1 | """ |
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2 | CanSAS 2D data reader for reading HDF5 formatted CanSAS files. |
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3 | """ |
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4 | |
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5 | import h5py |
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6 | import numpy as np |
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7 | import re |
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8 | import os |
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9 | import sys |
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10 | |
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11 | from sas.sascalc.dataloader.data_info import plottable_1D, plottable_2D, Data1D, Data2D, DataInfo, Process, Aperture |
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12 | from sas.sascalc.dataloader.data_info import Collimation, TransmissionSpectrum, Detector |
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13 | from sas.sascalc.dataloader.data_info import combine_data_info_with_plottable |
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14 | |
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15 | |
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16 | |
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17 | class Reader(): |
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18 | """ |
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19 | A class for reading in CanSAS v2.0 data files. The existing iteration opens Mantid generated HDF5 formatted files |
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20 | with file extension .h5/.H5. Any number of data sets may be present within the file and any dimensionality of data |
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21 | may be used. Currently 1D and 2D SAS data sets are supported, but future implementations will include 1D and 2D |
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22 | SESANS data. |
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23 | |
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24 | Any number of SASdata sets may be present in a SASentry and the data within can be either 1D I(Q) or 2D I(Qx, Qy). |
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25 | |
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26 | Also supports reading NXcanSAS formatted HDF5 files |
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27 | |
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28 | :Dependencies: |
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29 | The CanSAS HDF5 reader requires h5py => v2.5.0 or later. |
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30 | """ |
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31 | |
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32 | ## CanSAS version |
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33 | cansas_version = 2.0 |
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34 | ## Logged warnings or messages |
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35 | logging = None |
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36 | ## List of errors for the current data set |
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37 | errors = None |
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38 | ## Raw file contents to be processed |
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39 | raw_data = None |
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40 | ## Data info currently being read in |
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41 | current_datainfo = None |
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42 | ## SASdata set currently being read in |
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43 | current_dataset = None |
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44 | ## List of plottable1D objects that should be linked to the current_datainfo |
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45 | data1d = None |
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46 | ## List of plottable2D objects that should be linked to the current_datainfo |
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47 | data2d = None |
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48 | ## Data type name |
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49 | type_name = "CanSAS 2.0" |
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50 | ## Wildcards |
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51 | type = ["CanSAS 2.0 HDF5 Files (*.h5)|*.h5"] |
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52 | ## List of allowed extensions |
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53 | ext = ['.h5', '.H5'] |
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54 | ## Flag to bypass extension check |
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55 | allow_all = False |
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56 | ## List of files to return |
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57 | output = None |
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58 | |
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59 | def read(self, filename): |
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60 | """ |
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61 | This is the general read method that all SasView data_loaders must have. |
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62 | |
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63 | :param filename: A path for an HDF5 formatted CanSAS 2D data file. |
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64 | :return: List of Data1D/2D objects and/or a list of errors. |
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65 | """ |
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66 | ## Reinitialize the class when loading a new data file to reset all class variables |
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67 | self.reset_class_variables() |
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68 | ## Check that the file exists |
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69 | if os.path.isfile(filename): |
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70 | basename = os.path.basename(filename) |
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71 | _, extension = os.path.splitext(basename) |
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72 | # If the file type is not allowed, return empty list |
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73 | if extension in self.ext or self.allow_all: |
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74 | ## Load the data file |
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75 | self.raw_data = h5py.File(filename, 'r') |
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76 | ## Read in all child elements of top level SASroot |
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77 | self.read_children(self.raw_data, []) |
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78 | ## Add the last data set to the list of outputs |
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79 | self.add_data_set() |
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80 | ## Close the data file |
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81 | self.raw_data.close() |
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82 | ## Return data set(s) |
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83 | return self.output |
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84 | |
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85 | def reset_class_variables(self): |
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86 | """ |
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87 | Create the reader object and define initial states for class variables |
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88 | """ |
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89 | self.current_datainfo = None |
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90 | self.current_dataset = None |
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91 | self.data1d = [] |
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92 | self.data2d = [] |
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93 | self.raw_data = None |
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94 | self.errors = set() |
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95 | self.logging = [] |
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96 | self.output = [] |
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97 | self.parent_class = u'' |
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98 | self.detector = Detector() |
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99 | self.collimation = Collimation() |
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100 | self.aperture = Aperture() |
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101 | self.process = Process() |
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102 | self.trans_spectrum = TransmissionSpectrum() |
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103 | |
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104 | def read_children(self, data, parent_list): |
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105 | """ |
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106 | A recursive method for stepping through the hierarchical data file. |
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107 | |
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108 | :param data: h5py Group object of any kind |
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109 | :param parent: h5py Group parent name |
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110 | """ |
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111 | |
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112 | ## Loop through each element of the parent and process accordingly |
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113 | for key in data.keys(): |
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114 | ## Get all information for the current key |
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115 | value = data.get(key) |
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116 | if value.attrs.get(u'canSAS_class') is not None: |
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117 | class_name = value.attrs.get(u'canSAS_class') |
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118 | else: |
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119 | class_name = value.attrs.get(u'NX_class') |
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120 | if class_name is not None: |
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121 | class_prog = re.compile(class_name) |
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122 | else: |
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123 | class_prog = re.compile(value.name) |
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124 | |
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125 | if isinstance(value, h5py.Group): |
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126 | self.parent_class = class_name |
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127 | parent_list.append(key) |
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128 | ## If this is a new sasentry, store the current data sets and create a fresh Data1D/2D object |
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129 | if class_prog.match(u'SASentry'): |
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130 | self.add_data_set(key) |
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131 | elif class_prog.match(u'SASdata'): |
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132 | self._initialize_new_data_set(parent_list) |
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133 | ## Recursion step to access data within the group |
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134 | self.read_children(value, parent_list) |
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135 | self.add_intermediate() |
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136 | parent_list.remove(key) |
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137 | |
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138 | elif isinstance(value, h5py.Dataset): |
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139 | ## If this is a dataset, store the data appropriately |
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140 | data_set = data[key][:] |
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141 | unit = self._get_unit(value) |
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142 | |
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143 | ## I and Q Data |
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144 | if key == u'I': |
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145 | if type(self.current_dataset) is plottable_2D: |
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146 | self.current_dataset.data = data_set |
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147 | self.current_dataset.zaxis("Intensity", unit) |
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148 | else: |
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149 | self.current_dataset.y = data_set.flatten() |
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150 | self.current_dataset.yaxis("Intensity", unit) |
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151 | continue |
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152 | elif key == u'Idev': |
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153 | if type(self.current_dataset) is plottable_2D: |
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154 | self.current_dataset.err_data = data_set.flatten() |
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155 | else: |
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156 | self.current_dataset.dy = data_set.flatten() |
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157 | continue |
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158 | elif key == u'Q': |
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159 | self.current_dataset.xaxis("Q", unit) |
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160 | if type(self.current_dataset) is plottable_2D: |
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161 | self.current_dataset.q = data_set.flatten() |
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162 | else: |
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163 | self.current_dataset.x = data_set.flatten() |
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164 | continue |
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165 | elif key == u'Qdev': |
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166 | self.current_dataset.dx = data_set.flatten() |
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167 | continue |
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168 | elif key == u'Qy': |
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169 | self.current_dataset.yaxis("Q_y", unit) |
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170 | self.current_dataset.qy_data = data_set.flatten() |
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171 | continue |
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172 | elif key == u'Qydev': |
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173 | self.current_dataset.dqy_data = data_set.flatten() |
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174 | continue |
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175 | elif key == u'Qx': |
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176 | self.current_dataset.xaxis("Q_x", unit) |
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177 | self.current_dataset.qx_data = data_set.flatten() |
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178 | continue |
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179 | elif key == u'Qxdev': |
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180 | self.current_dataset.dqx_data = data_set.flatten() |
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181 | continue |
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182 | elif key == u'Mask': |
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183 | self.current_dataset.mask = data_set.flatten() |
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184 | continue |
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185 | |
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186 | for data_point in data_set: |
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187 | ## Top Level Meta Data |
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188 | if key == u'definition': |
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189 | self.current_datainfo.meta_data['reader'] = data_point |
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190 | elif key == u'run': |
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191 | self.current_datainfo.run.append(data_point) |
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192 | try: |
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193 | run_name = value.attrs['name'] |
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194 | run_dict = {data_point: run_name} |
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195 | self.current_datainfo.run_name = run_dict |
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196 | except: |
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197 | pass |
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198 | elif key == u'title': |
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199 | self.current_datainfo.title = data_point |
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200 | elif key == u'SASnote': |
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201 | self.current_datainfo.notes.append(data_point) |
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202 | |
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203 | ## Sample Information |
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204 | elif key == u'Title' and self.parent_class == u'SASsample': # CanSAS 2.0 format |
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205 | self.current_datainfo.sample.name = data_point |
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206 | elif key == u'ID' and self.parent_class == u'SASsample': # NXcanSAS format |
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207 | self.current_datainfo.sample.name = data_point |
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208 | elif key == u'thickness' and self.parent_class == u'SASsample': |
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209 | self.current_datainfo.sample.thickness = data_point |
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210 | elif key == u'temperature' and self.parent_class == u'SASsample': |
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211 | self.current_datainfo.sample.temperature = data_point |
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212 | elif key == u'transmission' and self.parent_class == u'SASsample': |
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213 | self.current_datainfo.sample.transmission = data_point |
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214 | elif key == u'x_position' and self.parent_class == u'SASsample': |
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215 | self.current_datainfo.sample.position.x = data_point |
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216 | elif key == u'y_position' and self.parent_class == u'SASsample': |
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217 | self.current_datainfo.sample.position.y = data_point |
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218 | elif key == u'polar_angle' and self.parent_class == u'SASsample': |
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219 | self.current_datainfo.sample.orientation.x = data_point |
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220 | elif key == u'azimuthal_angle' and self.parent_class == u'SASsample': |
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221 | self.current_datainfo.sample.orientation.z = data_point |
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222 | elif key == u'details' and self.parent_class == u'SASsample': |
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223 | self.current_datainfo.sample.details.append(data_point) |
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224 | |
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225 | ## Instrumental Information |
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226 | elif key == u'name' and self.parent_class == u'SASinstrument': |
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227 | self.current_datainfo.instrument = data_point |
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228 | elif key == u'name' and self.parent_class == u'SASdetector': |
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229 | self.detector.name = data_point |
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230 | elif key == u'SDD' and self.parent_class == u'SASdetector': |
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231 | self.detector.distance = float(data_point) |
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232 | self.detector.distance_unit = unit |
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233 | elif key == u'slit_length' and self.parent_class == u'SASdetector': |
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234 | self.detector.slit_length = float(data_point) |
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235 | self.detector.slit_length_unit = unit |
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236 | elif key == u'x_position' and self.parent_class == u'SASdetector': |
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237 | self.detector.offset.x = float(data_point) |
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238 | self.detector.offset_unit = unit |
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239 | elif key == u'y_position' and self.parent_class == u'SASdetector': |
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240 | self.detector.offset.y = float(data_point) |
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241 | self.detector.offset_unit = unit |
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242 | elif key == u'polar_angle' and self.parent_class == u'SASdetector': |
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243 | self.detector.orientation.x = float(data_point) |
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244 | self.detector.orientation_unit = unit |
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245 | elif key == u'azimuthal_angle' and self.parent_class == u'SASdetector': |
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246 | self.detector.orientation.z = float(data_point) |
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247 | self.detector.orientation_unit = unit |
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248 | elif key == u'beam_center_x' and self.parent_class == u'SASdetector': |
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249 | self.detector.beam_center.x = float(data_point) |
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250 | self.detector.beam_center_unit = unit |
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251 | elif key == u'beam_center_y' and self.parent_class == u'SASdetector': |
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252 | self.detector.beam_center.y = float(data_point) |
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253 | self.detector.beam_center_unit = unit |
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254 | elif key == u'x_pixel_size' and self.parent_class == u'SASdetector': |
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255 | self.detector.pixel_size.x = float(data_point) |
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256 | self.detector.pixel_size_unit = unit |
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257 | elif key == u'y_pixel_size' and self.parent_class == u'SASdetector': |
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258 | self.detector.pixel_size.y = float(data_point) |
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259 | self.detector.pixel_size_unit = unit |
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260 | elif key == u'SSD' and self.parent_class == u'SAScollimation': |
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261 | self.collimation.length = data_point |
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262 | self.collimation.length_unit = unit |
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263 | elif key == u'name' and self.parent_class == u'SAScollimation': |
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264 | self.collimation.name = data_point |
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265 | |
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266 | ## Process Information |
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267 | elif key == u'name' and self.parent_class == u'SASprocess': |
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268 | self.process.name = data_point |
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269 | elif key == u'Title' and self.parent_class == u'SASprocess': # CanSAS 2.0 format |
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270 | self.process.name = data_point |
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271 | elif key == u'name' and self.parent_class == u'SASprocess': # NXcanSAS format |
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272 | self.process.name = data_point |
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273 | elif key == u'description' and self.parent_class == u'SASprocess': |
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274 | self.process.description = data_point |
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275 | elif key == u'date' and self.parent_class == u'SASprocess': |
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276 | self.process.date = data_point |
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277 | elif self.parent_class == u'SASprocess': |
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278 | self.process.notes.append(data_point) |
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279 | |
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280 | ## Transmission Spectrum |
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281 | elif key == u'T' and self.parent_class == u'SAStransmission_spectrum': |
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282 | self.trans_spectrum.transmission.append(data_point) |
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283 | elif key == u'Tdev' and self.parent_class == u'SAStransmission_spectrum': |
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284 | self.trans_spectrum.transmission_deviation.append(data_point) |
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285 | elif key == u'lambda' and self.parent_class == u'SAStransmission_spectrum': |
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286 | self.trans_spectrum.wavelength.append(data_point) |
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287 | |
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288 | ## Source |
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289 | elif key == u'wavelength' and self.parent_class == u'SASdata': |
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290 | self.current_datainfo.source.wavelength = data_point |
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291 | self.current_datainfo.source.wavelength_unit = unit |
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292 | elif key == u'incident_wavelength' and self.parent_class == u'SASsource': |
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293 | self.current_datainfo.source.wavelength = data_point |
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294 | self.current_datainfo.source.wavelength_unit = unit |
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295 | elif key == u'wavelength_max' and self.parent_class == u'SASsource': |
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296 | self.current_datainfo.source.wavelength_max = data_point |
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297 | self.current_datainfo.source.wavelength_max_unit = unit |
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298 | elif key == u'wavelength_min' and self.parent_class == u'SASsource': |
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299 | self.current_datainfo.source.wavelength_min = data_point |
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300 | self.current_datainfo.source.wavelength_min_unit = unit |
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301 | elif key == u'wavelength_spread' and self.parent_class == u'SASsource': |
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302 | self.current_datainfo.source.wavelength_spread = data_point |
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303 | self.current_datainfo.source.wavelength_spread_unit = unit |
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304 | elif key == u'beam_size_x' and self.parent_class == u'SASsource': |
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305 | self.current_datainfo.source.beam_size.x = data_point |
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306 | self.current_datainfo.source.beam_size_unit = unit |
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307 | elif key == u'beam_size_y' and self.parent_class == u'SASsource': |
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308 | self.current_datainfo.source.beam_size.y = data_point |
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309 | self.current_datainfo.source.beam_size_unit = unit |
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310 | elif key == u'beam_shape' and self.parent_class == u'SASsource': |
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311 | self.current_datainfo.source.beam_shape = data_point |
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312 | elif key == u'radiation' and self.parent_class == u'SASsource': |
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313 | self.current_datainfo.source.radiation = data_point |
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314 | elif key == u'transmission' and self.parent_class == u'SASdata': |
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315 | self.current_datainfo.sample.transmission = data_point |
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316 | |
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317 | ## Everything else goes in meta_data |
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318 | else: |
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319 | new_key = self._create_unique_key(self.current_datainfo.meta_data, key) |
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320 | self.current_datainfo.meta_data[new_key] = data_point |
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321 | |
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322 | else: |
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323 | ## I don't know if this reachable code |
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324 | self.errors.add("ShouldNeverHappenException") |
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325 | |
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326 | def add_intermediate(self): |
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327 | """ |
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328 | This method stores any intermediate objects within the final data set after fully reading the set. |
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329 | |
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330 | :param parent: The NXclass name for the h5py Group object that just finished being processed |
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331 | """ |
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332 | |
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333 | if self.parent_class == u'SASprocess': |
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334 | self.current_datainfo.process.append(self.process) |
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335 | self.process = Process() |
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336 | elif self.parent_class == u'SASdetector': |
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337 | self.current_datainfo.detector.append(self.detector) |
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338 | self.detector = Detector() |
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339 | elif self.parent_class == u'SAStransmission_spectrum': |
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340 | self.current_datainfo.trans_spectrum.append(self.trans_spectrum) |
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341 | self.trans_spectrum = TransmissionSpectrum() |
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342 | elif self.parent_class == u'SAScollimation': |
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343 | self.current_datainfo.collimation.append(self.collimation) |
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344 | self.collimation = Collimation() |
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345 | elif self.parent_class == u'SASaperture': |
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346 | self.collimation.aperture.append(self.aperture) |
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347 | self.aperture = Aperture() |
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348 | elif self.parent_class == u'SASdata': |
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349 | if type(self.current_dataset) is plottable_2D: |
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350 | self.data2d.append(self.current_dataset) |
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351 | elif type(self.current_dataset) is plottable_1D: |
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352 | self.data1d.append(self.current_dataset) |
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353 | |
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354 | def final_data_cleanup(self): |
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355 | """ |
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356 | Does some final cleanup and formatting on self.current_datainfo and all data1D and data2D objects and then |
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357 | combines the data and info into Data1D and Data2D objects |
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358 | """ |
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359 | |
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360 | ## Type cast data arrays to float64 |
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361 | if len(self.current_datainfo.trans_spectrum) > 0: |
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362 | spectrum_list = [] |
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363 | for spectrum in self.current_datainfo.trans_spectrum: |
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364 | spectrum.transmission = np.delete(spectrum.transmission, [0]) |
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365 | spectrum.transmission = spectrum.transmission.astype(np.float64) |
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366 | spectrum.transmission_deviation = np.delete(spectrum.transmission_deviation, [0]) |
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367 | spectrum.transmission_deviation = spectrum.transmission_deviation.astype(np.float64) |
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368 | spectrum.wavelength = np.delete(spectrum.wavelength, [0]) |
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369 | spectrum.wavelength = spectrum.wavelength.astype(np.float64) |
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370 | if len(spectrum.transmission) > 0: |
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371 | spectrum_list.append(spectrum) |
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372 | self.current_datainfo.trans_spectrum = spectrum_list |
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373 | |
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374 | ## Append errors to dataset and reset class errors |
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375 | self.current_datainfo.errors = self.errors |
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376 | self.errors.clear() |
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377 | |
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378 | ## Combine all plottables with datainfo and append each to output |
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379 | ## Type cast data arrays to float64 and find min/max as appropriate |
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380 | for dataset in self.data2d: |
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381 | dataset.data = dataset.data.astype(np.float64) |
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382 | dataset.err_data = dataset.err_data.astype(np.float64) |
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383 | if dataset.qx_data is not None: |
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384 | dataset.xmin = np.min(dataset.qx_data) |
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385 | dataset.xmax = np.max(dataset.qx_data) |
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386 | dataset.qx_data = dataset.qx_data.astype(np.float64) |
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387 | if dataset.dqx_data is not None: |
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388 | dataset.dqx_data = dataset.dqx_data.astype(np.float64) |
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389 | if dataset.qy_data is not None: |
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390 | dataset.ymin = np.min(dataset.qy_data) |
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391 | dataset.ymax = np.max(dataset.qy_data) |
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392 | dataset.qy_data = dataset.qy_data.astype(np.float64) |
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393 | if dataset.dqy_data is not None: |
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394 | dataset.dqy_data = dataset.dqy_data.astype(np.float64) |
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395 | if dataset.q_data is not None: |
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396 | dataset.q_data = dataset.q_data.astype(np.float64) |
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397 | zeros = np.ones(dataset.data.size, dtype=bool) |
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398 | try: |
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399 | for i in range (0, dataset.mask.size - 1): |
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400 | zeros[i] = dataset.mask[i] |
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401 | except: |
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402 | self.errors.add(sys.exc_value) |
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403 | dataset.mask = zeros |
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404 | ## Calculate the actual Q matrix |
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405 | try: |
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406 | if dataset.q_data.size <= 1: |
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407 | dataset.q_data = np.sqrt(dataset.qx_data * dataset.qx_data + dataset.qy_data * dataset.qy_data) |
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408 | except: |
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409 | dataset.q_data = None |
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410 | |
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411 | if dataset.data.ndim == 2: |
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412 | (n_rows, n_cols) = dataset.data.shape |
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413 | dataset.y_bins = dataset.qy_data[0::n_cols] |
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414 | dataset.x_bins = dataset.qx_data[:n_cols] |
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415 | dataset.data = dataset.data.flatten() |
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416 | |
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417 | final_dataset = combine_data_info_with_plottable(dataset, self.current_datainfo) |
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418 | self.output.append(final_dataset) |
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419 | |
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420 | for dataset in self.data1d: |
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421 | if dataset.x is not None: |
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422 | dataset.x = dataset.x.astype(np.float64) |
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423 | dataset.xmin = np.min(dataset.x) |
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424 | dataset.xmax = np.max(dataset.x) |
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425 | if dataset.y is not None: |
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426 | dataset.y = dataset.y.astype(np.float64) |
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427 | dataset.ymin = np.min(dataset.y) |
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428 | dataset.ymax = np.max(dataset.y) |
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429 | if dataset.dx is not None: |
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430 | dataset.dx = dataset.dx.astype(np.float64) |
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431 | if dataset.dxl is not None: |
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432 | dataset.dxl = dataset.dxl.astype(np.float64) |
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433 | if dataset.dxw is not None: |
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434 | dataset.dxw = dataset.dxw.astype(np.float64) |
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435 | if dataset.dy is not None: |
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436 | dataset.dy = dataset.dy.astype(np.float64) |
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437 | final_dataset = combine_data_info_with_plottable(dataset, self.current_datainfo) |
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438 | self.output.append(final_dataset) |
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439 | |
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440 | def add_data_set(self, key=""): |
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441 | """ |
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442 | Adds the current_dataset to the list of outputs after preforming final processing on the data and then calls a |
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443 | private method to generate a new data set. |
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444 | |
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445 | :param key: NeXus group name for current tree level |
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446 | """ |
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447 | |
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448 | if self.current_datainfo and self.current_dataset: |
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449 | self.final_data_cleanup() |
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450 | self.data1d = [] |
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451 | self.data2d = [] |
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452 | self.current_datainfo = DataInfo() |
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453 | |
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454 | |
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455 | def _initialize_new_data_set(self, parent_list = None): |
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456 | """ |
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457 | A private class method to generate a new 1D or 2D data object based on the type of data within the set. |
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458 | Outside methods should call add_data_set() to be sure any existing data is stored properly. |
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459 | |
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460 | :param parent_list: List of names of parent elements |
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461 | """ |
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462 | |
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463 | if parent_list is None: |
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464 | parent_list = [] |
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465 | if self._find_intermediate(parent_list, "Qx"): |
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466 | self.current_dataset = plottable_2D() |
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467 | else: |
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468 | x = np.array(0) |
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469 | y = np.array(0) |
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470 | self.current_dataset = plottable_1D(x, y) |
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471 | self.current_datainfo.filename = self.raw_data.filename |
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472 | |
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473 | def _find_intermediate(self, parent_list, basename=""): |
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474 | """ |
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475 | A private class used to find an entry by either using a direct key or knowing the approximate basename. |
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476 | |
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477 | :param parent_list: List of parents to the current level in the HDF5 file |
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478 | :param basename: Approximate name of an entry to search for |
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479 | :return: |
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480 | """ |
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481 | |
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482 | entry = False |
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483 | key_prog = re.compile(basename) |
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484 | top = self.raw_data |
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485 | for parent in parent_list: |
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486 | top = top.get(parent) |
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487 | for key in top.keys(): |
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488 | if (key_prog.match(key)): |
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489 | entry = True |
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490 | break |
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491 | return entry |
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492 | |
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493 | def _create_unique_key(self, dictionary, name, numb=0): |
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494 | """ |
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495 | Create a unique key value for any dictionary to prevent overwriting |
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496 | Recurses until a unique key value is found. |
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497 | |
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498 | :param dictionary: A dictionary with any number of entries |
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499 | :param name: The index of the item to be added to dictionary |
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500 | :param numb: The number to be appended to the name, starts at 0 |
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501 | :return: The new name for the dictionary entry |
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502 | """ |
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503 | if dictionary.get(name) is not None: |
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504 | numb += 1 |
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505 | name = name.split("_")[0] |
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506 | name += "_{0}".format(numb) |
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507 | name = self._create_unique_key(dictionary, name, numb) |
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508 | return name |
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509 | |
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510 | def _get_unit(self, value): |
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511 | """ |
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512 | Find the unit for a particular value within the h5py dictionary |
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513 | |
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514 | :param value: attribute dictionary for a particular value set |
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515 | :return: unit for the value passed to the method |
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516 | """ |
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517 | unit = value.attrs.get(u'units') |
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518 | if unit == None: |
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519 | unit = value.attrs.get(u'unit') |
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520 | ## Convert the unit formats |
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521 | if unit == "1/A": |
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522 | unit = "A^{-1}" |
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523 | elif unit == "1/cm": |
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524 | unit = "cm^{-1}" |
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525 | return unit |
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