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add some docs to G2obj.py
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58  <div class="section" id="module-testDeriv">
59<span id="gsas-ii-scripts"></span><h1><em>GSAS-II Scripts</em><a class="headerlink" href="#module-testDeriv" title="Permalink to this headline">¶</a></h1>
60<div class="section" id="testderiv-check-derivative-computation">
61<h2><em>testDeriv: Check derivative computation</em><a class="headerlink" href="#testderiv-check-derivative-computation" title="Permalink to this headline">¶</a></h2>
62<p>Use this to check derivatives used in structure least squares
63refinement against numerical values computed in this script.</p>
64<p>To use set <tt class="docutils literal"><span class="pre">DEBUG=True</span></tt> in GSASIIstrMain.py (line 22, as of version
651110); run the least squares - one cycle is sufficient.  Do the &#8220;Save
66Results&#8221;; this will write the file testDeriv.dat in the local
67directory.</p>
68<p>Then run this program to see plots of derivatives for all
69parameters refined in the last least squares.  Shown will be numerical
70derivatives generated over all observations (including penalty terms)
71and the corresponding analytical ones produced in the least
72squares. They should match.</p>
73<dl class="function">
74<dt id="testDeriv.main">
75<tt class="descclassname">testDeriv.</tt><tt class="descname">main</tt><big>(</big><big>)</big><a class="reference internal" href="_modules/testDeriv.html#main"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#testDeriv.main" title="Permalink to this definition">¶</a></dt>
76<dd><p>Starts main application to compute and plot derivatives</p>
77</dd></dl>
78
79</div>
80<span class="target" id="module-GSASIItestplot"></span><div class="section" id="gsasiitestplot-plotting-for-testderiv">
81<h2><em>GSASIItestplot: Plotting for testDeriv</em><a class="headerlink" href="#gsasiitestplot-plotting-for-testderiv" title="Permalink to this headline">¶</a></h2>
82<p>Plotting module used for script testDeriv.</p>
83<dl class="class">
84<dt id="GSASIItestplot.Plot">
85<em class="property">class </em><tt class="descclassname">GSASIItestplot.</tt><tt class="descname">Plot</tt><big>(</big><em>parent</em>, <em>id=-1</em>, <em>dpi=None</em>, <em>**kwargs</em><big>)</big><a class="reference internal" href="_modules/GSASIItestplot.html#Plot"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIItestplot.Plot" title="Permalink to this definition">¶</a></dt>
86<dd><p>Creates a plotting window</p>
87</dd></dl>
88
89<dl class="class">
90<dt id="GSASIItestplot.PlotNotebook">
91<em class="property">class </em><tt class="descclassname">GSASIItestplot.</tt><tt class="descname">PlotNotebook</tt><big>(</big><em>id=-1</em><big>)</big><a class="reference internal" href="_modules/GSASIItestplot.html#PlotNotebook"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIItestplot.PlotNotebook" title="Permalink to this definition">¶</a></dt>
92<dd><p>creates a Wx application and a plotting notebook</p>
93</dd></dl>
94
95</div>
96<span class="target" id="module-scanCCD"></span><div class="section" id="scanccd-reduce-data-from-scanning-ccd">
97<h2><em>scanCCD: reduce data from scanning CCD</em><a class="headerlink" href="#scanccd-reduce-data-from-scanning-ccd" title="Permalink to this headline">¶</a></h2>
98<p>Quickly prototyped routine for reduction of data from detector described in
99B.H. Toby, T.J. Madden, M.R. Suchomel, J.D. Baldwin, and R.B. Von Dreele,
100&#8220;A Scanning CCD Detector for Powder Diffraction Measurements&#8221;.
101Journal of Applied Crystallography. 46(4): p. 1058-63 (2013).</p>
102<dl class="function">
103<dt id="scanCCD.main">
104<tt class="descclassname">scanCCD.</tt><tt class="descname">main</tt><big>(</big><big>)</big><a class="reference internal" href="_modules/scanCCD.html#main"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#scanCCD.main" title="Permalink to this definition">¶</a></dt>
105<dd><p>starts main application to merge data from scanning CCD</p>
106</dd></dl>
107
108</div>
109<span class="target" id="module-makeMacApp"></span><div class="section" id="makemacapp-create-mac-applet">
110<h2><em>makeMacApp: Create Mac Applet</em><a class="headerlink" href="#makemacapp-create-mac-applet" title="Permalink to this headline">¶</a></h2>
111<p>This script creates an AppleScript app to launch GSAS-II. The app is
112created in the directory where the GSAS-II script is located.
113A softlink to Python is created, but is named GSAS-II, so that
114GSAS-II shows up as the name of the app rather than Python in the
115menu bar, etc. Note that this requires finding an app version of Python
116(expected name .../Resources/Python.app/Contents/MacOS/Python in
117directory tree of the calling python interpreter).</p>
118<p>Run this script with one optional argument, the path to the GSASII.py
119The script path may be specified relative to the current path or given
120an absolute path, but will be accessed via an absolute path.
121If no arguments are supplied, the GSASII.py script is assumed to be in the
122same directory as this file.</p>
123</div>
124<span class="target" id="module-unit_tests"></span><div class="section" id="unit-tests-self-test-module">
125<h2><em>unit_tests: Self-test Module</em><a class="headerlink" href="#unit-tests-self-test-module" title="Permalink to this headline">¶</a></h2>
126<p>A script that can be run to test a series of self-tests in GSAS-II. At present,
127only modules <tt class="docutils literal"><span class="pre">GSASIIspc</span></tt> and <tt class="docutils literal"><span class="pre">GSASIIlattice</span></tt> have self-tests.</p>
128<dl class="function">
129<dt id="unit_tests.test_GSASIIlattice">
130<tt class="descclassname">unit_tests.</tt><tt class="descname">test_GSASIIlattice</tt><big>(</big><big>)</big><a class="reference internal" href="_modules/unit_tests.html#test_GSASIIlattice"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#unit_tests.test_GSASIIlattice" title="Permalink to this definition">¶</a></dt>
131<dd><p>Test registered self-tests in <tt class="docutils literal"><span class="pre">GSASIIlattice</span></tt>.
132Takes no input and returns nothing. Throws an Exception if a test fails.</p>
133</dd></dl>
134
135<dl class="function">
136<dt id="unit_tests.test_GSASIIspc">
137<tt class="descclassname">unit_tests.</tt><tt class="descname">test_GSASIIspc</tt><big>(</big><big>)</big><a class="reference internal" href="_modules/unit_tests.html#test_GSASIIspc"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#unit_tests.test_GSASIIspc" title="Permalink to this definition">¶</a></dt>
138<dd><p>Test registered self-tests in <tt class="docutils literal"><span class="pre">GSASIIspc</span></tt>.
139Takes no input and returns nothing. Throws an Exception if a test fails.</p>
140</dd></dl>
141
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154  <h3><a href="index.html">Table Of Contents</a></h3>
155  <ul>
156<li><a class="reference internal" href="#"><em>GSAS-II Scripts</em></a><ul>
157<li><a class="reference internal" href="#testderiv-check-derivative-computation"><em>testDeriv: Check derivative computation</em></a></li>
158<li><a class="reference internal" href="#gsasiitestplot-plotting-for-testderiv"><em>GSASIItestplot: Plotting for testDeriv</em></a></li>
159<li><a class="reference internal" href="#scanccd-reduce-data-from-scanning-ccd"><em>scanCCD: reduce data from scanning CCD</em></a></li>
160<li><a class="reference internal" href="#makemacapp-create-mac-applet"><em>makeMacApp: Create Mac Applet</em></a></li>
161<li><a class="reference internal" href="#unit-tests-self-test-module"><em>unit_tests: Self-test Module</em></a></li>
162</ul>
163</li>
164</ul>
165
166  <h4>Previous topic</h4>
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169  <h4>Next topic</h4>
170  <p class="topless"><a href="exports.html"
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