1 | |
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2 | from sans.models.BaseComponent import BaseComponent |
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3 | import numpy, math |
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4 | import copy |
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5 | from sans.models.pluginmodel import Model1DPlugin |
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6 | class MultiplicationModel(BaseComponent): |
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7 | """ |
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8 | Use for P(Q)*S(Q); function call must be in the order of P(Q) and then S(Q): |
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9 | The model parameters are combined from both models, P(Q) and S(Q), except 1) 'effect_radius' of S(Q) |
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10 | which will be calculated from P(Q) via calculate_ER(), |
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11 | and 2) 'scale' in P model which is synchronized w/ volfraction in S |
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12 | then P*S is multiplied by a new param, 'scale_factor'. |
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13 | The polydispersion is applicable only to P(Q), not to S(Q). |
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14 | Note: P(Q) refers to 'form factor' model while S(Q) does to 'structure factor'. |
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15 | """ |
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16 | def __init__(self, p_model, s_model ): |
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17 | BaseComponent.__init__(self) |
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18 | """ |
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19 | @param p_model: form factor, P(Q) |
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20 | @param s_model: structure factor, S(Q) |
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21 | """ |
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22 | |
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23 | ## Setting model name model description |
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24 | self.description="" |
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25 | self.name = p_model.name +" * "+ s_model.name |
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26 | self.description= self.name+"\n" |
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27 | self.fill_description(p_model, s_model) |
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28 | |
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29 | ## Define parameters |
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30 | self.params = {} |
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31 | |
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32 | ## Parameter details [units, min, max] |
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33 | self.details = {} |
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34 | |
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35 | ##models |
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36 | self.p_model= p_model |
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37 | self.s_model= s_model |
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38 | |
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39 | |
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40 | ## dispersion |
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41 | self._set_dispersion() |
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42 | ## Define parameters |
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43 | self._set_params() |
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44 | ## New parameter:Scaling factor |
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45 | self.params['scale_factor'] = 1 |
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46 | |
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47 | ## Parameter details [units, min, max] |
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48 | self._set_details() |
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49 | self.details['scale_factor'] = ['', None, None] |
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50 | |
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51 | #list of parameter that can be fitted |
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52 | self._set_fixed_params() |
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53 | ## parameters with orientation |
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54 | for item in self.p_model.orientation_params: |
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55 | self.orientation_params.append(item) |
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56 | |
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57 | for item in self.s_model.orientation_params: |
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58 | if not item in self.orientation_params: |
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59 | self.orientation_params.append(item) |
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60 | |
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61 | |
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62 | def _clone(self, obj): |
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63 | """ |
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64 | Internal utility function to copy the internal |
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65 | data members to a fresh copy. |
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66 | """ |
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67 | obj.params = copy.deepcopy(self.params) |
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68 | obj.description = copy.deepcopy(self.description) |
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69 | obj.details = copy.deepcopy(self.details) |
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70 | obj.dispersion = copy.deepcopy(self.dispersion) |
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71 | obj.p_model = self.p_model.clone() |
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72 | obj.s_model = self.s_model.clone() |
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73 | #obj = copy.deepcopy(self) |
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74 | return obj |
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75 | |
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76 | |
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77 | def _set_dispersion(self): |
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78 | """ |
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79 | combined the two models dispersions |
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80 | Polydispersion should not be applied to s_model |
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81 | """ |
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82 | ##set dispersion only from p_model |
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83 | for name , value in self.p_model.dispersion.iteritems(): |
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84 | self.dispersion[name]= value |
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85 | |
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86 | def _set_params(self): |
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87 | """ |
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88 | Concatenate the parameters of the two models to create |
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89 | this model parameters |
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90 | """ |
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91 | |
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92 | for name , value in self.p_model.params.iteritems(): |
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93 | if not name in self.params.keys() and name != 'scale': |
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94 | self.params[name]= value |
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95 | |
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96 | for name , value in self.s_model.params.iteritems(): |
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97 | #Remove the effect_radius from the (P*S) model parameters. |
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98 | if not name in self.params.keys() and name != 'effect_radius': |
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99 | self.params[name]= value |
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100 | |
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101 | # Set "scale and effec_radius to P and S model as initializing |
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102 | # since run P*S comes from P and S separately. |
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103 | self._set_scale_factor() |
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104 | self._set_effect_radius() |
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105 | |
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106 | def _set_details(self): |
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107 | """ |
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108 | Concatenate details of the two models to create |
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109 | this model details |
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110 | """ |
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111 | for name ,detail in self.p_model.details.iteritems(): |
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112 | if name != 'scale': |
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113 | self.details[name]= detail |
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114 | |
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115 | for name , detail in self.s_model.details.iteritems(): |
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116 | if not name in self.details.keys() or name != 'effect_radius': |
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117 | self.details[name]= detail |
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118 | |
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119 | def _set_scale_factor(self): |
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120 | """ |
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121 | Set scale=volfraction to P model |
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122 | """ |
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123 | value = self.params['volfraction'] |
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124 | if value != None: |
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125 | self.p_model.setParam( 'scale', value) |
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126 | |
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127 | |
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128 | def _set_effect_radius(self): |
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129 | """ |
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130 | Set effective radius to S(Q) model |
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131 | """ |
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132 | effective_radius = self.p_model.calculate_ER() |
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133 | #Reset the effective_radius of s_model just before the run |
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134 | if effective_radius != None and effective_radius != NotImplemented: |
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135 | self.s_model.setParam('effect_radius',effective_radius) |
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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 P*S model |
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145 | self._setParamHelper( name, value) |
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146 | |
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147 | ## setParam to p model |
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148 | # set 'scale' in P(Q) equal to volfraction |
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149 | if name == 'volfraction': |
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150 | self._set_scale_factor() |
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151 | elif name in self.p_model.getParamList(): |
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152 | self.p_model.setParam( name, value) |
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153 | |
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154 | ## setParam to s model |
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155 | # This is a little bit abundant: Todo: find better way |
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156 | self._set_effect_radius() |
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157 | if name in self.s_model.getParamList(): |
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158 | self.s_model.setParam( name, value) |
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159 | |
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160 | |
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161 | #self._setParamHelper( name, value) |
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162 | |
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163 | def _setParamHelper(self, name, value): |
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164 | """ |
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165 | Helper function to setparam |
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166 | """ |
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167 | # Look for dispersion parameters |
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168 | toks = name.split('.') |
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169 | if len(toks)==2: |
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170 | for item in self.dispersion.keys(): |
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171 | if item.lower()==toks[0].lower(): |
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172 | for par in self.dispersion[item]: |
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173 | if par.lower() == toks[1].lower(): |
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174 | self.dispersion[item][par] = value |
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175 | return |
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176 | else: |
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177 | # Look for standard parameter |
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178 | for item in self.params.keys(): |
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179 | if item.lower()==name.lower(): |
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180 | self.params[item] = value |
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181 | return |
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182 | |
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183 | raise ValueError, "Model does not contain parameter %s" % name |
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184 | |
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185 | |
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186 | def _set_fixed_params(self): |
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187 | """ |
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188 | fill the self.fixed list with the p_model fixed list |
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189 | """ |
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190 | for item in self.p_model.fixed: |
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191 | self.fixed.append(item) |
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192 | |
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193 | self.fixed.sort() |
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194 | |
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195 | |
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196 | def run(self, x = 0.0): |
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197 | """ Evaluate the model |
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198 | @param x: input q-value (float or [float, float] as [r, theta]) |
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199 | @return: (DAB value) |
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200 | """ |
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201 | # set effective radius and scaling factor before run |
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202 | self._set_effect_radius() |
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203 | self._set_scale_factor() |
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204 | return self.params['scale_factor']*self.p_model.run(x)*self.s_model.run(x) |
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205 | |
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206 | def runXY(self, x = 0.0): |
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207 | """ Evaluate the model |
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208 | @param x: input q-value (float or [float, float] as [qx, qy]) |
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209 | @return: DAB value |
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210 | """ |
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211 | # set effective radius and scaling factor before run |
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212 | self._set_effect_radius() |
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213 | self._set_scale_factor() |
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214 | return self.params['scale_factor']*self.p_model.runXY(x)* self.s_model.runXY(x) |
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215 | |
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216 | ## Now (May27,10) directly uses the model eval function |
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217 | ## instead of the for-loop in Base Component. |
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218 | def evalDistribution(self, x = []): |
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219 | """ Evaluate the model in cartesian coordinates |
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220 | @param x: input q[], or [qx[], qy[]] |
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221 | @return: scattering function P(q[]) |
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222 | """ |
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223 | # set effective radius and scaling factor before run |
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224 | self._set_effect_radius() |
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225 | self._set_scale_factor() |
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226 | return self.params['scale_factor']*self.p_model.evalDistribution(x)* self.s_model.evalDistribution(x) |
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227 | |
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228 | def set_dispersion(self, parameter, dispersion): |
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229 | """ |
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230 | Set the dispersion object for a model parameter |
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231 | @param parameter: name of the parameter [string] |
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232 | @dispersion: dispersion object of type DispersionModel |
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233 | """ |
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234 | value= None |
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235 | try: |
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236 | if parameter in self.p_model.dispersion.keys(): |
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237 | value= self.p_model.set_dispersion(parameter, dispersion) |
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238 | self._set_dispersion() |
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239 | return value |
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240 | except: |
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241 | raise |
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242 | |
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243 | def fill_description(self, p_model, s_model): |
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244 | """ |
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245 | Fill the description for P(Q)*S(Q) |
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246 | """ |
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247 | description = "" |
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248 | description += "Note:1) The effect_radius (effective radius) of %s \n"% (s_model.name) |
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249 | description +=" is automatically calculated from size parameters (radius...).\n" |
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250 | description += " 2) For non-spherical shape, this approximation is valid \n" |
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251 | description += " only for limited systems. Thus, use it at your own risk.\n" |
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252 | description +="See %s description and %s description \n"%( p_model.name, s_model.name ) |
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253 | description += " for details of individual models." |
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254 | self.description += description |
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255 | |
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