSAStructure.set_dispersion(self, |
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185 | parameter, dispersion.cdisp) |
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186 | |
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187 | |
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188 | # End of file |
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189 | |
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