Saving ISIS SANS Reduced Workspaces Out to CanSAS Format Produces Non-Conform Files

[Peter Parker]

In #9710/#9721 I changed the YUnitLabel of the workspaces produced by the ISIS SANS reduction, but this has meant that the SaveCanSAS algorithm now produces files that do not conform to the format.

We are currently writing out:

<Idata>
  <Q unit="1/A">0.00824</Q>
  <I unit="I(q) (cm-1)">275.489</I>
  <Idev unit="I(q) (cm-1)">1.79077</Idev>
  <Qdev unit="1/A">0</Qdev>
</Idata>

We should be writing out:

<Idata>
  <Q unit="1/A">0.00824</Q>
  <I unit="1/cm">275.489</I>
  <Idev unit="1/cm">1.79077</Idev>
  <Qdev unit="1/A">0</Qdev>
</Idata>

For trans as well as data.

[Peter Parker]

Refs #9772 - "Band-aid" fix for writing out units in CanSAS format.

Changeset: 09c9676cebb3796e45d29b8d0e327fe8deaad780

[Peter Parker]

To test, add systemtests/Data/SANS2D/ to Mantid's managed directories and run the following script:

import os
from ISISCommandInterface import *

# Carry out a standard ISIS SANS reduction.
SANS2D()
MaskFile("MaskSANS2DReductionGUI.txt")
AssignSample('22048')
result = WavRangeReduction()

# Write out to file.
file_path = os.path.join(config["defaultsave.directory"], "cansas_test.xml")
SaveCanSAS1D(mtd[result], file_path)

# Make sure I and Idev have been written out with units of "1/cm".
with open(file_path, "r") as f:
    single_line = f.readlines()[11]
assert "<I unit=\"1/cm\">" in single_line
assert "<Idev unit=\"1/cm\">" in single_line

os.remove(file_path) 

This shows that for reduced workspaces the correct units are now being written out to file.

[Anders Markvardsen]

Merge remote-tracking branch 'origin/bugfix/9772_fix_cansas_units'

Full changeset: ​f81af0bc98fede421bdd9e0f6e678a1345c9d109

[Anders Markvardsen]

correct units now outputted

[Stuart Campbell]

This ticket has been transferred to github issue ​10614