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CopySample v1¶

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

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)