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\StickyHS.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 CStickyHSStructure |
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26 | |
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27 | def create_StickyHSStructure(): |
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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 = StickyHSStructure() |
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32 | # CStickyHSStructure.__init__(obj) is called by |
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33 | # the StickyHSStructure constructor |
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34 | return obj |
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35 | |
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36 | class StickyHSStructure(CStickyHSStructure, BaseComponent): |
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37 | """ |
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38 | Class that evaluates a StickyHSStructure model. |
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39 | This file was auto-generated from src\sans\models\include\StickyHS.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 = 50.0 [A] |
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44 | volfraction = 0.1 |
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45 | perturb = 0.05 |
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46 | stickiness = 0.2 |
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47 | |
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48 | """ |
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49 | |
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50 | def __init__(self, multfactor=1): |
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51 | """ Initialization """ |
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52 | self.__dict__ = {} |
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53 | |
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54 | # Initialize BaseComponent first, then sphere |
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55 | BaseComponent.__init__(self) |
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56 | #apply(CStickyHSStructure.__init__, (self,)) |
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57 | |
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58 | CStickyHSStructure.__init__(self) |
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59 | self.is_multifunc = False |
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60 | |
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61 | ## Name of the model |
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62 | self.name = "StickyHSStructure" |
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63 | ## Model description |
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64 | self.description = """ |
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65 | Structure Factor for interacting particles: . |
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66 | |
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67 | The interaction potential is |
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68 | |
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69 | U(r)= inf , r < 2R |
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70 | = -Uo , 2R < r < 2R + w |
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71 | = 0 , r >= 2R +w |
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72 | |
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73 | R: effective radius of the hardsphere |
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74 | stickiness = [exp(Uo/kT)]/(12*perturb) |
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75 | perturb = w/(w+ 2R) , 0.01 =< w <= 0.1 |
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76 | w: The width of the square well ,w > 0 |
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77 | v: The volume fraction , v > 0 |
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78 | |
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79 | Ref: Menon, S. V. G.,et.al., J. Chem. |
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80 | Phys., 1991, 95(12), 9186-9190. |
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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['volfraction'] = ['', None, None] |
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87 | self.details['perturb'] = ['', None, None] |
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88 | self.details['stickiness'] = ['', None, None] |
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89 | |
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90 | ## fittable parameters |
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91 | self.fixed = ['effect_radius.width'] |
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92 | |
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93 | ## non-fittable parameters |
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94 | self.non_fittable = [] |
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95 | |
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96 | ## parameters with orientation |
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97 | self.orientation_params = [] |
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98 | |
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99 | ## parameters with magnetism |
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100 | self.magnetic_params = [] |
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101 | |
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102 | self.category = None |
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103 | self.multiplicity_info = None |
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104 | |
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105 | def __setstate__(self, state): |
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106 | """ |
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107 | restore the state of a model from pickle |
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108 | """ |
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109 | self.__dict__, self.params, self.dispersion = state |
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110 | |
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111 | def __reduce_ex__(self, proto): |
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112 | """ |
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113 | Overwrite the __reduce_ex__ of PyTypeObject *type call in the init of |
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114 | c model. |
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115 | """ |
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116 | state = (self.__dict__, self.params, self.dispersion) |
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117 | return (create_StickyHSStructure, tuple(), state, None, None) |
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118 | |
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119 | def clone(self): |
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120 | """ Return a identical copy of self """ |
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121 | return self._clone(StickyHSStructure()) |
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122 | |
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123 | def run(self, x=0.0): |
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124 | """ |
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125 | Evaluate the model |
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126 | |
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127 | :param x: input q, or [q,phi] |
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128 | |
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129 | :return: scattering function P(q) |
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130 | |
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131 | """ |
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132 | return CStickyHSStructure.run(self, x) |
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133 | |
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134 | def runXY(self, x=0.0): |
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135 | """ |
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136 | Evaluate the model in cartesian coordinates |
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137 | |
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138 | :param x: input q, or [qx, qy] |
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139 | |
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140 | :return: scattering function P(q) |
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141 | |
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142 | """ |
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143 | return CStickyHSStructure.runXY(self, x) |
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144 | |
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145 | def evalDistribution(self, x): |
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146 | """ |
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147 | Evaluate the model in cartesian coordinates |
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148 | |
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149 | :param x: input q[], or [qx[], qy[]] |
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150 | |
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151 | :return: scattering function P(q[]) |
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152 | |
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153 | """ |
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154 | return CStickyHSStructure.evalDistribution(self, x) |
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155 | |
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156 | def calculate_ER(self): |
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157 | """ |
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158 | Calculate the effective radius for P(q)*S(q) |
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159 | |
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160 | :return: the value of the effective radius |
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161 | |
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162 | """ |
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163 | return CStickyHSStructure.calculate_ER(self) |
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164 | |
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165 | def calculate_VR(self): |
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166 | """ |
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167 | Calculate the volf ratio for P(q)*S(q) |
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168 | |
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169 | :return: the value of the volf ratio |
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170 | |
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171 | """ |
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172 | return CStickyHSStructure.calculate_VR(self) |
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173 | |
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174 | def set_dispersion(self, parameter, dispersion): |
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175 | """ |
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176 | Set the dispersion object for a model parameter |
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177 | |
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178 | :param parameter: name of the parameter [string] |
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179 | :param dispersion: dispersion object of type DispersionModel |
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180 | |
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181 | """ |
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182 | return CStickyHSStructure.set_dispersion(self, |
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183 | parameter, dispersion.cdisp) |
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184 | |
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185 | |
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186 | # End of file |
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187 | |
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