diff --git a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectCylinderAbsorption.py b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectCylinderAbsorption.py
index 80b91f1fefe58618aa2d039f03b91712fd1391d0..6581e6327b269cfe20317bc80094fb178da62ac5 100644
--- a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectCylinderAbsorption.py
+++ b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectCylinderAbsorption.py
@@ -5,6 +5,24 @@ from mantid.kernel import StringMandatoryValidator, Direction, logger, FloatBoun
class IndirectCylinderAbsorption(DataProcessorAlgorithm):
+ _sample_ws_name = None
+ _sample_chemical_formula = None
+ _sample_number_density = None
+ _sample_radius = None
+ _can_ws_name = None
+ _use_can_corrections = None
+ _can_chemical_formula = None
+ _can_number_density = None
+ _can_radius = None
+ _can_scale = None
+ _events = None
+ _plot = None
+ _output_ws = None
+ _abs_ws = None
+ _ass_ws = None
+ _acc_ws = None
+
+
def category(self):
return "Workflow\\Inelastic;PythonAlgorithms;CorrectionFunctions\\AbsorptionCorrections;Workflow\\MIDAS"
diff --git a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectFlatPlateAbsorption.py b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectFlatPlateAbsorption.py
index 0fb3e2c3fe040c9a804c0f2a61a128f5c6febf69..c8662f3760a31f8a90c06a321e692a60753088ce 100644
--- a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectFlatPlateAbsorption.py
+++ b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectFlatPlateAbsorption.py
@@ -1,10 +1,31 @@
from mantid.simpleapi import *
-from mantid.api import DataProcessorAlgorithm, AlgorithmFactory, MatrixWorkspaceProperty, PropertyMode, Progress
-from mantid.kernel import StringMandatoryValidator, Direction, logger
+from mantid.api import DataProcessorAlgorithm, AlgorithmFactory, MatrixWorkspaceProperty, PropertyMode, Progress, WorkspaceGroupProperty
+from mantid.kernel import StringMandatoryValidator, Direction, logger, FloatBoundedValidator
class IndirectFlatPlateAbsorption(DataProcessorAlgorithm):
+ _sample_ws = None
+ _sample_chemical_formula = None
+ _sample_number_density = None
+ _sample_height = None
+ _sample_width = None
+ _sample_thickness = None
+ _can_ws_name = None
+ _use_can_corrections = None
+ _can_chemical_formula = None
+ _can_number_density = None
+ _can_front_thickness = None
+ _can_back_thickness = None
+ _can_scale = None
+ _element_size = None
+ _plot = None
+ _output_ws = None
+ _abs_ws = None
+ _ass_ws = None
+ _acc_ws = None
+
+
def category(self):
return "Workflow\\Inelastic;PythonAlgorithms;CorrectionFunctions\\AbsorptionCorrections;Workflow\\MIDAS"
@@ -14,31 +35,61 @@ class IndirectFlatPlateAbsorption(DataProcessorAlgorithm):
def PyInit(self):
+ # Sample
self.declareProperty(MatrixWorkspaceProperty('SampleWorkspace', '', direction=Direction.Input),
- doc='Sample workspace.')
-
+ doc='Sample workspace')
+ self.declareProperty(name='SampleChemicalFormula', defaultValue='',
+ validator=StringMandatoryValidator(),
+ doc='Chemical formula for the sample')
+ self.declareProperty(name='SampleNumberDensity', defaultValue=0.1,
+ validator=FloatBoundedValidator(0.0),
+ doc='Sample number density')
+ self.declareProperty(name='SampleHeight', defaultValue=1.0,
+ validator=FloatBoundedValidator(0.0),
+ doc='Sample height')
+ self.declareProperty(name='SampleWidth', defaultValue=1.0,
+ validator=FloatBoundedValidator(0.0),
+ doc='Sample width')
+ self.declareProperty(name='SampleThickness', defaultValue=0.5,
+ validator=FloatBoundedValidator(0.0),
+ doc='Sample thickness')
+
+ # Container
self.declareProperty(MatrixWorkspaceProperty('CanWorkspace', '', optional=PropertyMode.Optional,
direction=Direction.Input),
- doc='Container workspace.')
-
- self.declareProperty(name='CanScaleFactor', defaultValue=1.0, doc='Scale factor to multiply can data')
-
- self.declareProperty(name='ChemicalFormula', defaultValue='', validator=StringMandatoryValidator(),
- doc='Chemical formula')
-
- self.declareProperty(name='SampleHeight', defaultValue=1.0, doc='Sample height')
- self.declareProperty(name='SampleWidth', defaultValue=1.0, doc='Sample width')
- self.declareProperty(name='SampleThickness', defaultValue=0.1, doc='Sample thickness')
- self.declareProperty(name='ElementSize', defaultValue=0.1, doc='Element size in mm')
- self.declareProperty(name='SampleNumberDensity', defaultValue=0.1, doc='Sample number density')
- self.declareProperty(name='Plot', defaultValue=False, doc='Plot options')
-
+ doc='Container workspace')
+ self.declareProperty(name='UseCanCorrections', defaultValue=False,
+ doc='Use can corrections in subtraction')
+ self.declareProperty(name='CanChemicalFormula', defaultValue='',
+ doc='Chemical formula for the Container')
+ self.declareProperty(name='CanNumberDensity', defaultValue=0.1,
+ validator=FloatBoundedValidator(0.0),
+ doc='Container number density')
+ self.declareProperty(name='CanFrontThickness', defaultValue=0.1,
+ validator=FloatBoundedValidator(0.0),
+ doc='Can front thickness')
+ self.declareProperty(name='CanBackThickness', defaultValue=0.1,
+ validator=FloatBoundedValidator(0.0),
+ doc='Can back thickness')
+ self.declareProperty(name='CanScaleFactor', defaultValue=1.0,
+ validator=FloatBoundedValidator(0.0),
+ doc='Scale factor to multiply can data')
+
+ # General
+ self.declareProperty(name='ElementSize', defaultValue=0.1,
+ validator=FloatBoundedValidator(0.0),
+ doc='Element size in mm')
+ self.declareProperty(name='Plot', defaultValue=False,
+ doc='Plot options')
+
+ # Output
self.declareProperty(MatrixWorkspaceProperty('OutputWorkspace', '', direction=Direction.Output),
- doc='The output corrected workspace.')
+ doc='The output corrected workspace')
+
+ self.declareProperty(WorkspaceGroupProperty('CorrectionsWorkspace', '', direction=Direction.Output,
+ optional=PropertyMode.Optional),
+ doc='The workspace group to save correction factors')
- self.declareProperty(MatrixWorkspaceProperty('CorrectionsWorkspace', '', direction=Direction.Output,
- optional=PropertyMode.Optional),
- doc='The corrections workspace for scattering and absorptions in sample.')
def PyExec(self):
from IndirectCommon import getEfixed, addSampleLogs
@@ -46,84 +97,114 @@ class IndirectFlatPlateAbsorption(DataProcessorAlgorithm):
self._setup()
# Set up progress reporting
- n_prog_reports = 4
- if self._can_ws is not None:
- n_prog_reports += 2
- prog_reporter = Progress(self, 0.0, 1.0, n_prog_reports)
+ n_prog_reports = 2
+ if self._can_ws_name is not None:
+ n_prog_reports += 1
+ prog = Progress(self, 0.0, 1.0, n_prog_reports)
- prog_reporter.report('Processing sample')
efixed = getEfixed(self._sample_ws)
sample_wave_ws = '__sam_wave'
ConvertUnits(InputWorkspace=self._sample_ws, OutputWorkspace=sample_wave_ws,
Target='Wavelength', EMode='Indirect', EFixed=efixed)
- SetSampleMaterial(sample_wave_ws, ChemicalFormula=self._chemical_formula, SampleNumberDensity=self._number_density)
+ SetSampleMaterial(sample_wave_ws, ChemicalFormula=self._sample_chemical_formula, SampleNumberDensity=self._sample_number_density)
- prog_reporter.report('Calculating sample corrections')
+ prog.report('Calculating sample corrections')
FlatPlateAbsorption(InputWorkspace=sample_wave_ws,
OutputWorkspace=self._ass_ws,
SampleHeight=self._sample_height,
SampleWidth=self._sample_width,
- SampleThickness=self._sample_thichness,
+ SampleThickness=self._sample_thickness,
ElementSize=self._element_size,
EMode='Indirect',
EFixed=efixed,
NumberOfWavelengthPoints=10)
- plot_list = [self._output_ws, self._sample_ws]
+ plot_data = [self._output_ws, self._sample_ws]
+ plot_corr = [self._ass_ws]
+ group = self._ass_ws
- if self._can_ws is not None:
- prog_reporter.report('Processing can')
+ if self._can_ws_name is not None:
can_wave_ws = '__can_wave'
- ConvertUnits(InputWorkspace=self._can_ws, OutputWorkspace=can_wave_ws,
+ ConvertUnits(InputWorkspace=self._can_ws_name, OutputWorkspace=can_wave_ws,
Target='Wavelength', EMode='Indirect', EFixed=efixed)
-
if self._can_scale != 1.0:
logger.information('Scaling can by: ' + str(self._can_scale))
Scale(InputWorkspace=can_wave_ws, OutputWorkspace=can_wave_ws, Factor=self._can_scale, Operation='Multiply')
- prog_reporter.report('Applying can corrections')
- Minus(LHSWorkspace=sample_wave_ws, RHSWorkspace=can_wave_ws, OutputWorkspace=sample_wave_ws)
+ if self._use_can_corrections:
+ prog.report('Calculating container corrections')
+ Divide(LHSWorkspace=sample_wave_ws, RHSWorkspace=self._ass_ws, OutputWorkspace=sample_wave_ws)
+
+ SetSampleMaterial(can_wave_ws, ChemicalFormula=self._can_chemical_formula, SampleNumberDensity=self._can_number_density)
+ FlatPlateAbsorption(InputWorkspace=can_wave_ws,
+ OutputWorkspace=self._acc_ws,
+ SampleHeight=self._sample_height,
+ SampleWidth=self._sample_width,
+ SampleThickness=self._can_front_thickness + self._can_back_thickness,
+ ElementSize=self._element_size,
+ EMode='Indirect',
+ EFixed=efixed,
+ NumberOfWavelengthPoints=10)
+
+ Divide(LHSWorkspace=can_wave_ws, RHSWorkspace=self._acc_ws, OutputWorkspace=can_wave_ws)
+ Minus(LHSWorkspace=sample_wave_ws, RHSWorkspace=can_wave_ws, OutputWorkspace=sample_wave_ws)
+ plot_corr.append(self._acc_ws)
+ group += ',' + self._acc_ws
+
+ else:
+ prog.report('Calculating container scaling')
+ Minus(LHSWorkspace=sample_wave_ws, RHSWorkspace=can_wave_ws, OutputWorkspace=sample_wave_ws)
+ Divide(LHSWorkspace=sample_wave_ws, RHSWorkspace=self._ass_ws, OutputWorkspace=sample_wave_ws)
+
DeleteWorkspace(can_wave_ws)
+ plot_data.append(self._can_ws_name)
- plot_list.append(self._can_ws)
+ else:
+ Divide(LHSWorkspace=sample_wave_ws, RHSWorkspace=self._ass_ws, OutputWorkspace=sample_wave_ws)
- prog_reporter.report('Applying corrections')
- Divide(LHSWorkspace=sample_wave_ws, RHSWorkspace=self._ass_ws, OutputWorkspace=sample_wave_ws)
ConvertUnits(InputWorkspace=sample_wave_ws, OutputWorkspace=self._output_ws,
Target='DeltaE', EMode='Indirect', EFixed=efixed)
DeleteWorkspace(sample_wave_ws)
- prog_reporter.report('Recording sample logs')
+ prog.report('Recording samle logs')
sample_logs = {'sample_shape': 'flatplate',
'sample_filename': self._sample_ws,
'sample_height': self._sample_height,
'sample_width': self._sample_width,
- 'sample_thickness': self._sample_thichness,
+ 'sample_thickness': self._sample_thickness,
'element_size': self._element_size}
addSampleLogs(self._ass_ws, sample_logs)
addSampleLogs(self._output_ws, sample_logs)
- if self._can_ws is not None:
- AddSampleLog(Workspace=self._ass_ws, LogName='can_filename', LogType='String', LogText=str(self._can_ws))
- AddSampleLog(Workspace=self._output_ws, LogName='can_filename', LogType='String', LogText=str(self._can_ws))
- AddSampleLog(Workspace=self._ass_ws, LogName='can_scale', LogType='String', LogText=str(self._can_scale))
+ if self._can_ws_name is not None:
+ AddSampleLog(Workspace=self._output_ws, LogName='can_filename', LogType='String', LogText=str(self._can_ws_name))
AddSampleLog(Workspace=self._output_ws, LogName='can_scale', LogType='String', LogText=str(self._can_scale))
+ if self._use_can_corrections:
+ addSampleLogs(self._acc_ws, sample_logs)
+ AddSampleLog(Workspace=self._acc_ws, LogName='can_filename', LogType='String', LogText=str(self._can_ws_name))
+ AddSampleLog(Workspace=self._acc_ws, LogName='can_scale', LogType='String', LogText=str(self._can_scale))
+ AddSampleLog(Workspace=self._output_ws, LogName='can_thickness1', LogType='String', LogText=str(self._can_front_thickness))
+ AddSampleLog(Workspace=self._output_ws, LogName='can_thickness2', LogType='String', LogText=str(self._can_back_thickness))
self.setProperty('OutputWorkspace', self._output_ws)
# Output the Ass workspace if it is wanted, delete if not
- if self._ass_ws == '_ass':
+ if self._abs_ws == '':
DeleteWorkspace(self._ass_ws)
+ if self._can_ws_name is not None and self._use_can_corrections:
+ DeleteWorkspace(self._acc_ws)
else:
- self.setProperty('CorrectionsWorkspace', self._ass_ws)
+ GroupWorkspaces(InputWorkspaces=group, OutputWorkspace=self._abs_ws)
+ self.setProperty('CorrectionsWorkspace', self._abs_ws)
if self._plot:
- prog_reporter.report('Plotting')
from IndirectImport import import_mantidplot
mantid_plot = import_mantidplot()
- mantid_plot.plotSpectrum(plot_list, 0)
+ mantid_plot.plotSpectrum(plot_data, 0)
+ if self._abs_ws != '':
+ mantid_plot.plotSpectrum(plot_corr, 0)
def _setup(self):
@@ -132,23 +213,46 @@ class IndirectFlatPlateAbsorption(DataProcessorAlgorithm):
"""
self._sample_ws = self.getPropertyValue('SampleWorkspace')
- self._can_scale = self.getProperty('CanScaleFactor').value
- self._chemical_formula = self.getPropertyValue('ChemicalFormula')
- self._number_density = self.getProperty('SampleNumberDensity').value
+ self._sample_chemical_formula = self.getPropertyValue('SampleChemicalFormula')
+ self._sample_number_density = self.getProperty('SampleNumberDensity').value
self._sample_height = self.getProperty('SampleHeight').value
self._sample_width = self.getProperty('SampleWidth').value
- self._sample_thichness = self.getProperty('SampleThickness').value
+ self._sample_thickness = self.getProperty('SampleThickness').value
+
+ self._can_ws_name = self.getPropertyValue('CanWorkspace')
+ if self._can_ws_name == '':
+ self._can_ws_name = None
+ self._use_can_corrections = self.getProperty('UseCanCorrections').value
+ self._can_chemical_formula = self.getPropertyValue('CanChemicalFormula')
+ self._can_number_density = self.getProperty('CanNumberDensity').value
+ self._can_front_thickness = self.getProperty('CanFrontThickness').value
+ self._can_back_thickness = self.getProperty('CanBackThickness').value
+ self._can_scale = self.getProperty('CanScaleFactor').value
+
self._element_size = self.getProperty('ElementSize').value
self._plot = self.getProperty('Plot').value
self._output_ws = self.getPropertyValue('OutputWorkspace')
- self._ass_ws = self.getPropertyValue('CorrectionsWorkspace')
- if self._ass_ws == '':
+ self._abs_ws = self.getPropertyValue('CorrectionsWorkspace')
+ if self._abs_ws == '':
self._ass_ws = '__ass'
+ self._acc_ws = '__acc'
+ else:
+ self._ass_ws = self._abs_ws + '_ass'
+ self._acc_ws = self._abs_ws + '_acc'
+
+
+ def validateInputs(self):
+ """
+ Validate algorithm options.
+ """
+
+ self._setup()
+ issues = dict()
+
+ # TODO
- self._can_ws = self.getPropertyValue('CanWorkspace')
- if self._can_ws == '':
- self._can_ws = None
+ return issues
# Register algorithm with Mantid