1 | |
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2 | from sans.models.BaseComponent import BaseComponent |
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3 | from sans.models.OnionModel import OnionModel |
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4 | import copy |
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5 | max_nshells = 10 |
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6 | class SphereExpShellModel(BaseComponent): |
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7 | """ |
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8 | This multi-model is based on CoreMultiShellModel with exponential func shells and provides the capability |
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9 | of changing the number of shells between 1 and 10. |
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10 | """ |
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11 | def __init__(self, n_shells=1): |
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12 | BaseComponent.__init__(self) |
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13 | """ |
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14 | :param n_shells: number of shells in the model, assumes 1<= n_shells <=10. |
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15 | """ |
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16 | |
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17 | ## Setting model name model description |
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18 | self.description="" |
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19 | model = OnionModel() |
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20 | self.model = model |
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21 | self.name = "SphereExpShellModel" |
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22 | self.description=model.description |
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23 | self.n_shells = n_shells |
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24 | ## Define parameters |
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25 | self.params = {} |
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26 | |
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27 | ## Parameter details [units, min, max] |
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28 | self.details = {} |
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29 | |
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30 | ## dispersion |
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31 | self._set_dispersion() |
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32 | ## Define parameters |
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33 | self._set_params() |
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34 | |
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35 | ## Parameter details [units, min, max] |
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36 | self._set_details() |
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37 | |
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38 | #list of parameter that can be fitted |
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39 | self._set_fixed_params() |
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40 | self.model.params['n_shells'] = self.n_shells |
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41 | ## parameters with orientation: can be removed since there is no orientational params |
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42 | for item in self.model.orientation_params: |
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43 | self.orientation_params.append(item) |
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44 | |
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45 | def _clone(self, obj): |
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46 | """ |
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47 | Internal utility function to copy the internal |
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48 | data members to a fresh copy. |
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49 | """ |
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50 | obj.params = copy.deepcopy(self.params) |
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51 | obj.description = copy.deepcopy(self.description) |
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52 | obj.details = copy.deepcopy(self.details) |
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53 | obj.dispersion = copy.deepcopy(self.dispersion) |
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54 | obj.model = self.model.clone() |
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55 | |
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56 | return obj |
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57 | |
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58 | |
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59 | def _set_dispersion(self): |
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60 | """ |
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61 | model dispersions |
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62 | """ |
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63 | ##set dispersion from model |
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64 | for name , value in self.model.dispersion.iteritems(): |
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65 | |
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66 | nshell = 0 |
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67 | if name.split('_')[0] == 'thick': |
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68 | while nshell<self.n_shells: |
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69 | nshell += 1 |
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70 | if name.split('_')[1] == 'shell%s' % str(nshell): |
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71 | self.dispersion[name]= value |
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72 | else: |
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73 | continue |
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74 | else: |
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75 | self.dispersion[name]= value |
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76 | |
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77 | |
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78 | def _set_params(self): |
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79 | """ |
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80 | Concatenate the parameters of the model to create |
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81 | this model parameters |
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82 | """ |
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83 | # rearrange the parameters for the given # of shells |
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84 | for name , value in self.model.params.iteritems(): |
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85 | nshell = 0 |
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86 | pos = len(name.split('_'))-1 |
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87 | if name.split('_')[0] == 'func': |
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88 | continue |
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89 | elif name.split('_')[pos][0:5] == 'shell': |
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90 | while nshell<self.n_shells: |
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91 | nshell += 1 |
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92 | if name.split('_')[pos] == 'shell%s' % str(nshell): |
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93 | self.params[name]= value |
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94 | continue |
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95 | else: |
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96 | self.params[name]= value |
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97 | |
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98 | self.model.params['n_shells'] = self.n_shells |
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99 | |
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100 | # set constrained values for the original model params |
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101 | self._set_xtra_model_param() |
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102 | |
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103 | def _set_details(self): |
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104 | """ |
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105 | Concatenate details of the original model to create |
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106 | this model details |
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107 | """ |
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108 | for name ,detail in self.model.details.iteritems(): |
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109 | if name in self.params.iterkeys(): |
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110 | self.details[name]= detail |
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111 | |
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112 | |
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113 | def _set_xtra_model_param(self): |
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114 | """ |
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115 | Set params of original model that are hidden from this model |
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116 | """ |
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117 | # look for the model parameters that are not in param list |
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118 | for key in self.model.params.iterkeys(): |
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119 | if key not in self.params.keys(): |
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120 | if key.split('_')[0] == 'thick': |
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121 | self.model.setParam(key, 0) |
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122 | continue |
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123 | if key.split('_')[0] == 'A': |
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124 | self.model.setParam(key, 0) |
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125 | continue |
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126 | if key.split('_')[0] == 'func': |
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127 | self.model.setParam(key, 2) |
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128 | continue |
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129 | for nshell in range(self.n_shells,max_nshells): |
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130 | if key.split('_')[1] == 'sld_in_shell%s' % str(nshell+1): |
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131 | try: |
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132 | value = self.model.params['sld_solv'] |
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133 | self.model.setParam(key, value) |
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134 | except: pass |
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135 | |
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136 | |
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137 | def setParam(self, name, value): |
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138 | """ |
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139 | Set the value of a model parameter |
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140 | |
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141 | : param name: name of the parameter |
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142 | : param value: value of the parameter |
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143 | """ |
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144 | # set param to new model |
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145 | self._setParamHelper( name, value) |
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146 | |
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147 | ## setParam to model |
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148 | if name=='sld_solv': |
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149 | # the sld_*** model.params not in params must set to value of sld_solv |
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150 | for key in self.model.params.iterkeys(): |
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151 | if key not in self.params.keys()and key.split('_')[0] == 'sld': |
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152 | self.model.setParam(key, value) |
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153 | self.model.setParam( name, value) |
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154 | |
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155 | def _setParamHelper(self, name, value): |
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156 | """ |
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157 | Helper function to setParam |
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158 | """ |
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159 | #look for dispersion parameters |
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160 | toks = name.split('.') |
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161 | if len(toks)==2: |
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162 | for item in self.dispersion.keys(): |
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163 | if item.lower()==toks[0].lower(): |
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164 | for par in self.dispersion[item]: |
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165 | if par.lower() == toks[1].lower(): |
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166 | self.dispersion[item][par] = value |
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167 | return |
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168 | # Look for standard parameter |
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169 | for item in self.params.keys(): |
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170 | if item.lower()==name.lower(): |
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171 | self.params[item] = value |
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172 | return |
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173 | |
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174 | raise ValueError, "Model does not contain parameter %s" % name |
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175 | |
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176 | |
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177 | def _set_fixed_params(self): |
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178 | """ |
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179 | Fill the self.fixed list with the model fixed list |
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180 | """ |
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181 | for item in self.model.fixed: |
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182 | if item.split('.')[0] in self.params.keys(): |
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183 | self.fixed.append(item) |
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184 | |
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185 | self.fixed.sort() |
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186 | pass |
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187 | |
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188 | def run(self, x = 0.0): |
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189 | """ |
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190 | Evaluate the model |
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191 | |
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192 | : param x: input q-value (float or [float, float] as [r, theta]) |
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193 | : return: (DAB value) |
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194 | """ |
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195 | |
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196 | return self.model.run(x) |
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197 | |
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198 | def runXY(self, x = 0.0): |
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199 | """ |
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200 | Evaluate the model |
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201 | |
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202 | : param x: input q-value (float or [float, float] as [qx, qy]) |
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203 | : return: DAB value |
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204 | """ |
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205 | |
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206 | return self.model.runXY(x) |
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207 | |
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208 | ## Now (May27,10) directly uses the model eval function |
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209 | ## instead of the for-loop in Base Component. |
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210 | def evalDistribution(self, x = []): |
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211 | """ |
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212 | Evaluate the model in cartesian coordinates |
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213 | |
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214 | : param x: input q[], or [qx[], qy[]] |
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215 | : return: scattering function P(q[]) |
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216 | """ |
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217 | # set effective radius and scaling factor before run |
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218 | return self.model.evalDistribution(x) |
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219 | |
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220 | def set_dispersion(self, parameter, dispersion): |
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221 | """ |
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222 | Set the dispersion object for a model parameter |
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223 | |
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224 | : param parameter: name of the parameter [string] |
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225 | :dispersion: dispersion object of type DispersionModel |
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226 | """ |
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227 | value= None |
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228 | try: |
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229 | if parameter in self.model.dispersion.keys(): |
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230 | value= self.model.set_dispersion(parameter, dispersion) |
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231 | self._set_dispersion() |
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232 | return value |
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233 | except: |
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234 | raise |
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