| [35aface] | 1 | |
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| 2 | from sans.models.BaseComponent import BaseComponent |
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| 3 | from sans.models.RPAModel import RPAModel |
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| 4 | from copy import deepcopy |
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| 5 | max_case_n = 10 |
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| 6 | class RPA10Model(BaseComponent): |
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| 7 | """ |
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| 8 | This multi-model is based on Parratt formalism and provides the capability |
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| 9 | of changing the number of layers between 0 and 10. |
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| 10 | """ |
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| 11 | def __init__(self, multfactor=1): |
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| 12 | BaseComponent.__init__(self) |
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| 13 | """ |
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| 14 | :param multfactor: number of cases in the model, assumes 0<= case# <=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 = RPAModel() |
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| 20 | self.model = model |
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| 21 | self.name = "RPA10Model" |
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| 22 | self.description=model.description |
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| 23 | self.case_num = multfactor |
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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 | # non-fittable parameters |
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| 31 | self.non_fittable = model.non_fittable |
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| 32 | |
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| 33 | # list of function in order of the function number |
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| 34 | self.fun_list = self._get_func_list() |
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| 35 | ## dispersion |
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| 36 | self._set_dispersion() |
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| 37 | ## Define parameters |
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| 38 | self._set_params() |
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| 39 | |
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| 40 | ## Parameter details [units, min, max] |
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| 41 | self._set_details() |
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| 42 | |
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| 43 | #list of parameter that can be fitted |
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| 44 | self._set_fixed_params() |
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| 45 | self.model.params['lcase_n'] = self.case_num |
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| 46 | |
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| 47 | ## functional multiplicity of the model |
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| [339ce67] | 48 | self.multiplicity_info = [max_case_n,"Case No.:",["C/D Binary Mixture of Homopolymers", |
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| 49 | "C-D Diblock Copolymer", |
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| 50 | "B/C/D Ternary Mixture of Homopolymers", |
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| 51 | "B/C-D Mixture of Homopolymer B and Diblock Copolymer C-D", |
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| 52 | "B-C-D Triblock Copolymer", |
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| 53 | "A/B/C/D Quaternary Mixture of Homopolymers", |
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| 54 | "A/B/C-D Mixture of Homopolymer A/B and Diblock C-D", |
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| 55 | "A/B-C-D Mixture of Homopolymer A and triblock B-C-D", |
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| 56 | "A-B/C-D Mixture of Diblock Copolymer A-B and Diblock C-D", |
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| 57 | "A-B-C-D Four-block Copolymer"], |
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| 58 | []] |
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| [35aface] | 59 | |
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| 60 | def _clone(self, obj): |
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| 61 | """ |
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| 62 | Internal utility function to copy the internal |
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| 63 | data members to a fresh copy. |
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| 64 | """ |
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| 65 | obj.params = deepcopy(self.params) |
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| 66 | obj.non_fittable = deepcopy(self.non_fittable) |
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| 67 | obj.description = deepcopy(self.description) |
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| 68 | obj.details = deepcopy(self.details) |
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| 69 | obj.dispersion = deepcopy(self.dispersion) |
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| 70 | obj.model = self.model.clone() |
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| 71 | |
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| 72 | return obj |
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| 73 | |
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| 74 | |
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| 75 | def _set_dispersion(self): |
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| 76 | """ |
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| 77 | model dispersions |
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| 78 | """ |
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| 79 | ##set dispersion from model |
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| 80 | self.dispersion = {} |
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| 81 | |
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| 82 | |
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| 83 | def _set_params(self): |
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| 84 | """ |
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| 85 | Concatenate the parameters of the model to create |
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| 86 | this model parameters |
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| 87 | """ |
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| 88 | # set the case number first |
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| 89 | self.model.params['lcase_n'] = self.case_num |
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| 90 | # rearrange the parameters for the given # of shells |
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| 91 | for name , value in self.model.params.iteritems(): |
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| 92 | if name == 'lcase_n': |
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| 93 | continue |
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| 94 | elif name.lower() == 'scale' or \ |
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| 95 | name.lower() == 'background': |
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| 96 | self.params[name] = value |
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| 97 | elif self.case_num <= 1: |
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| 98 | if name.lower() == 'nc' or \ |
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| 99 | name.lower() == 'phic' or \ |
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| 100 | name.lower() == 'vc' or \ |
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| 101 | name.lower() == 'lc' or \ |
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| 102 | name.lower() == 'bc' or \ |
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| 103 | name.lower() == 'nd' or \ |
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| 104 | name.lower() == 'phid' or \ |
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| 105 | name.lower() == 'vd' or \ |
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| 106 | name.lower() == 'ld' or \ |
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| 107 | name.lower() == 'bd' or \ |
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| 108 | name.lower() == 'kcd': |
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| 109 | self.params[name] = value |
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| 110 | elif self.case_num > 1 and self.case_num <= 4: |
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| 111 | if name.lower() == 'nb' or \ |
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| 112 | name.lower() == 'phib' or \ |
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| 113 | name.lower() == 'vb' or \ |
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| 114 | name.lower() == 'lb' or \ |
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| 115 | name.lower() == 'bb' or \ |
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| 116 | name.lower() == 'nc' or \ |
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| 117 | name.lower() == 'phic' or \ |
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| 118 | name.lower() == 'vc' or \ |
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| 119 | name.lower() == 'lc' or \ |
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| 120 | name.lower() == 'bc' or \ |
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| 121 | name.lower() == 'nd' or \ |
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| 122 | name.lower() == 'phid' or \ |
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| 123 | name.lower() == 'vd' or \ |
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| 124 | name.lower() == 'ld' or \ |
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| 125 | name.lower() == 'bd' or \ |
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| 126 | name.lower() == 'kbc' or \ |
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| 127 | name.lower() == 'kbd' or \ |
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| 128 | name.lower() == 'kcd' : |
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| 129 | self.params[name] = value |
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| 130 | else: |
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| 131 | if name.lower() == 'na' or \ |
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| 132 | name.lower() == 'phia' or \ |
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| 133 | name.lower() == 'va' or \ |
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| 134 | name.lower() == 'la' or \ |
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| 135 | name.lower() == 'ba' or \ |
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| 136 | name.lower() == 'nb' or \ |
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| 137 | name.lower() == 'phib' or \ |
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| 138 | name.lower() == 'vb' or \ |
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| 139 | name.lower() == 'lb' or \ |
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| 140 | name.lower() == 'bb' or \ |
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| 141 | name.lower() == 'nc' or \ |
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| 142 | name.lower() == 'phic' or \ |
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| 143 | name.lower() == 'vc' or \ |
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| 144 | name.lower() == 'lc' or \ |
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| 145 | name.lower() == 'bc' or \ |
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| 146 | name.lower() == 'nd' or \ |
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| 147 | name.lower() == 'phid' or \ |
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| 148 | name.lower() == 'vd' or \ |
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| 149 | name.lower() == 'ld' or \ |
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| 150 | name.lower() == 'bd' or \ |
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| 151 | name.lower() == 'kab' or \ |
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| 152 | name.lower() == 'kac' or \ |
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| 153 | name.lower() == 'kad' or \ |
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| 154 | name.lower() == 'kbc' or \ |
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| 155 | name.lower() == 'kbd' or \ |
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| 156 | name.lower() == 'kcd' : |
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| 157 | self.params[name] = value |
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| 158 | |
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| 159 | |
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| 160 | |
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| 161 | def _set_details(self): |
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| 162 | """ |
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| 163 | Concatenate details of the original model to create |
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| 164 | this model details |
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| 165 | """ |
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| 166 | for name ,detail in self.model.details.iteritems(): |
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| 167 | if name in self.params.iterkeys(): |
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| 168 | self.details[name]= detail |
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| 169 | |
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| 170 | def _get_func_list(self): |
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| 171 | """ |
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| 172 | Get the list of functions in each cases |
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| 173 | """ |
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| 174 | func_list = {} |
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| 175 | return func_list |
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| 176 | |
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| 177 | def getProfile(self): |
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| 178 | """ |
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| 179 | Get SLD profile |
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| 180 | |
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| 181 | : return: None, No SLD profile supporting for this model |
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| 182 | """ |
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| 183 | return None |
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| 184 | |
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| 185 | def setParam(self, name, value): |
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| 186 | """ |
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| 187 | Set the value of a model parameter |
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| 188 | |
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| 189 | : param name: name of the parameter |
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| 190 | : param value: value of the parameter |
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| 191 | """ |
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| 192 | # set param to new model |
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| 193 | self._setParamHelper( name, value) |
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| 194 | |
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| 195 | self.model.setParam( name, value) |
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| 196 | |
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| 197 | def _setParamHelper(self, name, value): |
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| 198 | """ |
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| 199 | Helper function to setParam |
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| 200 | """ |
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| 201 | |
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| 202 | # Look for standard parameter |
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| 203 | for item in self.params.keys(): |
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| 204 | if item.lower()==name.lower(): |
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| 205 | self.params[item] = value |
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| 206 | return |
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| 207 | |
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| 208 | raise ValueError, "Model does not contain parameter %s" % name |
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| 209 | |
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| 210 | |
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| 211 | def _set_fixed_params(self): |
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| 212 | """ |
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| 213 | Fill the self.fixed list with the model fixed list |
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| 214 | """ |
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| 215 | pass |
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| 216 | |
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| 217 | def run(self, x = 0.0): |
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| 218 | """ |
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| 219 | Evaluate the model |
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| 220 | |
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| 221 | :param x: input q, or [q,phi] |
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| 222 | |
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| 223 | :return: scattering function P(q) |
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| 224 | |
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| 225 | """ |
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| 226 | |
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| 227 | return self.model.run(x) |
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| 228 | |
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| 229 | def runXY(self, x = 0.0): |
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| 230 | """ |
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| 231 | Evaluate the model |
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| 232 | |
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| 233 | : param x: input q-value (float or [float, float] as [qx, qy]) |
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| 234 | : return: scattering function value |
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| 235 | """ |
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| 236 | |
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| 237 | return self.model.runXY(x) |
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| 238 | |
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| 239 | ## Now (May27,10) directly uses the model eval function |
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| 240 | ## instead of the for-loop in Base Component. |
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| 241 | def evalDistribution(self, x = []): |
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| 242 | """ |
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| 243 | Evaluate the model in cartesian coordinates |
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| 244 | |
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| 245 | : param x: input q[], or [qx[], qy[]] |
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| 246 | : return: scattering function P(q[]) |
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| 247 | """ |
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| 248 | # set effective radius and scaling factor before run |
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| 249 | return self.model.evalDistribution(x) |
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| 250 | def calculate_ER(self): |
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| 251 | """ |
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| 252 | """ |
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| 253 | return self.model.calculate_ER() |
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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 | :dispersion: dispersion object of type DispersionModel |
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| 260 | """ |
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| 261 | pass |
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