From 62133f2d1bf3ffee0378be80a28bd436a0be7c58 Mon Sep 17 00:00:00 2001
From: Elliot Oram <elliot.oram@stfc.ac.uk>
Date: Tue, 5 Dec 2017 16:31:42 +0000
Subject: [PATCH] Add rebinning step to finest binning (bank 5)
Refs #21294
---
.../tests/analysis/ISIS_PowderPolarisTest.py | 18 +++++++++---------
.../polaris_routines/polaris_algs.py | 2 ++
2 files changed, 11 insertions(+), 9 deletions(-)
diff --git a/Testing/SystemTests/tests/analysis/ISIS_PowderPolarisTest.py b/Testing/SystemTests/tests/analysis/ISIS_PowderPolarisTest.py
index cd82879b08d..1e007cddf5e 100644
--- a/Testing/SystemTests/tests/analysis/ISIS_PowderPolarisTest.py
+++ b/Testing/SystemTests/tests/analysis/ISIS_PowderPolarisTest.py
@@ -106,16 +106,16 @@ class TotalScatteringTest(stresstesting.MantidStressTest):
def validate(self):
# Whilst total scattering is in development, the validation will avoid using reference files as they will have
- # to be updated very frequently. In the meantime, the expected peak in the PDF at ~4 Angstrom will be checked.
- # expected_peak_values = [bin_index, y_value] (each list item is a bank (1-5))
- expected_peak_values = [[7, 0.149],
- [11, 0.285],
- [23, 0.504],
- [37, 0.382],
- [52, 0.700]]
+ # to be updated very frequently. In the meantime, the expected peak in the PDF at ~3.9 Angstrom will be checked.
+ # After rebin this is at X index 51
+ mantid.SaveNexus(Filename='~\\total_scattering_output.nxs', InputWorkspace=self.pdf_output)
+ expected_peak_values = [0.0187231,
+ 0.0583586,
+ 0.2241280,
+ 0.2752230,
+ 1.0252800]
for index, ws in enumerate(self.pdf_output):
- self.assertAlmostEqual(ws.dataY(0)[expected_peak_values[index][0]], expected_peak_values[index][1],
- places=3)
+ self.assertAlmostEqual(ws.dataY(0)[51], expected_peak_values[index], places=3)
def run_total_scattering(run_number, merge_banks):
diff --git a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
index c45e9d3d8d3..b14cc6c2295 100644
--- a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
+++ b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
@@ -83,6 +83,8 @@ def generate_ts_pdf(run_number, focus_file_path, merge_banks=False):
raise RuntimeError("Merging banks is currently not supported")
pdf_output = mantid.PDFFourierTransform(Inputworkspace=pdf_output, InputSofQType="S(Q)", PDFType="G(r)",
Filter=True)
+ pdf_output = mantid.RebinToWorkspace(WorkspaceToRebin=pdf_output, WorkspaceToMatch=pdf_output[4],
+ PreserveEvents=True)
return pdf_output
--
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