1 | from mantid.simpleapi import * |
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2 | from mantid.api import DataProcessorAlgorithm, AlgorithmFactory, MatrixWorkspaceProperty, PropertyMode |
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3 | from mantid.kernel import StringMandatoryValidator, Direction, logger |
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4 | |
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5 | |
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6 | class IndirectFlatPlateAbsorption(DataProcessorAlgorithm): |
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7 | |
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8 | def category(self): |
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9 | return "Workflow\\Inelastic;PythonAlgorithms;CorrectionFunctions\\AbsorptionCorrections;Workflow\\MIDAS" |
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10 | |
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11 | |
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12 | def summary(self): |
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13 | return "Calculates indirect absorption corrections for a flat sample shape." |
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14 | |
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15 | |
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16 | def PyInit(self): |
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17 | self.declareProperty(MatrixWorkspaceProperty('SampleWorkspace', '', direction=Direction.Input), |
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18 | doc='Sample workspace.') |
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19 | self.declareProperty(name='SampleChemicalFormula', defaultValue='', validator=StringMandatoryValidator(), |
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20 | doc='Chemical formula for the sample') |
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21 | self.declareProperty(name='SampleNumberDensity', defaultValue=0.1, doc='Sample number density') |
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22 | self.declareProperty(name='SampleHeight', defaultValue=0.0, doc='Sample height') |
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23 | self.declareProperty(name='SampleWidth', defaultValue=0.0, doc='Sample width') |
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24 | self.declareProperty(name='SampleThickness', defaultValue=0.0, doc='Sample thickness') |
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25 | |
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26 | self.declareProperty(MatrixWorkspaceProperty('CanWorkspace', '', optional=PropertyMode.Optional, |
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27 | direction=Direction.Input), |
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28 | doc='Container workspace.') |
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29 | self.declareProperty(name='UseCanCorrections', defaultValue=False, doc='Use can corrections in subtraction') |
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30 | self.declareProperty(name='CanChemicalFormula', defaultValue='', validator=StringMandatoryValidator(), |
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31 | doc='Chemical formula for the Container') |
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32 | self.declareProperty(name='CanNumberDensity', defaultValue=0.1, doc='Container number density') |
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33 | self.declareProperty(name='CanThickness1', defaultValue=0.0, doc='Can thickness1 - front') |
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34 | self.declareProperty(name='CanThickness2', defaultValue=0.0, doc='Can thickness2 - back') |
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35 | self.declareProperty(name='CanScaleFactor', defaultValue=1.0, doc='Scale factor to multiply can data') |
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36 | |
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37 | self.declareProperty(name='ElementSize', defaultValue=0.1, doc='Element size in mm') |
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38 | self.declareProperty(name='Plot', defaultValue=False, doc='Plot options') |
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39 | |
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40 | self.declareProperty(MatrixWorkspaceProperty('OutputWorkspace', '', direction=Direction.Output), |
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41 | doc='The output corrected workspace.') |
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42 | |
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43 | self.declareProperty(MatrixWorkspaceProperty('CorrectionsWorkspace', '', direction=Direction.Output, |
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44 | optional=PropertyMode.Optional), |
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45 | doc='The corrections workspace for scattering and absorptions in sample.') |
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46 | |
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47 | def PyExec(self): |
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48 | from IndirectCommon import getEfixed, addSampleLogs |
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49 | |
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50 | self._setup() |
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51 | efixed = getEfixed(self._sample_ws) |
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52 | |
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53 | sample_wave_ws = '__sam_wave' |
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54 | ConvertUnits(InputWorkspace=self._sample_ws, OutputWorkspace=sample_wave_ws, |
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55 | Target='Wavelength', EMode='Indirect', EFixed=efixed) |
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56 | |
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57 | SetSampleMaterial(sample_wave_ws, ChemicalFormula=self._sample_chemical_formula, SampleNumberDensity=self._sample_number_density) |
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58 | |
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59 | FlatPlateAbsorption(InputWorkspace=sample_wave_ws, |
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60 | OutputWorkspace=self._ass_ws, |
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61 | SampleHeight=self._sample_height, |
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62 | SampleWidth=self._sample_width, |
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63 | SampleThickness=self._sample_thickness, |
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64 | ElementSize=self._element_size, |
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65 | EMode='Indirect', |
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66 | EFixed=efixed, |
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67 | NumberOfWavelengthPoints=10) |
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68 | |
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69 | plot_data = [self._output_ws, self._sample_ws] |
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70 | plot_corr = [self._ass_ws] |
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71 | group = self._ass_ws |
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72 | |
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73 | if self._can_ws_name is not None: |
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74 | can_wave_ws = '__can_wave' |
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75 | ConvertUnits(InputWorkspace=self._can_ws_name, OutputWorkspace=can_wave_ws, |
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76 | Target='Wavelength', EMode='Indirect', EFixed=efixed) |
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77 | if self._can_scale != 1.0: |
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78 | logger.information('Scaling can by: ' + str(self._can_scale)) |
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79 | Scale(InputWorkspace=can_wave_ws, OutputWorkspace=can_wave_ws, Factor=self._can_scale, Operation='Multiply') |
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80 | |
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81 | if self._use_can_corrections: |
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82 | Divide(LHSWorkspace=sample_wave_ws, RHSWorkspace=self._ass_ws, OutputWorkspace=sample_wave_ws) |
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83 | |
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84 | SetSampleMaterial(can_wave_ws, ChemicalFormula=self._can_chemical_formula, SampleNumberDensity=self._can_number_density) |
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85 | FlatPlateAbsorption(InputWorkspace=can_wave_ws, |
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86 | OutputWorkspace=self._acc_ws, |
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87 | SampleHeight=self._sample_height, |
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88 | SampleWidth=self._sample_width, |
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89 | SampleThickness=self._can_thickness1 + self._can_thickness2, |
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90 | ElementSize=self._element_size, |
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91 | EMode='Indirect', |
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92 | EFixed=efixed, |
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93 | NumberOfWavelengthPoints=10) |
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94 | |
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95 | Divide(LHSWorkspace=can_wave_ws, RHSWorkspace=self._acc_ws, OutputWorkspace=can_wave_ws) |
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96 | Minus(LHSWorkspace=sample_wave_ws, RHSWorkspace=can_wave_ws, OutputWorkspace=sample_wave_ws) |
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97 | plot_corr.append(self._acc_ws) |
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98 | group += ',' + self._acc_ws |
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99 | |
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100 | else: |
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101 | Minus(LHSWorkspace=sample_wave_ws, RHSWorkspace=can_wave_ws, OutputWorkspace=sample_wave_ws) |
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102 | Divide(LHSWorkspace=sample_wave_ws, RHSWorkspace=self._ass_ws, OutputWorkspace=sample_wave_ws) |
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103 | |
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104 | DeleteWorkspace(can_wave_ws) |
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105 | plot_data.append(self._can_ws_name) |
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106 | |
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107 | else: |
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108 | Divide(LHSWorkspace=sample_wave_ws, RHSWorkspace=self._ass_ws, OutputWorkspace=sample_wave_ws) |
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109 | |
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110 | ConvertUnits(InputWorkspace=sample_wave_ws, OutputWorkspace=self._output_ws, |
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111 | Target='DeltaE', EMode='Indirect', EFixed=efixed) |
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112 | DeleteWorkspace(sample_wave_ws) |
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113 | |
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114 | sample_logs = {'sample_shape': 'flatplate', |
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115 | 'sample_filename': self._sample_ws, |
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116 | 'sample_height': self._sample_height, |
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117 | 'sample_width': self._sample_width, |
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118 | 'sample_thickness': self._sample_thickness, |
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119 | 'element_size': self._element_size} |
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120 | addSampleLogs(self._ass_ws, sample_logs) |
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121 | addSampleLogs(self._output_ws, sample_logs) |
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122 | |
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123 | if self._can_ws_name is not None: |
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124 | AddSampleLog(Workspace=self._output_ws, LogName='can_filename', LogType='String', LogText=str(self._can_ws_name)) |
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125 | AddSampleLog(Workspace=self._output_ws, LogName='can_scale', LogType='String', LogText=str(self._can_scale)) |
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126 | if self._use_can_corrections: |
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127 | addSampleLogs(self._acc_ws, sample_logs) |
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128 | AddSampleLog(Workspace=self._acc_ws, LogName='can_filename', LogType='String', LogText=str(self._can_ws_name)) |
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129 | AddSampleLog(Workspace=self._acc_ws, LogName='can_scale', LogType='String', LogText=str(self._can_scale)) |
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130 | AddSampleLog(Workspace=self._output_ws, LogName='can_thickness1', LogType='String', LogText=str(self._can_thickness1)) |
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131 | AddSampleLog(Workspace=self._output_ws, LogName='can_thickness2', LogType='String', LogText=str(self._can_thickness2)) |
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132 | |
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133 | self.setProperty('OutputWorkspace', self._output_ws) |
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134 | |
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135 | # Output the Ass workspace if it is wanted, delete if not |
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136 | if self._abs_ws == '': |
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137 | DeleteWorkspace(self._ass_ws) |
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138 | if self._can_ws_name is not None: |
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139 | if self._use_can_corrections: |
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140 | DeleteWorkspace(self._acc_ws) |
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141 | else: |
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142 | group_name = self._abs_ws + '_abs' |
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143 | GroupWorkspaces(InputWorkspaces=group, OutputWorkspace=group_name) |
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144 | self.setProperty('CorrectionsWorkspace', group_name) |
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145 | |
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146 | if self._plot: |
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147 | from IndirectImport import import_mantidplot |
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148 | mantid_plot = import_mantidplot() |
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149 | mantid_plot.plotSpectrum(plot_data, 0) |
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150 | mantid_plot.plotSpectrum(plot_corr, 0) |
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151 | |
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152 | def _setup(self): |
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153 | """ |
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154 | Get algorithm properties. |
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155 | """ |
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156 | |
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157 | self._sample_ws = self.getPropertyValue('SampleWorkspace') |
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158 | self._sample_chemical_formula = self.getPropertyValue('SampleChemicalFormula') |
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159 | self._sample_number_density = self.getProperty('SampleNumberDensity').value |
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160 | self._sample_height = self.getProperty('SampleHeight').value |
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161 | self._sample_width = self.getProperty('SampleWidth').value |
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162 | self._sample_thickness = self.getProperty('SampleThickness').value |
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163 | |
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164 | self._can_ws_name = self.getPropertyValue('CanWorkspace') |
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165 | if self._can_ws_name == '': |
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166 | self._can_ws_name = None |
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167 | self._use_can_corrections = self.getProperty('UseCanCorrections').value |
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168 | self._can_chemical_formula = self.getPropertyValue('CanChemicalFormula') |
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169 | self._can_number_density = self.getProperty('CanNumberDensity').value |
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170 | self._can_thickness1 = self.getProperty('CanThickness1').value |
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171 | self._can_thickness2 = self.getProperty('CanThickness2').value |
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172 | self._can_scale = self.getProperty('CanScaleFactor').value |
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173 | |
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174 | self._element_size = self.getProperty('ElementSize').value |
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175 | self._plot = self.getProperty('Plot').value |
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176 | self._output_ws = self.getPropertyValue('OutputWorkspace') |
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177 | |
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178 | self._abs_ws = self.getPropertyValue('CorrectionsWorkspace') |
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179 | if self._abs_ws == '': |
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180 | self._ass_ws = '__ass' |
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181 | self._acc_ws = '__acc' |
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182 | else: |
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183 | self._ass_ws = self._abs_ws + '_ass' |
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184 | self._acc_ws = self._abs_ws + '_acc' |
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185 | |
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186 | # Register algorithm with Mantid |
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187 | AlgorithmFactory.subscribe(IndirectFlatPlateAbsorption) |
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