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 IndirectAnnulusAbsorption(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 an annulus 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 | |
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20 | self.declareProperty(name='SampleChemicalFormula', defaultValue='', validator=StringMandatoryValidator(), |
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21 | doc='Chemical formula for the sample') |
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22 | self.declareProperty(name='SampleNumberDensity', defaultValue=0.1, doc='Sample number density') |
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23 | self.declareProperty(name='SampleInnerRadius', defaultValue=0.0, doc='Sample radius') |
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24 | self.declareProperty(name='SampleOuterRadius', defaultValue=0.0, doc='Sample radius') |
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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 can') |
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32 | self.declareProperty(name='CanNumberDensity', defaultValue=0.1, doc='Can number density') |
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33 | self.declareProperty(name='CanInnerRadius', defaultValue=0.0, doc='Sample radius') |
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34 | self.declareProperty(name='CanOuterRadius', defaultValue=0.0, doc='Sample radius') |
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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='Events', defaultValue=5000, doc='Number of neutron events') |
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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 | |
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48 | def PyExec(self): |
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49 | from IndirectCommon import getEfixed, addSampleLogs |
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50 | |
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51 | self._setup() |
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52 | |
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53 | efixed = getEfixed(self._sample_ws_name) |
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54 | |
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55 | sample_wave_ws = '__sam_wave' |
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56 | ConvertUnits(InputWorkspace=self._sample_ws_name, OutputWorkspace=sample_wave_ws, |
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57 | Target='Wavelength', EMode='Indirect', EFixed=efixed) |
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58 | |
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59 | sample_thickness = self._sample_outer_radius - self._sample_inner_radius |
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60 | logger.information('Sample thickness: ' + str(sample_thickness)) |
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61 | |
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62 | AnnularRingAbsorption(InputWorkspace=sample_wave_ws, |
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63 | OutputWorkspace=self._ass_ws, |
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64 | SampleHeight=3.0, |
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65 | SampleThickness=sample_thickness, |
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66 | CanInnerRadius=self._can_inner_radius, |
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67 | CanOuterRadius=self._can_outer_radius, |
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68 | SampleChemicalFormula=self._sample_chemical_formula, |
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69 | SampleNumberDensity=self._sample_number_density, |
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70 | NumberOfWavelengthPoints=10, |
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71 | EventsPerPoint=self._events) |
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72 | |
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73 | plot_data = [self._output_ws, self._sample_ws_name] |
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74 | plot_corr = [self._ass_ws] |
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75 | group = self._ass_ws |
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76 | |
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77 | if self._can_ws_name is not None: |
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78 | can1_wave_ws = '__can1_wave' |
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79 | can2_wave_ws = '__can2_wave' |
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80 | ConvertUnits(InputWorkspace=self._can_ws_name, OutputWorkspace=can1_wave_ws, |
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81 | Target='Wavelength', EMode='Indirect', EFixed=efixed) |
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82 | if self._can_scale != 1.0: |
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83 | logger.information('Scaling can by: ' + str(self._can_scale)) |
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84 | Scale(InputWorkspace=can1_wave_ws, OutputWorkspace=can1_wave_ws, Factor=self._can_scale, Operation='Multiply') |
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85 | CloneWorkspace(InputWorkspace=can1_wave_ws, OutputWorkspace=can2_wave_ws) |
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86 | |
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87 | can_thickness1 = self._sample_inner_radius - self._can_inner_radius |
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88 | can_thickness2 = self._can_outer_radius - self._sample_outer_radius |
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89 | logger.information('Can thickness: ' + str(can_thickness1) + ' & ' + str(can_thickness2)) |
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90 | |
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91 | if self._use_can_corrections: |
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92 | Divide(LHSWorkspace=sample_wave_ws, RHSWorkspace=self._ass_ws, OutputWorkspace=sample_wave_ws) |
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93 | |
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94 | SetSampleMaterial(can1_wave_ws, ChemicalFormula=self._can_chemical_formula, SampleNumberDensity=self._can_number_density) |
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95 | AnnularRingAbsorption(InputWorkspace=can1_wave_ws, |
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96 | OutputWorkspace='__Acc1', |
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97 | SampleHeight=3.0, |
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98 | SampleThickness=can_thickness1, |
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99 | CanInnerRadius=self._can_inner_radius, |
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100 | CanOuterRadius=self._sample_outer_radius, |
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101 | SampleChemicalFormula=self._can_chemical_formula, |
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102 | SampleNumberDensity=self._can_number_density, |
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103 | NumberOfWavelengthPoints=10, |
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104 | EventsPerPoint=self._events) |
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105 | SetSampleMaterial(can2_wave_ws, ChemicalFormula=self._can_chemical_formula, SampleNumberDensity=self._can_number_density) |
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106 | AnnularRingAbsorption(InputWorkspace=can2_wave_ws, |
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107 | OutputWorkspace='__Acc2', |
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108 | SampleHeight=3.0, |
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109 | SampleThickness=can_thickness2, |
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110 | CanInnerRadius=self._sample_inner_radius, |
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111 | CanOuterRadius=self._can_outer_radius, |
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112 | SampleChemicalFormula=self._can_chemical_formula, |
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113 | SampleNumberDensity=self._can_number_density, |
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114 | NumberOfWavelengthPoints=10, |
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115 | EventsPerPoint=self._events) |
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116 | Multiply(LHSWorkspace='__Acc1', RHSWorkspace='__Acc2', OutputWorkspace=self._acc_ws) |
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117 | Divide(LHSWorkspace=can1_wave_ws, RHSWorkspace=self._acc_ws, OutputWorkspace=can1_wave_ws) |
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118 | Minus(LHSWorkspace=sample_wave_ws, RHSWorkspace=can1_wave_ws, OutputWorkspace=sample_wave_ws) |
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119 | plot_corr.append(self._acc_ws) |
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120 | group += ',' + self._acc_ws |
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121 | |
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122 | else: |
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123 | Minus(LHSWorkspace=sample_wave_ws, RHSWorkspace=can1_wave_ws, OutputWorkspace=sample_wave_ws) |
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124 | Divide(LHSWorkspace=sample_wave_ws, RHSWorkspace=self._ass_ws, OutputWorkspace=sample_wave_ws) |
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125 | |
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126 | DeleteWorkspace(can1_wave_ws) |
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127 | DeleteWorkspace(can2_wave_ws) |
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128 | plot_data.append(self._can_ws_name) |
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129 | |
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130 | else: |
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131 | Divide(LHSWorkspace=sample_wave_ws, RHSWorkspace=self._ass_ws, OutputWorkspace=sample_wave_ws) |
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132 | |
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133 | ConvertUnits(InputWorkspace=sample_wave_ws, OutputWorkspace=self._output_ws, Target='DeltaE', |
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134 | EMode='Indirect', EFixed=efixed) |
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135 | DeleteWorkspace(sample_wave_ws) |
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136 | |
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137 | sample_logs = {'sample_shape': 'annulus', |
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138 | 'sample_filename': self._sample_ws_name, |
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139 | 'sample_inner': self._sample_inner_radius, |
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140 | 'sample_outer': self._sample_outer_radius, |
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141 | 'can_inner': self._can_inner_radius, |
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142 | 'can_outer': self._can_outer_radius} |
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143 | addSampleLogs(self._ass_ws, sample_logs) |
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144 | addSampleLogs(self._output_ws, sample_logs) |
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145 | |
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146 | if self._can_ws_name is not None: |
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147 | AddSampleLog(Workspace=self._output_ws, LogName='can_filename', LogType='String', LogText=str(self._can_ws_name)) |
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148 | AddSampleLog(Workspace=self._output_ws, LogName='can_scale', LogType='String', LogText=str(self._can_scale)) |
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149 | if self._use_can_corrections: |
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150 | addSampleLogs(self._acc_ws, sample_logs) |
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151 | AddSampleLog(Workspace=self._acc_ws, LogName='can_filename', LogType='String', LogText=str(self._can_ws_name)) |
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152 | AddSampleLog(Workspace=self._acc_ws, LogName='can_scale', LogType='String', LogText=str(self._can_scale)) |
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153 | AddSampleLog(Workspace=self._output_ws, LogName='can_thickness1', LogType='String', LogText=str(can_thickness1)) |
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154 | AddSampleLog(Workspace=self._output_ws, LogName='can_thickness2', LogType='String', LogText=str(can_thickness2)) |
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155 | |
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156 | self.setProperty('OutputWorkspace', self._output_ws) |
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157 | |
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158 | # Output the Ass workspace if it is wanted, delete if not |
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159 | if self._abs_ws == '': |
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160 | DeleteWorkspace(self._ass_ws) |
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161 | if self._can_ws_name is not None: |
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162 | if self._use_can_corrections: |
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163 | DeleteWorkspace(self._acc_ws) |
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164 | else: |
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165 | group_name = self._abs_ws + '_abs' |
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166 | GroupWorkspaces(InputWorkspaces=group, OutputWorkspace=group_name) |
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167 | self.setProperty('CorrectionsWorkspace', group_name) |
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168 | |
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169 | if self._plot: |
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170 | from IndirectImport import import_mantidplot |
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171 | mantid_plot = import_mantidplot() |
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172 | mantid_plot.plotSpectrum(plot_data, 0) |
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173 | mantid_plot.plotSpectrum(plot_corr, 0) |
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174 | |
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175 | |
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176 | def _setup(self): |
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177 | """ |
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178 | Get algorithm properties. |
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179 | """ |
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180 | |
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181 | self._sample_ws_name = self.getPropertyValue('SampleWorkspace') |
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182 | self._sample_chemical_formula = self.getPropertyValue('SampleChemicalFormula') |
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183 | self._sample_number_density = self.getProperty('SampleNumberDensity').value |
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184 | self._sample_inner_radius = self.getProperty('SampleInnerRadius').value |
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185 | self._sample_outer_radius = self.getProperty('SampleOuterRadius').value |
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186 | |
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187 | self._can_ws_name = self.getPropertyValue('CanWorkspace') |
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188 | if self._can_ws_name == '': |
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189 | self._can_ws_name = None |
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190 | self._use_can_corrections = self.getProperty('UseCanCorrections').value |
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191 | self._can_chemical_formula = self.getPropertyValue('CanChemicalFormula') |
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192 | self._can_number_density = self.getProperty('CanNumberDensity').value |
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193 | self._can_inner_radius = self.getProperty('CanInnerRadius').value |
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194 | self._can_outer_radius = self.getProperty('CanOuterRadius').value |
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195 | self._can_scale = self.getProperty('CanScaleFactor').value |
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196 | |
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197 | self._events = self.getProperty('Events').value |
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198 | self._plot = self.getProperty('Plot').value |
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199 | self._output_ws = self.getPropertyValue('OutputWorkspace') |
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200 | |
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201 | self._abs_ws = self.getPropertyValue('CorrectionsWorkspace') |
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202 | if self._abs_ws == '': |
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203 | self._ass_ws = '__ass' |
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204 | self._acc_ws = '__acc' |
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205 | else: |
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206 | self._ass_ws = self._abs_ws + '_ass' |
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207 | self._acc_ws = self._abs_ws + '_acc' |
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208 | |
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209 | # Register algorithm with Mantid |
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210 | AlgorithmFactory.subscribe(IndirectAnnulusAbsorption) |
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