From 5b37024eed50dac78e2421bf2e185c8146ee5085 Mon Sep 17 00:00:00 2001
From: Elliot Oram <Elliot.Oram@stfc.ac.uk>
Date: Tue, 13 Oct 2015 10:05:03 +0100
Subject: [PATCH] Update to QLRun to deal with odd naming convention in fortran
code
Refs #13826
---
docs/source/algorithms/QLRun-v1.rst | 38 +++++++++++++++++++++++++----
1 file changed, 33 insertions(+), 5 deletions(-)
diff --git a/docs/source/algorithms/QLRun-v1.rst b/docs/source/algorithms/QLRun-v1.rst
index 1d582bfe4aa..a1e15172aed 100644
--- a/docs/source/algorithms/QLRun-v1.rst
+++ b/docs/source/algorithms/QLRun-v1.rst
@@ -1,3 +1,4 @@
+
.. algorithm::
.. summary::
@@ -19,14 +20,41 @@ exp[-2\pi(\sigma k)\beta]. This, in the energy to time FT transformation, is \ps
Usage
-----
-**Example - a basic example using QLRun**
- sample = Load('irs26176_graphite002_red.nxs')
- resolution = Load('irs26173_graphite002_red.nxs')
+**Example - QLRun**
+
+.. testcode:: QLRunExample
+
+ # Load in test data
+ sampleWs = Load('irs26176_graphite002_red.nxs')
+ resWs = Load('irs26173_graphite002_red.nxs')
+
+ # Run QLRun algorithm
+ QLRun(Program="QL", SampleWorkspace=sampleWs, ResolutionWorkspace=resWs, MinRange=-0.547607, MaxRange=0.543216, SampleBins=1, ResolutionBins=1, Elastic=False, Background="Sloping", FixedWidth=False, UseResNorm=False, WidthFile="", Loop=True, Save=False, Plot="None")
+ outputName = 'samp_QLd_Workspace_0'
+
+ # capture first fitted workspace
+ result_ws = mtd[outputName]
+
+ # Print the result
+ print "The Y values of the first fitted workspace are:"
+ print "data : %.5f" %(result_ws.readY(0)[0])
+ print "fit.1 : %.5f" %(result_ws.readY(1)[0])
+ print "diff.1: %.5f" %(result_ws.readY(2)[0])
+ print "fit.2 : %.5f" %(result_ws.readY(3)[0])
+ print "diff.2: %.5f" %(result_ws.readY(4)[0])
+
+Output:
- QLRun(Program="QL", SampleWorkspace=sample, ResolutionWorkspace=resolution, MinRange=-0.547607, MaxRange=0.543216, SampleBins=1, ResolutionBins=1, Elastic=false, Background="Sloping", FixedWidth=false, UseResNorm=false, WidthFile="", Loop=true, Save=false, Plot="None")
+.. testoutput:: QLRunExample
+ :options: +NORMALIZE_WHITESPACE
-.. code-block:: python
+ The Y values of the first fitted workspace are:
+ data : 0.02540
+ fit.1 : 0.01906
+ diff.1: -0.00635
+ fit.2 : 0.01732
+ diff.2: -0.00808
.. categories::
--
GitLab