From cfd80e8f7a040fa979f2a8d8fd0ec4babf06fcaf Mon Sep 17 00:00:00 2001
From: Antti Soininen <soininen@ill.fr>
Date: Wed, 16 Jan 2019 17:06:06 +0100
Subject: [PATCH] directtools: update sphinx documentation. Re #22202
---
.../techniques/DirecttoolsPythonModule.rst | 38 +++++++++++++++++--
1 file changed, 34 insertions(+), 4 deletions(-)
diff --git a/docs/source/techniques/DirecttoolsPythonModule.rst b/docs/source/techniques/DirecttoolsPythonModule.rst
index c31c3f77c1c..08bb3c4ad81 100644
--- a/docs/source/techniques/DirecttoolsPythonModule.rst
+++ b/docs/source/techniques/DirecttoolsPythonModule.rst
@@ -13,6 +13,11 @@ The input workspaces are expected to have some specific sample logs, namely ``in
Examples
########
+Examples of some key functionality of :mod:`directtools` is presented below. For a full reference of all available function and classes, see the Reference_ section below.
+
+`plotSofQW`
+~~~~~~~~~~~
+
The default parameters for :func:`directtools.plotSofQW` give a view of the :math:`S(Q,E)` workspace around the elastic peak with sensible limits for the axes and intensity:
.. plot::
@@ -45,6 +50,9 @@ The :math:`Q`, :math:`E` and intensity limits can be changed using the optional
fig, axes = dt.plotSofQW('SofQW', QMax=QMax, EMin=EMin, VMax=VMax)
#fig.show()
+Cuts in :math:`S(Q,E)`
+~~~~~~~~~~~~~~~~~~~~~~
+
An important aspect of examining the :math:`S(Q,E)` workspace is to plot cuts at constant :math:`Q` and :math:`E`. This can be done by :func:`directtools.plotconstQ` and :func:`directtools.plotconstE`:
.. plot::
@@ -108,6 +116,27 @@ If a line profile already exists, it can be plotted using :func:`directtools.plo
axes.legend()
#fig.show()
+Plotting density of states
+~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+The density of states data calculated by :ref:`ComputeIncoherentDOS <algm-ComputeIncoherentDOS>` can be plotted by the :func:`directtools.plotDOS` function. The function accepts a single workspace or a list of workspaces as its arguments. The example below shows a comparison of densities of states calculated from :math:`S(Q,E)` and :math:`S(2\theta,E)`:
+
+.. plot::
+ :include-source:
+
+ import directtools as dt
+ from mantid.simpleapi import *
+
+ DirectILLCollectData(Run='ILL/IN4/084447.nxs', OutputWorkspace='data')
+ DirectILLReduction(InputWorkspace='data', OutputWorkspace='SofQW', OutputSofThetaEnergyWorkspace='SofTW')
+ dosFromStw = ComputeIncoherentDOS('SofTW')
+ dosFromSqw = ComputeIncoherentDOS('SofQW')
+ fig, axes = dt.plotDOS([dosFromStw, dosFromSqw], labels=[r'from $S(2\theta, E)$', r'from $S(Q,E)$'])
+ #fig.show()
+
+Convenience tools
+~~~~~~~~~~~~~~~~~
+
:class:`directtools.SampleLogs` is a convenience class to import the sample logs of a workspace into a 'struct' like object in Python:
.. testcode:: SampleLogsEx
@@ -135,19 +164,20 @@ Output:
84447
Reference
-=========
+#########
Classes
-#######
+~~~~~~~
.. autoclass:: directtools.SampleLogs
:members: __init__
Functions
-#########
+~~~~~~~~~
.. automodule:: directtools
:members: box2D, defaultrcParams, dynamicsusceptibility, nanminmax, plotconstE,
- plotconstQ, plotcuts, plotprofiles, plotSofQW, subplots, validQ, wsreport
+ plotconstQ, plotcuts, plotprofiles, plotDOS, plotSofQW, subplots, validQ,
+ wsreport
.. categories:: Techniques
--
GitLab