From b6b693a2792fa6c3feb5a57cb9a114c23796669c Mon Sep 17 00:00:00 2001
From: Harriet Brown <harriet.brown@stfc.ac.uk>
Date: Mon, 3 Feb 2020 16:31:03 +0000
Subject: [PATCH] Add function for fourier filter along with option for upper
boundary
THis commit adds a function for the fourier filter that allows for a lower boundary as well as an upper boundary.
re: #27773
---
.../polaris_routines/polaris_algs.py | 29 ++++++++++++-------
1 file changed, 19 insertions(+), 10 deletions(-)
diff --git a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
index c1dcb96c442..2db927de0a1 100644
--- a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
+++ b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
@@ -7,6 +7,7 @@
from __future__ import (absolute_import, division, print_function)
import numpy as np
+from mantid import AnalysisDataService as ADS
import mantid.simpleapi as mantid
from six import string_types
@@ -106,16 +107,10 @@ def generate_ts_pdf(run_number, focus_file_path, merge_banks=False, q_lims=None,
if merge_banks:
q_min, q_max = _load_qlims(q_lims)
- merged_ws = mantid.MatchAndMergeWorkspaces(InputWorkspaces=focused_ws, XMin=q_min, XMax=q_max,
- CalculateScale=False)
- # This is a simple fourier filter using the FFTSmooth to get a WS with only the low radius components, then
- # subtracting that from the merged WS
- merge_x = merged_ws.dataX(0)
- min_radius = 1.0
- cut_off_index = round(2*np.pi*min_radius/(2*(merge_x[1] - merge_x[0])))
- low_radius_ws = mantid.FFTSmooth(InputWorkspace=merged_ws, Filter="Zeroing", Params=str(cut_off_index))
- merged_ws = mantid.Minus(LHSWorkspace=merged_ws, RHSWorkspace=low_radius_ws)
- pdf_output = mantid.PDFFourierTransform(Inputworkspace=merged_ws, InputSofQType="S(Q)-1", PDFType=pdf_type,
+ mantid.MatchAndMergeWorkspaces(InputWorkspaces=focused_ws, OutputWorkspace="merged_ws", XMin=q_min, XMax=q_max,
+ CalculateScale=False)
+ fast_fourier_filter("merged_ws", 5.0, 15.0)
+ pdf_output = mantid.PDFFourierTransform(Inputworkspace="merged_ws", InputSofQType="S(Q)-1", PDFType=pdf_type,
Filter=True)
else:
pdf_output = mantid.PDFFourierTransform(Inputworkspace='focused_ws', InputSofQType="S(Q)-1",
@@ -192,3 +187,17 @@ def _determine_chopper_mode(ws):
return 'PDF', polaris_advanced_config.pdf_focused_cropping_values
else:
raise ValueError("Chopper frequency not in log data. Please specify a chopper mode")
+
+
+def fast_fourier_filter(input_ws, lower_boundary=None, upper_boundary=None):
+ # This is a simple fourier filter using the FFTSmooth to get a WS with only the low radius components, then
+ # subtracting that from the merged WS
+
+ x_range = ADS.retrieve(input_ws).dataX(0)
+ if lower_boundary:
+ lower_index = round(2 * np.pi / (lower_boundary * 2 * (x_range[1] - x_range[0])))
+ tmp = mantid.FFTSmooth(InputWorkspace=input_ws, Filter="Zeroing", Params=str(lower_index))
+ mantid.Minus(LHSWorkspace=input_ws, RHSWorkspace=tmp, OutputWorkspace=input_ws)
+ if upper_boundary:
+ upper_index = round(2 * np.pi / (upper_boundary * 2 * (x_range[1] - x_range[0])))
+ mantid.FFTSmooth(InputWorkspace=input_ws, OutputWorkspace=input_ws, Filter="Zeroing", Params=str(upper_index))
--
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