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Merge pull request #20795 from mantidproject/20787IndirectCalcMonteCarloDocs 

Indirect - CalculateMonteCarloAbsorption - Documentation and Workflow Diagram
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docs/source/algorithms/CalculateMonteCarloAbsorption-v1.rst 0 → 100644
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.. algorithm::
.. summary::
.. alias::
.. properties::
Description
-----------
This algorithm calculates the absorption factors, required for the Paalman Pings method of absorption corrections, using a Monte Carlo procedure. Currently only the acc and ass factors are calculated.
CalculateMonteCarloAbsorption subsequently calls the :ref:`algm-SimpleShapeMonteCarloAbsorption` algorithm for the calculation of each absorption factor.
There are three existing Shape Options: *Flat Plate*, *Annulus* and *Cylinder*. Each shape is defined by a different set of geometric parameters.
Flat Plate parameters: *SampleThickness* and *SampleWidth* for the Sample, *ContainerFrontThickness* and *ContainerBackThickness* for the container.
Annulus parameters: *SampleInnerRadius* and *SampleOuterRadius* for the Sample, *ContainerInnerRadius* and *ContainerOuterRadius* for the container.
Cylinder parameters: *SampleRadius* for the sample, *ContainerInnerRadius* and *ContainerOuterRadius* for the container.
The location and orientation of the sample can be defined with *SampleCenter* and *SampleAngle*.
Workflow
--------
.. diagram:: CalculateMonteCarloAbsorption-v1_wkflw.dot
Usage
-----
**Example - CalculateMonteCarloAbsorption**
.. testcode:: QENSCalculateShapeMonteCarloAbsorption
sample_ws = CreateSampleWorkspace(Function="Quasielastic",
XUnit="Wavelength",
XMin=-0.5,
XMax=0.5,
BinWidth=0.01)
# Efixed is generally defined as part of the IDF for real data.
# Fake it here
inst_name = sample_ws.getInstrument().getName()
SetInstrumentParameter(sample_ws, ComponentName=inst_name,
ParameterName='Efixed', ParameterType='Number', Value='4.1')
container_ws = CreateSampleWorkspace(Function="Quasielastic",
XUnit="Wavelength",
XMin=-0.5,
XMax=0.5,
BinWidth=0.01)
SetInstrumentParameter(container_ws, ComponentName=inst_name,
ParameterName='Efixed', ParameterType='Number', Value='4.1')
corrections = CalculateMonteCarloAbsorption(SampleWorkspace = sample_ws,
SampleChemicalFormula = 'H2-O',
SampleDensityType = 'Mass Density',
SampleDensity = 1.0,
ContainerWorkspace = container_ws,
ContainerChemicalFormula = 'Al',
ContainerDensityType = 'Mass Density',
ContainerDensity = 1.0,
EventsPerPoint = 200,
BeamHeight = 3.5,
BeamWidth = 4.0,
Height = 2.0,
Shape = 'FlatPlate',
SampleWidth = 1.4,
SampleThickness = 2.1,
ContainerFrontThickness = 1.2,
ContainerBackThickness = 1.1)
ass_ws = corrections[0]
acc_ws = corrections[1]
print("Workspaces: " + str(ass_ws.getName()) + ", " + str(acc_ws.getName()))
print("Y-Unit Label of " + str(ass_ws.getName()) + ": " + str(ass_ws.YUnitLabel()))
print("Y-Unit Label of " + str(acc_ws.getName()) + ": " + str(acc_ws.YUnitLabel()))
.. testcleanup:: QENSCalculateShapeMonteCarloAbsorption
DeleteWorkspace(sample_ws)
DeleteWorkspace(container_ws)
DeleteWorkspace(corrections)
**Output:**
.. testoutput:: QENSCalculateShapeMonteCarloAbsorption
Workspaces: corrections_ass, corrections_acc
Y-Unit Label of corrections_ass: Attenuation factor
Y-Unit Label of corrections_acc: Attenuation factor
.. categories::
.. sourcelink::
docs/source/diagrams/CalculateMonteCarloAbsorption-v1_wkflw.dot 0 → 100644
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− 0
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digraph CalculateMonteCarloAbsorption {
label="CalculateMonteCarloAbsorption Flowchart"
$global_style
subgraph params {
$param_style
SampleWorkspace
SampleChemicalFormula
SampleDensityType
SampleDensity
BeamHeight
BeamWidth
NumberOfWavelengthPoints
EventsPerPoint
Interpolation
ContainerWorkspace
ContainerChemicalFormula
ContainerDensityType
ContainerDensity
Shape
SampleWidth
SampleThickness
SampleCenter
SampleAngle
SampleRadius
SampleInnerRadius
SampleOuterRadius
ContainerFrontThickness
ContainerBackThickness
ContainerInnerRadius
ContainerOuterRadius
CorrectionsWorkspace
}
subgraph decisions {
$decision_style
Shape
is_x_in_wavelength [label="Is x-axis of workspace\nin units of wavelength?"]
is_y_in_wavelength [label="Is y-axis of workspace\nin units of wavelength?"]
is_x_in_energy_transfer [label="Is x-axis of workspace\nin units of energy transfer?"]
is_y_in_energy_transfer [label="Is x-axis of workspace\nin units of energy transfer?"]
emode_is_indirect [label="Is E-Mode of workspace, indirect?"]
is_x_in_momentum_transfer [label="Is x-axis of workspace\nin units of momentum transfer?"]
is_isis_instrument_1 [label="Is instrument in workspace\nan ISIS instrument?"]
is_isis_instrument_2 [label="Is instrument in workspace\nan ISIS instrument?"]
container_supplied [label="Container supplied?"]
shape_value_sample [label="Supplied Shape Value?"]
shape_value_container [label="Supplied Shape Value?"]
}
subgraph processes {
$process_style
update_instrument_angles [label="Update the instrument angles\nin a given workspace from\nQ-Values and wavelength"]
load_elastic_instrument_definition [label="Load the elastic instrument\ndefinition file into the\nworkspace using the\nLoadInstrument algorithm"]
set_efixed [label="Sets the EFixed parameter\nin the workspace using\nthe SetInstrumentParameter algorithm"]
calculate_wavelengths [label="Calculate wavelengths for\nthe workspace"]
calculate_offset_front [label="Calculate average of two\ninputs and take negative"]
calculate_offset_back [label="Average the two inputs"]
}
subgraph algorithms {
$algorithm_style
SimpleShapeMonteCarloAbsorption_sample [label="SimpleShapeMonteCarloAbsorption"]
SimpleShapeMonteCarloAbsorption_container [label="SimpleShapeMonteCarloAbsorption"]
SimpleShapeMonteCarloAbsorption_containerm1 [label="SimpleShapeMonteCarloAbsorption"]
SimpleShapeMonteCarloAbsorption_containerm2 [label="SimpleShapeMonteCarloAbsorption"]
CloneWorkspace_wave [label="CloneWorkspace"]
CloneWorkspace_indirect [label="CloneWorkspace"]
Transpose_wave [label="Transpose"]
Transpose_energy [label="Transpose"]
Transpose_indirect [label="Transpose"]
ConvertUnits_energy [label="ConvertUnits"]
ConvertUnits_direct [label="ConvertUnits"]
AddSampleLogMultiple
GroupWorkspaces
Multiply
CropWorkspace
ConvertToHistogram
}
subgraph values {
$value_style
Wavelength
FlatPlate_sample [label="Flat Plate"]
Annulus_sample [label="Annulus"]
Cylinder_sample [label="Cylinder"]
FlatPlate_container [label="Flat Plate"]
Annulus_container [label="Annulus"]
Cylinder_container [label="Cylinder"]
}
SampleWorkspace -> is_x_in_wavelength [label="Convert Sample\nto Wavelength"]
ContainerWorkspace -> is_x_in_wavelength [label="Convert Container\nto Wavelength"]
is_x_in_wavelength -> CloneWorkspace_wave [label="Yes"]
is_x_in_wavelength -> is_y_in_wavelength [label="No"]
is_y_in_wavelength -> Transpose_wave [label="Yes"]
is_y_in_wavelength -> is_x_in_energy_transfer [label="No"]
is_x_in_energy_transfer -> ConvertUnits_energy [label="Yes"]
is_x_in_energy_transfer -> is_y_in_energy_transfer [label="No"]
is_y_in_energy_transfer -> Transpose_energy [label="Yes"]
is_y_in_energy_transfer -> emode_is_indirect [label="No"]
emode_is_indirect -> is_x_in_momentum_transfer [label="Yes"]
emode_is_indirect -> ConvertUnits_direct [label="Yes"]
is_x_in_momentum_transfer -> Transpose_indirect [label="Yes"]
is_x_in_momentum_transfer -> CloneWorkspace_indirect [label="Yes"]
Wavelength -> ConvertUnits_energy
Wavelength -> ConvertUnits_direct
CloneWorkspace_indirect -> is_isis_instrument_1
Transpose_indirect -> is_isis_instrument_1
is_isis_instrument_1 -> load_elastic_instrument_definition [label="Yes"]
is_isis_instrument_1 -> set_efixed [label="No"]
load_elastic_instrument_definition -> set_efixed
set_efixed -> ConvertToHistogram
ConvertToHistogram -> CropWorkspace
CropWorkspace -> calculate_wavelengths
calculate_wavelengths -> is_isis_instrument_2
is_isis_instrument_2 -> update_instrument_angles [label="Yes"]
Transpose_energy -> ConvertUnits_energy
ConvertUnits_energy -> SimpleShapeMonteCarloAbsorption_sample
update_instrument_angles -> SimpleShapeMonteCarloAbsorption_sample
is_isis_instrument_2 -> SimpleShapeMonteCarloAbsorption_sample [label="No"]
CloneWorkspace_wave -> SimpleShapeMonteCarloAbsorption_sample
Transpose_wave -> SimpleShapeMonteCarloAbsorption_sample
ConvertUnits_direct -> SimpleShapeMonteCarloAbsorption_sample
BeamHeight -> SimpleShapeMonteCarloAbsorption_sample
BeamWidth -> SimpleShapeMonteCarloAbsorption_sample
NumberOfWavelengthPoints -> SimpleShapeMonteCarloAbsorption_sample
EventsPerPoint -> SimpleShapeMonteCarloAbsorption_sample
Interpolation -> SimpleShapeMonteCarloAbsorption_sample
SampleChemicalFormula -> SimpleShapeMonteCarloAbsorption_sample
SampleDensityType -> SimpleShapeMonteCarloAbsorption_sample
SampleDensity -> SimpleShapeMonteCarloAbsorption_sample
Height -> SimpleShapeMonteCarloAbsorption_sample
Shape -> SimpleShapeMonteCarloAbsorption_sample
FlatPlate_sample -> SimpleShapeMonteCarloAbsorption_sample
Annulus_sample -> SimpleShapeMonteCarloAbsorption_sample
Cylinder_sample -> SimpleShapeMonteCarloAbsorption_sample
shape_value_sample -> FlatPlate_sample [label="Flat Plate"]
shape_value_sample -> Annulus_sample [label="Annulus"]
shape_value_sample -> Cylinder_sample [label="Cylinder"]
SampleWidth -> FlatPlate_sample
SampleThickness -> FlatPlate_sample
SampleAngle -> FlatPlate_sample
SampleCenter -> FlatPlate_sample
SampleRadius -> Cylinder_sample
SampleInnerRadius -> Annulus_sample
SampleOuterRadius -> Annulus_sample
SimpleShapeMonteCarloAbsorption_sample -> AddSampleLogMultiple
AddSampleLogMultiple -> GroupWorkspaces
SimpleShapeMonteCarloAbsorption_sample -> container_supplied
BeamHeight -> SimpleShapeMonteCarloAbsorption_container
BeamWidth -> SimpleShapeMonteCarloAbsorption_container
NumberOfWavelengthPoints -> SimpleShapeMonteCarloAbsorption_container
EventsPerPoint -> SimpleShapeMonteCarloAbsorption_container
Interpolation -> SimpleShapeMonteCarloAbsorption_container
container_supplied -> SimpleShapeMonteCarloAbsorption_container [label="Yes"]
ContainerChemicalFormula -> SimpleShapeMonteCarloAbsorption_container
ContainerDensityType -> SimpleShapeMonteCarloAbsorption_container
ContainerDensity -> SimpleShapeMonteCarloAbsorption_container
Height -> SimpleShapeMonteCarloAbsorption_container
Shape -> SimpleShapeMonteCarloAbsorption_container
Annulus_container -> SimpleShapeMonteCarloAbsorption_container
Cylinder_container -> SimpleShapeMonteCarloAbsorption_container
shape_value_container -> FlatPlate_container [label="Flat Plate"]
shape_value_container -> Annulus_container [label="Annulus"]
shape_value_container -> Annulus_container [label="Cylinder"]
ContainerInnerRadius -> Annulus_container
ContainerOuterRadius -> Annulus_container
ContainerInnerRadius -> Cylinder_container
ContainerOuterRadius -> Cylinder_container
BeamHeight -> SimpleShapeMonteCarloAbsorption_containerm1
BeamWidth -> SimpleShapeMonteCarloAbsorption_containerm1
NumberOfWavelengthPoints -> SimpleShapeMonteCarloAbsorption_containerm1
EventsPerPoint -> SimpleShapeMonteCarloAbsorption_containerm1
Interpolation -> SimpleShapeMonteCarloAbsorption_containerm1
BeamHeight -> SimpleShapeMonteCarloAbsorption_containerm2
BeamWidth -> SimpleShapeMonteCarloAbsorption_containerm2
NumberOfWavelengthPoints -> SimpleShapeMonteCarloAbsorption_containerm2
EventsPerPoint -> SimpleShapeMonteCarloAbsorption_containerm2
Interpolation -> SimpleShapeMonteCarloAbsorption_containerm2
FlatPlate_container -> SimpleShapeMonteCarloAbsorption_containerm1
FlatPlate_container -> SimpleShapeMonteCarloAbsorption_containerm2
SampleWidth -> SimpleShapeMonteCarloAbsorption_containerm1
SampleAngle -> SimpleShapeMonteCarloAbsorption_containerm1
ContainerFrontThickness -> SimpleShapeMonteCarloAbsorption_containerm1
calculate_offset_front -> SimpleShapeMonteCarloAbsorption_containerm1
ContainerBackThickness -> SimpleShapeMonteCarloAbsorption_containerm2
calculate_offset_back -> SimpleShapeMonteCarloAbsorption_containerm2
SimpleShapeMonteCarloAbsorption_containerm1 -> Multiply
SimpleShapeMonteCarloAbsorption_containerm2 -> Multiply
Multiply -> GroupWorkspaces
GroupWorkspaces -> CorrectionsWorkspace
}
\ No newline at end of file
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