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SaveBankScatteringAngles v1¶
Enable screenshots using DOCS_SCREENSHOTS in CMake¶
Summary¶
Save scattering angles two-theta and phi for each workspace in a GroupWorkspace of focused banks
See Also¶
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