Table of Contents
Name | Direction | Type | Default | Description |
---|---|---|---|---|
InputWorkspace | InOut | MatrixWorkspace | Mandatory | A workspace whose sample properties will be updated |
Geometry | Input | Dictionary | A dictionary of geometry parameters for the sample. | |
Material | Input | Dictionary | A dictionary of material parameters for the sample. See SetSampleMaterial for all accepted parameters | |
Environment | Input | Dictionary | A dictionary of parameters to configure the sample environment |
Set properties of the sample & its environment on a workspace.
The 3 arguments to this algorithm Environment, Geometry & Material are all expected to be dictionaries specifying multiple parameters that relate to the respective argument.
Specifies the sample enviorment kit to be used. There are two required keywords:
See Sample Environment concept page for further details on how the creating a definition file.
The name of a kit is must be unique for a given instrument. The following procedure is used when trying to find a named definition, e.g CRYO-01:
Specifies the shape of the sample. This can be specified in 1 of 2 ways:
For defining the full shape a key called Shape specifying the desired shape is expected along with additional keys specifying the values (all values are assumed to be in centimeters):
The Center key is expected to be a list of three values indicating the [X,Y,Z] position of the center.
Specifies the composition of the sample using properties from the SetSampleMaterial v1 algorithm. Please see the algorithm documentation for the supported keywords.
The following example uses a test file called CRYO-01.xml in the [INSTALLDIR]/instrument/sampleenvironments/TEST_LIVE/ISIS_Histogram/ directory.
Example - Container with preset cylinderical sample geometry
# A fake host workspace, replace this with your real one.
ws = CreateSampleWorkspace()
# Use geometry as is from environment defintion
SetSample(ws, Environment={'Name': 'CRYO-01', 'Container': '8mm'},
Material={'ChemicalFormula': '(Li7)2-C-H4-N-Cl6'})
Example - Override height of preset cylinder sample
# A fake host workspace, replace this with your real one.
ws = CreateSampleWorkspace()
# Use geometry from environment but set differnet height for sample
SetSample(ws, Environment={'Name': 'CRYO-01', 'Container': '8mm'},
Geometry={'Height': 4.0},
Material={'ChemicalFormula': '(Li7)2-C-H4-N-Cl6'})
Example - Override complete sample geometry
# A fake host workspace, replace this with your real one.
ws = CreateSampleWorkspace()
# Use geometry from environment but set differnet height for sample
SetSample(ws, Environment={'Name': 'CRYO-01', 'Container': '8mm'},
Geometry={'Shape': 'HollowCylinder', 'Height': 4.0,
'InnerRadius': 0.8, 'OuterRadius': 1.0,
'Center': [0.,0.,0.], 'Axis':1},
Material={'ChemicalFormula': '(Li7)2-C-H4-N-Cl6'})
Categories: Algorithms | Sample