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ClearUB v1

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Summary

Clears the UB by removing the oriented lattice from the sample.

See Also

SetUB, HasUB

Properties

Name	Direction	Type	Default	Description
Workspace	InOut	Workspace	Mandatory	Workspace to clear the UB from.
DoesClear	Output	boolean		Indicates action performed. DoesClear returns true only if one or more OrientedLattices have been removed.

Description

Clears the OrientedLattice of each ExperimentInfo attached to the intput Workspace. Works with both single ExperimentInfos and MultipleExperimentInfo instances.

Usage

# create a workspace (or you can load one)
ws=CreateSingleValuedWorkspace(5)

#set a UB matrix using the vector along k_i as 1,1,0, and the 0,0,1 vector in the horizontal plane
SetUB(ws,a=5,b=6,c=7,alpha=90, beta=90, gamma=90, u="1,1,0", v="0,0,1")

#check that we do have a UB matrix
from numpy import *
mat=array(ws.sample().getOrientedLattice().getUB())
print("UB matrix size {}".format(mat.size ))

ClearUB(ws)

#check that it removed UB matrix & orientated lattice
if( ws.sample().hasOrientedLattice() ):
     print("ClearUB has not removed the orientated lattice.")
else:
     print("ClearUB has removed the oriented lattice.")

Output:

UB matrix size 9
ClearUB has removed the oriented lattice.

Categories: AlgorithmIndex | Crystal\UBMatrix

Source

C++ header: ClearUB.h

C++ source: ClearUB.cpp