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CopySample v1

../_images/CopySample-v1_dlg.png

CopySample dialog.

Summary

Copy some/all the sample information from one workspace to another.

Properties

Name Direction Type Default Description
InputWorkspace Input Workspace Mandatory An input workspace from wich to copy sample information.
OutputWorkspace InOut Workspace Mandatory An output workspace to wich to copy sample information..
CopyName Input boolean True Copy the name of the sample
CopyMaterial Input boolean True Copy the material of the sample
CopyEnvironment Input boolean True Copy the sample environment
CopyShape Input boolean True Copy the sample shape
CopyLattice Input boolean True Copy the sample oriented lattice
CopyOrientationOnly Input boolean False Copy the U matrix only, if both origin and destination have oriented lattices
MDInputSampleNumber Input number 0 The number of the sample to be copied from, for an MD workspace (starting from 0)
MDOutputSampleNumber Input number Optional The number of the sample to be copied to for an MD workspace (starting from 0). No number, or negative number, means that it will copy to all samples

Description

The algorithm copies some/all the sample information from one workspace to another. For MD input workspaces, if no input sample number is specified, or not found, it will copy the first sample. For MD output workspaces, if no output sample number is specified (or negative), it will copy to all samples. The following information can be copied:

  • Name
  • Material
  • Sample environment
  • Shape
  • Oriented lattice

One can copy the orientation matrix only. To do this, select both CopyLattice and CopyOrientationOnly. If only CopyOrientationOnly is true, the algorithm will throw an error.

A common use for this algorithm is for single crystal measurements. Finding the UB matrix occurs on a PeaksWorkspace. In order to convertthe data to HKL space, one needs to copy the oriented lattice to the individual data workspaces.

Usage

#create some workspaces
peaks=CreateWorkspace(DataX='1,2',DataY='1',WorkspaceTitle='Workspace a')
SetUB(peaks,a=2,b=3,c=4,alpha=90,beta=90,gamma=90,u="1,0,0",v="0,0,1")
data=CreateWorkspace(DataX='1,2',DataY='1',WorkspaceTitle='Workspace b')
SetUB(data,a=1,b=1,c=1,alpha=90,beta=90,gamma=90,u="1,0,0",v="0,1,1")

#apply algorithm
CopySample(InputWorkspace=peaks,OutputWorkspace=data,CopyName=0,CopyMaterial=0,CopyEnvironment=0,CopyShape=0,CopyLattice=1)

#do a quick check
ol=data.sample().getOrientedLattice()
print("Data lattice parameters are: {} {} {} {} {} {}".format(
       ol.a(), ol.b(), ol.c(), ol.alpha(), ol.beta(), ol.gamma()))

Output:

Data lattice parameters are: 2.0 3.0 4.0 90.0 90.0 90.0

CopySample can be used to copy a sample shape, but apply a new automatic goniometer rotation. SetGoniometer should be called before CopySample. After running this example code, the sample shapes can be plotted (see 3D Mesh Plots for Sample Shapes):

cuboid = " \
<cuboid id='some-cuboid'> \
<height val='2.0'  /> \
<width val='2.0' />  \
<depth  val='0.2' />  \
<centre x='10.0' y='10.0' z='10.0'  />  \
</cuboid>  \
<algebra val='some-cuboid' /> \
"

ws = CreateSampleWorkspace()
SetGoniometer(ws, Axis0="0,0,1,0,1")
SetSample(ws, Geometry={'Shape': 'CSG', 'Value': cuboid})

ws1 = CreateSampleWorkspace()
SetGoniometer(ws1, Axis0="30,0,1,0,-1")
CopySample(ws,ws1,CopyEnvironment=False, CopyMaterial=False,CopyShape=True)

(Source code)

Categories: AlgorithmIndex | Sample | Utility\Workspaces

Source

C++ header: CopySample.h (last modified: 2021-08-03)

C++ source: CopySample.cpp (last modified: 2021-08-03)