1 | """ |
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2 | Calculation thread for modeling |
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3 | """ |
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4 | |
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5 | import time |
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6 | import numpy |
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7 | import math |
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8 | from sas.sascalc.data_util.calcthread import CalcThread |
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9 | from sas.sascalc.fit.MultiplicationModel import MultiplicationModel |
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10 | import sas.qtgui.Utilities.LocalConfig as LocalConfig |
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11 | |
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12 | class Calc2D(CalcThread): |
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13 | """ |
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14 | Compute 2D model |
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15 | This calculation assumes a 2-fold symmetry of the model |
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16 | where points are computed for one half of the detector |
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17 | and I(qx, qy) = I(-qx, -qy) is assumed. |
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18 | """ |
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19 | def __init__(self, data, model, smearer, qmin, qmax, page_id, |
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20 | state=None, |
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21 | weight=None, |
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22 | fid=None, |
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23 | toggle_mode_on=False, |
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24 | completefn=None, |
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25 | updatefn=None, |
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26 | update_chisqr=True, |
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27 | source='model', |
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28 | yieldtime=0.04, |
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29 | worktime=0.04, |
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30 | exception_handler=None, |
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31 | ): |
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32 | CalcThread.__init__(self, completefn, updatefn, yieldtime, worktime, |
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33 | exception_handler=exception_handler) |
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34 | self.qmin = qmin |
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35 | self.qmax = qmax |
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36 | self.weight = weight |
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37 | self.fid = fid |
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38 | #self.qstep = qstep |
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39 | self.toggle_mode_on = toggle_mode_on |
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40 | self.data = data |
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41 | self.page_id = page_id |
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42 | self.state = None |
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43 | # the model on to calculate |
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44 | self.model = model |
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45 | self.smearer = smearer |
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46 | self.starttime = 0 |
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47 | self.update_chisqr = update_chisqr |
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48 | self.source = source |
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49 | |
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50 | def compute(self): |
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51 | """ |
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52 | Compute the data given a model function |
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53 | """ |
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54 | self.starttime = time.time() |
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55 | # Determine appropriate q range |
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56 | if self.qmin is None: |
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57 | self.qmin = 0 |
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58 | if self.qmax is None: |
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59 | if self.data is not None: |
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60 | newx = math.pow(max(math.fabs(self.data.xmax), |
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61 | math.fabs(self.data.xmin)), 2) |
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62 | newy = math.pow(max(math.fabs(self.data.ymax), |
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63 | math.fabs(self.data.ymin)), 2) |
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64 | self.qmax = math.sqrt(newx + newy) |
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65 | |
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66 | if self.data is None: |
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67 | msg = "Compute Calc2D receive data = %s.\n" % str(self.data) |
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68 | raise ValueError(msg) |
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69 | |
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70 | # Define matrix where data will be plotted |
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71 | radius = numpy.sqrt((self.data.qx_data * self.data.qx_data) + \ |
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72 | (self.data.qy_data * self.data.qy_data)) |
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73 | |
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74 | # For theory, qmax is based on 1d qmax |
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75 | # so that must be mulitified by sqrt(2) to get actual max for 2d |
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76 | index_model = (self.qmin <= radius) & (radius <= self.qmax) |
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77 | index_model = index_model & self.data.mask |
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78 | index_model = index_model & numpy.isfinite(self.data.data) |
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79 | |
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80 | if self.smearer is not None: |
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81 | # Set smearer w/ data, model and index. |
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82 | fn = self.smearer |
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83 | fn.set_model(self.model) |
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84 | fn.set_index(index_model) |
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85 | # Calculate smeared Intensity |
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86 | #(by Gaussian averaging): DataLoader/smearing2d/Smearer2D() |
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87 | value = fn.get_value() |
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88 | else: |
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89 | # calculation w/o smearing |
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90 | value = self.model.evalDistribution([ |
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91 | self.data.qx_data[index_model], |
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92 | self.data.qy_data[index_model] |
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93 | ]) |
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94 | output = numpy.zeros(len(self.data.qx_data)) |
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95 | # output default is None |
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96 | # This method is to distinguish between masked |
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97 | #point(nan) and data point = 0. |
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98 | output = output / output |
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99 | # set value for self.mask==True, else still None to Plottools |
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100 | output[index_model] = value |
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101 | elapsed = time.time() - self.starttime |
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102 | |
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103 | if LocalConfig.USING_TWISTED: |
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104 | return (output, |
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105 | self.data, |
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106 | self.page_id, |
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107 | self.model, |
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108 | self.state, |
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109 | self.toggle_mode_on, |
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110 | elapsed, |
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111 | index_model, |
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112 | self.fid, |
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113 | self.qmin, |
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114 | self.qmax, |
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115 | self.weight, |
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116 | self.update_chisqr, |
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117 | self.source) |
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118 | else: |
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119 | self.completefn((output, |
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120 | self.data, |
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121 | self.page_id, |
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122 | self.model, |
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123 | self.state, |
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124 | self.toggle_mode_on, |
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125 | elapsed, |
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126 | index_model, |
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127 | self.fid, |
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128 | self.qmin, |
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129 | self.qmax, |
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130 | self.weight, |
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131 | #qstep=self.qstep, |
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132 | self.update_chisqr, |
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133 | self.source)) |
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134 | |
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135 | |
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136 | class Calc1D(CalcThread): |
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137 | """ |
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138 | Compute 1D data |
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139 | """ |
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140 | def __init__(self, model, |
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141 | page_id, |
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142 | data, |
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143 | fid=None, |
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144 | qmin=None, |
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145 | qmax=None, |
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146 | weight=None, |
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147 | smearer=None, |
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148 | toggle_mode_on=False, |
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149 | state=None, |
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150 | completefn=None, |
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151 | update_chisqr=True, |
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152 | source='model', |
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153 | updatefn=None, |
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154 | yieldtime=0.01, |
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155 | worktime=0.01, |
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156 | exception_handler=None, |
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157 | ): |
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158 | """ |
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159 | """ |
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160 | CalcThread.__init__(self, completefn, updatefn, yieldtime, worktime, |
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161 | exception_handler=exception_handler) |
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162 | self.fid = fid |
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163 | self.data = data |
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164 | self.qmin = qmin |
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165 | self.qmax = qmax |
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166 | self.model = model |
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167 | self.weight = weight |
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168 | self.toggle_mode_on = toggle_mode_on |
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169 | self.state = state |
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170 | self.page_id = page_id |
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171 | self.smearer = smearer |
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172 | self.starttime = 0 |
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173 | self.update_chisqr = update_chisqr |
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174 | self.source = source |
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175 | self.out = None |
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176 | self.index = None |
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177 | |
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178 | def compute(self): |
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179 | """ |
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180 | Compute model 1d value given qmin , qmax , x value |
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181 | """ |
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182 | self.starttime = time.time() |
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183 | output = numpy.zeros((len(self.data.x))) |
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184 | index = (self.qmin <= self.data.x) & (self.data.x <= self.qmax) |
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185 | |
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186 | # If we use a smearer, also return the unsmeared model |
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187 | unsmeared_output = None |
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188 | unsmeared_data = None |
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189 | unsmeared_error = None |
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190 | ##smearer the ouput of the plot |
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191 | if self.smearer is not None: |
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192 | first_bin, last_bin = self.smearer.get_bin_range(self.qmin, |
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193 | self.qmax) |
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194 | mask = self.data.x[first_bin:last_bin+1] |
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195 | unsmeared_output = numpy.zeros((len(self.data.x))) |
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196 | unsmeared_output[first_bin:last_bin+1] = self.model.evalDistribution(mask) |
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197 | output = self.smearer(unsmeared_output, first_bin, last_bin) |
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198 | |
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199 | # Rescale data to unsmeared model |
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200 | # Check that the arrays are compatible. If we only have a model but no data, |
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201 | # the length of data.y will be zero. |
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202 | if isinstance(self.data.y, numpy.ndarray) and output.shape == self.data.y.shape: |
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203 | unsmeared_data = numpy.zeros((len(self.data.x))) |
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204 | unsmeared_error = numpy.zeros((len(self.data.x))) |
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205 | unsmeared_data[first_bin:last_bin+1] = self.data.y[first_bin:last_bin+1]\ |
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206 | * unsmeared_output[first_bin:last_bin+1]\ |
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207 | / output[first_bin:last_bin+1] |
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208 | unsmeared_error[first_bin:last_bin+1] = self.data.dy[first_bin:last_bin+1]\ |
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209 | * unsmeared_output[first_bin:last_bin+1]\ |
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210 | / output[first_bin:last_bin+1] |
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211 | unsmeared_output=unsmeared_output[index] |
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212 | unsmeared_data=unsmeared_data[index] |
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213 | unsmeared_error=unsmeared_error |
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214 | else: |
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215 | output[index] = self.model.evalDistribution(self.data.x[index]) |
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216 | |
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217 | sq_values = None |
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218 | pq_values = None |
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219 | s_model = None |
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220 | p_model = None |
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221 | if isinstance(self.model, MultiplicationModel): |
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222 | s_model = self.model.s_model |
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223 | p_model = self.model.p_model |
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224 | elif hasattr(self.model, "calc_composition_models"): |
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225 | results = self.model.calc_composition_models(self.data.x[index]) |
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226 | if results is not None: |
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227 | pq_values, sq_values = results |
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228 | |
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229 | if pq_values is None or sq_values is None: |
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230 | if p_model is not None and s_model is not None: |
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231 | sq_values = numpy.zeros((len(self.data.x))) |
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232 | pq_values = numpy.zeros((len(self.data.x))) |
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233 | sq_values[index] = s_model.evalDistribution(self.data.x[index]) |
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234 | pq_values[index] = p_model.evalDistribution(self.data.x[index]) |
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235 | |
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236 | elapsed = time.time() - self.starttime |
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237 | |
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238 | if LocalConfig.USING_TWISTED: |
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239 | return (self.data.x[index], output[index], |
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240 | self.page_id, |
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241 | self.state, |
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242 | self.weight, |
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243 | self.fid, |
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244 | self.toggle_mode_on, |
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245 | elapsed, index, self.model, |
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246 | self.data, |
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247 | self.update_chisqr, |
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248 | self.source, |
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249 | unsmeared_output, unsmeared_data, unsmeared_error, |
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250 | pq_values, sq_values) |
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251 | else: |
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252 | self.completefn((self.data.x[index], output[index], |
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253 | self.page_id, |
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254 | self.state, |
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255 | self.weight, |
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256 | self.fid, |
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257 | self.toggle_mode_on, |
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258 | elapsed, index, self.model, |
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259 | self.data, |
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260 | self.update_chisqr, |
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261 | self.source, |
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262 | unsmeared_output, unsmeared_data, unsmeared_error, |
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263 | pq_values, sq_values)) |
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264 | |
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265 | def results(self): |
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266 | """ |
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267 | Send resuts of the computation |
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268 | """ |
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269 | return [self.out, self.index] |
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