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LoadIsawUB v1

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Summary

Load an ISAW-style ASCII UB matrix and lattice parameters file, and place its information into a workspace.

See Also

SaveIsawUB

Properties

Name	Direction	Type	Default	Description
InputWorkspace	InOut	Workspace	Mandatory	An input workspace to which to add the lattice information.
Filename	Input	string	Mandatory	Path to an ISAW-style UB matrix text file. Allowed extensions: [‘.mat’, ‘.ub’, ‘.txt’]
CheckUMatrix	Input	boolean	True	If True (default) then a check is performed to ensure the U matrix is a proper rotation matrix

Description

Loads the UB matrix into a workspace from an ISAW-style UB matrix ASCII file.

You can use the SaveIsawUB v1 algorithm to save to this format.

The matrix in the file is the transpose of the UB matrix. The UB matrix maps the column vector (h,k,l ) to the column vector (q’x,q’y,q’z). |Q’|=1/dspacing and its coordinates are a right-hand coordinate system where x is the beam direction and z is vertically upward. (IPNS convention)

Note: for an MDEventWorkspace, all experimentInfo objects will contain the oriented lattice loaded from the IsawUB file

Usage

#Write a ISAW UB file
import mantid
filename=mantid.config.getString("defaultsave.directory")+"loadIsawUBTest.mat"
f=open(filename,'w')
f.write("0.0  0.5  0.0  \n")
f.write("0.0  0.0  0.25  \n")
f.write("0.2  0.0  0.0  \n")
f.write("2.0  4.0  5.0  90  90  90  40  \n")
f.write("0.0  0.0  0.0   0   0   0   0  \n")
f.write("\n\nsome text about IPNS convention")
f.close()


w=CreateSingleValuedWorkspace()
LoadIsawUB(w,filename)

#check the results
ol=w.sample().getOrientedLattice()
print("a= {}".format(ol.a()))
print("b= {}".format(ol.b()))
print("c= {}".format(ol.c()))
print("alpha= {}".format(ol.alpha()))
print("beta= {}".format(ol.beta()))
print("gamma= {}".format(ol.gamma() ))
print("The following vectors are in the horizontal plane:  {} {}".format(ol.getuVector(), ol.getvVector()))

Output:

a= 2.0
b= 4.0
c= 5.0
alpha= 90.0
beta= 90.0
gamma= 90.0
The following vectors are in the horizontal plane:  [0,0,5] [2,0,0]

Categories: AlgorithmIndex | Crystal\DataHandling | DataHandling\Isaw | Crystal\UBMatrix

Source

C++ header: LoadIsawUB.h

C++ source: LoadIsawUB.cpp