SaveBankScatteringAngles v1

../_images/SaveBankScatteringAngles-v1_dlg.png

SaveBankScatteringAngles dialog.

Summary

Save scattering angles two-theta and phi for each workspace in a GroupWorkspace of focused banks

Properties

Name Direction Type Default Description
InputWorkspace Input WorkspaceGroup Mandatory A GroupWorkspace where every sub-workspace is a single-spectra focused run corresponding to a particular bank
Filename Input string Mandatory The name of the file to save to. Allowed extensions: [‘.txt’, ‘.new’]

Description

Takes a WorkspaceGroup whose children are single-spectra workspaces corresponding to focused banks, and saves their scattering angles two-theta and phi (sometimes called eta) to a 4-column format readable by MAUD.

The columns are, in order, Bank number, Group number, two-theta, and phi. An example file looks something like this:

bank :    1  group:     4    9.12160000026    0.0
bank :    2  group:     5    8.15584000023    30.0000000009
bank :    3  group:     6    8.03516799229    150.000000004
bank :    4  group:     7    9.0611418429    180.000000005
... (and so on)

Usage

import os

# Banks 1 to 4 of a previous texture focus in isis_powder
# We don't use the full 160 banks as the test becomes too slow
input_group = Load("GEM61785_D_texture_banks_1_to_4.nxs")

output_file = os.path.join(config["defaultsave.directory"], "grouping.new")
SaveBankScatteringAngles(InputWorkspace=input_group, Filename=output_file)

with open(output_file) as f:
    contents = f.read().rstrip().split("\n")

print("File contents:")
for line in contents:
    print(line)

Output:

File contents:
bank :    0  group:     4    9.1216000000    0.0000000000
bank :    1  group:     5    8.1558400000    30.0000000000
bank :    2  group:     6    8.0351679921    150.0000000000
bank :    3  group:     7    9.0611418426    180.0000000000

Categories: AlgorithmIndex | DataHandling\Text | Diffraction\DataHandling