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SetSampleMaterial v1¶
Summary¶
Sets the neutrons information in the sample.
See Also¶
SetSample, AbsorptionCorrection, CreateSampleShape, CalculateSampleTransmission
Properties¶
Name 
Direction 
Type 
Default 
Description 

InputWorkspace 
InOut 
Mandatory 
The workspace with which to associate the sample 

ChemicalFormula 
Input 
string 
The chemical formula, see examples in documentation 

AtomicNumber 
Input 
number 
0 
The atomic number 
MassNumber 
Input 
number 
0 
Mass number if ion (use 0 for default mass number) 
SampleNumberDensity 
Input 
number 
Optional 
This number density of the sample in number of atoms or formula units per cubic Angstrom will be used instead of calculated 
SampleEffectiveNumberDensity 
Input 
number 
Optional 
Defines the effective number density of the sample, which is related to the number density and packing fraction. 
SamplePackingFraction 
Input 
number 
Optional 
Defines the packing fraction of the sample which can be used to calculate the number density and the effective number density 
ZParameter 
Input 
number 
Optional 
Number of formula units in unit cell 
UnitCellVolume 
Input 
number 
Optional 
Unit cell volume in Angstoms^3. Will be calculated from the OrientedLattice if not supplied. 
CoherentXSection 
Input 
number 
Optional 
This coherent crosssection for the sample material in barns will be used instead of tabulated 
IncoherentXSection 
Input 
number 
Optional 
This incoherent crosssection for the sample material in barns will be used instead of tabulated 
AttenuationXSection 
Input 
number 
Optional 
This absorption crosssection for the sample material in barns will be used instead of tabulated 
ScatteringXSection 
Input 
number 
Optional 
Optional: This total scattering crosssection (coherent + incoherent) for the sample material in barns will be used instead of tabulated 
AttenuationProfile 
Input 
string 
The path name of the file containing the attenuation profile. Allowed extensions: [‘.dat’] 

XRayAttenuationProfile 
Input 
string 
The path name of the file containing the Xray attenuation profile. Allowed extensions: [‘.dat’] 

SampleMassDensity 
Input 
number 
Optional 
Measured mass density in g/cubic cm of the sample to be used to calculate the effective number density. 
SampleMass 
Input 
number 
Optional 
Measured mass in g of the sample. This is used with the SampleVolume to calculate the number density. 
SampleVolume 
Input 
number 
Optional 
Measured volume in gm^3 of the sample. This is used with the SampleMass to calculate the number density. 
NumberDensityUnit 
Input 
string 
Atoms 
Choose which units SampleNumberDensity referes to. Allowed values: [‘Atoms’, ‘Formula Units’] 
Description¶
Sets the neutrons information in the sample. You can either enter details about the chemical formula or atomic number, or you can provide specific values for the attenuation and scattering cross sections and the sample number density. If you provide a chemical formula or atomic number, the cross sections will be calculated from a database. If you decide to provide specific cross sections, they will override the tabulated ones. For details of how the various quantities are calculated, refer to the Materials concept page.
Note
It is recommended that you use SetSample instead.
Categories: AlgorithmIndex  Sample
Source¶
C++ header: SetSampleMaterial.h
C++ source: SetSampleMaterial.cpp