1 | import numpy as np |
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2 | |
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3 | from sas.qtgui.Plotting.PlotterData import Data1D |
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4 | from sas.qtgui.Plotting.PlotterData import Data2D |
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5 | |
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6 | from sas.sascalc.dataloader.data_info import Detector |
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7 | from sas.sascalc.dataloader.data_info import Source |
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8 | |
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9 | |
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10 | class FittingLogic(object): |
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11 | """ |
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12 | All the data-related logic. This class deals exclusively with Data1D/2D |
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13 | No QStandardModelIndex here. |
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14 | """ |
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15 | def __init__(self, data=None): |
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16 | self._data = data |
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17 | self.data_is_loaded = False |
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18 | #dq data presence in the dataset |
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19 | self.dq_flag = False |
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20 | #di data presence in the dataset |
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21 | self.di_flag = False |
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22 | if data is not None: |
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23 | self.data_is_loaded = True |
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24 | self.setDataProperties() |
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25 | |
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26 | @property |
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27 | def data(self): |
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28 | return self._data |
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29 | |
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30 | @data.setter |
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31 | def data(self, value): |
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32 | """ data setter """ |
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33 | self._data = value |
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34 | self.data_is_loaded = True |
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35 | self.setDataProperties() |
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36 | |
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37 | def isLoadedData(self): |
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38 | """ accessor """ |
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39 | return self.data_is_loaded |
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40 | |
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41 | def setDataProperties(self): |
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42 | """ |
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43 | Analyze data and set up some properties important for |
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44 | the Presentation layer |
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45 | """ |
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46 | if self._data.__class__.__name__ == "Data2D": |
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47 | if self._data.err_data is not None and np.any(self._data.err_data): |
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48 | self.di_flag = True |
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49 | if self._data.dqx_data is not None and np.any(self._data.dqx_data): |
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50 | self.dq_flag = True |
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51 | else: |
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52 | if self._data.dy is not None and np.any(self._data.dy): |
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53 | self.di_flag = True |
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54 | if self._data.dx is not None and np.any(self._data.dx): |
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55 | self.dq_flag = True |
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56 | elif self._data.dxl is not None and np.any(self._data.dxl): |
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57 | self.dq_flag = True |
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58 | |
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59 | def createDefault1dData(self, interval, tab_id=0): |
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60 | """ |
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61 | Create default data for fitting perspective |
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62 | Only when the page is on theory mode. |
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63 | """ |
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64 | self._data = Data1D(x=interval) |
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65 | self._data.xaxis('\\rm{Q}', "A^{-1}") |
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66 | self._data.yaxis('\\rm{Intensity}', "cm^{-1}") |
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67 | self._data.is_data = False |
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68 | self._data.id = str(tab_id) + " data" |
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69 | self._data.group_id = str(tab_id) + " Model1D" |
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70 | |
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71 | def createDefault2dData(self, qmax, qstep, tab_id=0): |
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72 | """ |
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73 | Create 2D data by default |
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74 | Only when the page is on theory mode. |
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75 | """ |
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76 | self._data = Data2D() |
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77 | self._data.xaxis('\\rm{Q_{x}}', 'A^{-1}') |
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78 | self._data.yaxis('\\rm{Q_{y}}', 'A^{-1}') |
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79 | self._data.is_data = False |
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80 | self._data.id = str(tab_id) + " data" |
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81 | self._data.group_id = str(tab_id) + " Model2D" |
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82 | |
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83 | # Default detector |
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84 | self._data.detector.append(Detector()) |
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85 | index = len(self._data.detector) - 1 |
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86 | self._data.detector[index].distance = 8000 # mm |
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87 | self._data.source.wavelength = 6 # A |
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88 | self._data.detector[index].pixel_size.x = 5 # mm |
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89 | self._data.detector[index].pixel_size.y = 5 # mm |
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90 | self._data.detector[index].beam_center.x = qmax |
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91 | self._data.detector[index].beam_center.y = qmax |
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92 | # theory default: assume the beam |
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93 | #center is located at the center of sqr detector |
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94 | xmax = qmax |
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95 | xmin = -qmax |
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96 | ymax = qmax |
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97 | ymin = -qmax |
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98 | |
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99 | x = np.linspace(start=xmin, stop=xmax, num=qstep, endpoint=True) |
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100 | y = np.linspace(start=ymin, stop=ymax, num=qstep, endpoint=True) |
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101 | # Use data info instead |
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102 | new_x = np.tile(x, (len(y), 1)) |
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103 | new_y = np.tile(y, (len(x), 1)) |
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104 | new_y = new_y.swapaxes(0, 1) |
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105 | |
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106 | # all data required in 1d array |
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107 | qx_data = new_x.flatten() |
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108 | qy_data = new_y.flatten() |
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109 | q_data = np.sqrt(qx_data * qx_data + qy_data * qy_data) |
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110 | |
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111 | # set all True (standing for unmasked) as default |
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112 | mask = np.ones(len(qx_data), dtype=bool) |
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113 | # calculate the range of qx and qy: this way, |
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114 | # it is a little more independent |
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115 | # store x and y bin centers in q space |
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116 | x_bins = x |
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117 | y_bins = y |
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118 | |
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119 | self._data.source = Source() |
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120 | self._data.data = np.ones(len(mask)) |
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121 | self._data.err_data = np.ones(len(mask)) |
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122 | self._data.qx_data = qx_data |
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123 | self._data.qy_data = qy_data |
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124 | self._data.q_data = q_data |
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125 | self._data.mask = mask |
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126 | self._data.x_bins = x_bins |
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127 | self._data.y_bins = y_bins |
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128 | # max and min taking account of the bin sizes |
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129 | self._data.xmin = xmin |
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130 | self._data.xmax = xmax |
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131 | self._data.ymin = ymin |
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132 | self._data.ymax = ymax |
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133 | |
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134 | def _create1DPlot(self, tab_id, x, y, model, data, component=None): |
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135 | """ |
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136 | For internal use: create a new 1D data instance based on fitting results. |
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137 | 'component' is a string indicating the model component, e.g. "P(Q)" |
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138 | """ |
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139 | # Create the new plot |
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140 | new_plot = Data1D(x=x, y=y) |
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141 | new_plot.is_data = False |
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142 | new_plot.dy = np.zeros(len(y)) |
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143 | _yaxis, _yunit = data.get_yaxis() |
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144 | _xaxis, _xunit = data.get_xaxis() |
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145 | |
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146 | new_plot.group_id = data.group_id |
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147 | new_plot.id = str(tab_id) + " " + ("[" + component + "] " if component else "") + model.id |
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148 | |
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149 | # use data.filename for data, use model.id for theory |
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150 | id_str = data.filename if data.filename else model.id |
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151 | new_plot.name = model.name + ((" " + component) if component else "") + " [" + id_str + "]" |
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152 | |
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153 | new_plot.title = new_plot.name |
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154 | new_plot.xaxis(_xaxis, _xunit) |
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155 | new_plot.yaxis(_yaxis, _yunit) |
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156 | |
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157 | return new_plot |
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158 | |
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159 | def new1DPlot(self, return_data, tab_id): |
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160 | """ |
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161 | Create a new 1D data instance based on fitting results |
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162 | """ |
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163 | return self._create1DPlot(tab_id, return_data['x'], return_data['y'], |
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164 | return_data['model'], return_data['data']) |
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165 | |
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166 | def new2DPlot(self, return_data): |
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167 | """ |
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168 | Create a new 2D data instance based on fitting results |
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169 | """ |
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170 | image = return_data['image'] |
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171 | data = return_data['data'] |
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172 | model = return_data['model'] |
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173 | |
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174 | np.nan_to_num(image) |
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175 | new_plot = Data2D(image=image, err_image=data.err_data) |
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176 | new_plot.name = model.name + '2d' |
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177 | new_plot.title = "Analytical model 2D " |
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178 | new_plot.id = str(return_data['page_id']) + " " + data.name |
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179 | new_plot.group_id = str(return_data['page_id']) + " Model2D" |
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180 | new_plot.detector = data.detector |
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181 | new_plot.source = data.source |
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182 | new_plot.is_data = False |
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183 | new_plot.qx_data = data.qx_data |
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184 | new_plot.qy_data = data.qy_data |
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185 | new_plot.q_data = data.q_data |
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186 | new_plot.mask = data.mask |
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187 | ## plot boundaries |
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188 | new_plot.ymin = data.ymin |
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189 | new_plot.ymax = data.ymax |
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190 | new_plot.xmin = data.xmin |
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191 | new_plot.xmax = data.xmax |
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192 | |
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193 | title = data.title |
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194 | |
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195 | new_plot.is_data = False |
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196 | if data.is_data: |
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197 | data_name = str(data.name) |
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198 | else: |
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199 | data_name = str(model.__class__.__name__) + '2d' |
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200 | |
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201 | if len(title) > 1: |
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202 | new_plot.title = "Model2D for %s " % model.name + data_name |
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203 | new_plot.name = model.name + " [" + \ |
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204 | data_name + "]" |
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205 | |
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206 | return new_plot |
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207 | |
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208 | def new1DProductPlots(self, return_data, tab_id): |
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209 | """ |
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210 | If return_data contains separated P(Q) and/or S(Q) data, create 1D plots for each and return as the tuple |
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211 | (pq_plot, sq_plot). If either are unavailable, the corresponding plot is None. |
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212 | """ |
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213 | plots = [] |
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214 | for name, result in return_data['intermediate_results'].items(): |
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215 | plots.append(self._create1DPlot(tab_id, return_data['x'], result, |
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216 | return_data['model'], return_data['data'], |
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217 | component=name)) |
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218 | return plots |
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219 | |
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220 | def computeDataRange(self): |
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221 | """ |
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222 | Wrapper for calculating the data range based on local dataset |
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223 | """ |
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224 | return self.computeRangeFromData(self.data) |
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225 | |
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226 | def computeRangeFromData(self, data): |
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227 | """ |
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228 | Compute the minimum and the maximum range of the data |
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229 | return the npts contains in data |
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230 | """ |
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231 | qmin, qmax, npts = None, None, None |
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232 | if isinstance(data, Data1D): |
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233 | try: |
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234 | qmin = min(data.x) |
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235 | qmax = max(data.x) |
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236 | npts = len(data.x) |
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237 | except (ValueError, TypeError): |
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238 | msg = "Unable to find min/max/length of \n data named %s" % \ |
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239 | self.data.filename |
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240 | raise ValueError(msg) |
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241 | |
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242 | else: |
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243 | qmin = 0 |
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244 | try: |
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245 | x = max(np.fabs(data.xmin), np.fabs(data.xmax)) |
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246 | y = max(np.fabs(data.ymin), np.fabs(data.ymax)) |
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247 | except (ValueError, TypeError): |
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248 | msg = "Unable to find min/max of \n data named %s" % \ |
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249 | self.data.filename |
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250 | raise ValueError(msg) |
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251 | qmax = np.sqrt(x * x + y * y) |
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252 | npts = len(data.data) |
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253 | return qmin, qmax, npts |
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