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52  <div class="section" id="gsas-ii-import-modules">
53<h1><em>GSAS-II Import Modules</em><a class="headerlink" href="#gsas-ii-import-modules" title="Permalink to this headline">¶</a></h1>
54<p>Imports are implemented by deriving a class from
55<a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportPhase" title="GSASIIIO.ImportPhase"><tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportPhase</span></tt></a>, <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportStructFactor" title="GSASIIIO.ImportStructFactor"><tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportStructFactor</span></tt></a>
56or <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportPowderData" title="GSASIIIO.ImportPowderData"><tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportPowderData</span></tt></a> (which are in turn
57derived from <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass" title="GSASIIIO.ImportBaseclass"><tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportBaseclass</span></tt></a>)
58to implement import of
59a phase, a single crystal or a powder dataset, respectively.
60Module file names (<cite>G2phase_</cite>, <cite>G2pwd_</cite> and <cite>G2sfact_</cite>, etc.) are used to
61determine which menu an import routine should be placed into. (N.B. this
62was an unnecessary choice; this could be done from the class used.)</p>
63<p>This list may not include all currently defined formats, since modules
64may be loaded from anywhere in the path.</p>
65<div class="section" id="writing-an-import-routine">
66<h2>Writing an Import Routine<a class="headerlink" href="#writing-an-import-routine" title="Permalink to this headline">¶</a></h2>
67<p id="import-routines">When writing a import routine, one should create a new class derived
68from <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportPhase" title="GSASIIIO.ImportPhase"><tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportPhase</span></tt></a>, <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportStructFactor" title="GSASIIIO.ImportStructFactor"><tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportStructFactor</span></tt></a>
69or <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportPowderData" title="GSASIIIO.ImportPowderData"><tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportPowderData</span></tt></a>. As described below,
70all these classes will implement
71an <tt class="docutils literal"><span class="pre">__init__()</span></tt> and a <tt class="docutils literal"><span class="pre">Reader()</span></tt> method, and most will supply a
72<tt class="docutils literal"><span class="pre">ContentsValidator()</span></tt> method, too.
73See the <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportPhase" title="GSASIIIO.ImportPhase"><tt class="xref py py-class docutils literal"><span class="pre">ImportPhase</span></tt></a>, <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportStructFactor" title="GSASIIIO.ImportStructFactor"><tt class="xref py py-class docutils literal"><span class="pre">ImportStructFactor</span></tt></a>
74or <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportPowderData" title="GSASIIIO.ImportPowderData"><tt class="xref py py-class docutils literal"><span class="pre">ImportPowderData</span></tt></a> class documentation
75for details on what values each type of <tt class="docutils literal"><span class="pre">Reader()</span></tt> should set.</p>
76<div class="section" id="init">
77<h3>__init__()<a class="headerlink" href="#init" title="Permalink to this headline">¶</a></h3>
78<p>The class should supply a
79<tt class="docutils literal"><span class="pre">__init__</span></tt> method which calls the parent <tt class="docutils literal"><span class="pre">__init__</span></tt> method and
80specifies the following parameters:</p>
81<blockquote>
82<div><ul class="simple">
83<li><cite>extensionlist</cite>: a list of extensions that may be used for this type of file.</li>
84<li><cite>strictExtension</cite>: Should be True if only files with extensions in
85<cite>extensionlist</cite> are allows; False if all file types should be offered
86in the file browser. Also if False, the import class will be
87used on all files when &#8220;guess from format&#8221; is tried, though
88readers with matching extensions will be tried first.</li>
89<li><cite>formatName</cite>: a string to be used in the menu. Should be short.</li>
90<li><cite>longFormatName</cite>: a longer string to be used to describe the format in help.</li>
91</ul>
92</div></blockquote>
93</div>
94<div class="section" id="reader">
95<h3>Reader()<a class="headerlink" href="#reader" title="Permalink to this headline">¶</a></h3>
96<p>The class must supply a <tt class="docutils literal"><span class="pre">Reader</span></tt> method that actually performs the
97reading. All readers must have at a minimum these arguments:</p>
98<div class="highlight-python"><div class="highlight"><pre>def Reader(self, filename, filepointer, ParentFrame, **unused):
99</pre></div>
100</div>
101<p>where the arguments have the following uses:</p>
102<blockquote>
103<div><ul class="simple">
104<li><cite>filename</cite>: a string with the name of the file being read</li>
105<li><cite>filepointer</cite>: a file object (created by <tt class="xref py py-func docutils literal"><span class="pre">open()</span></tt>) that accesses
106the file and is points to the beginning of the file when Reader is
107called.</li>
108<li><cite>ParentFrame</cite>: a reference to the main GSAS-II (tree) windows, for
109the unusual <tt class="docutils literal"><span class="pre">Reader</span></tt> routines that will create GUI windows to ask
110questions.</li>
111</ul>
112</div></blockquote>
113<p>In addition, the following keyword parameters are defined that <tt class="docutils literal"><span class="pre">Reader</span></tt>
114routines may optionally use:</p>
115<blockquote>
116<div><ul class="simple">
117<li><cite>buffer</cite>: a dict that can be used to retain information between repeated calls of the routine</li>
118<li><cite>blocknum</cite>: counts the number of times that a reader is called</li>
119<li><cite>usedRanIdList</cite>: a list of previously used random Id values that can be checked to determine that a value is unique.</li>
120</ul>
121</div></blockquote>
122<p>As an example, the <cite>buffer</cite> dict is used for CIF reading to hold the parsed CIF file
123so that it can be reused without having to reread the file from
124scratch.</p>
125<div class="section" id="reader-return-values">
126<h4>Reader return values<a class="headerlink" href="#reader-return-values" title="Permalink to this headline">¶</a></h4>
127<p>The <tt class="docutils literal"><span class="pre">Reader</span></tt> routine should return the value of True if the file has been
128read successfully. Optionally, use <cite>self.warnings</cite> to indicate any
129problems.</p>
130<p>If the file cannot be read,  the <tt class="docutils literal"><span class="pre">Reader</span></tt> routine should
131return False or raise an <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass.ImportException" title="GSASIIIO.ImportBaseclass.ImportException"><tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportBaseclass.ImportException</span></tt></a>
132exception. (Why either? Sometimes an exception is the easiest way to
133bail out of a called routine.) Place text in <cite>self.errors</cite> and/or use:</p>
134<div class="highlight-python"><div class="highlight"><pre><span class="n">ImportException</span><span class="p">(</span><span class="s">&#39;Error message&#39;</span><span class="p">)</span>
135</pre></div>
136</div>
137<p>to give the user information on what went wrong during the reading.</p>
138</div>
139<div class="section" id="self-warnings">
140<h4>self.warnings<a class="headerlink" href="#self-warnings" title="Permalink to this headline">¶</a></h4>
141<p>Use <cite>self.warnings</cite> to indicate any information
142that should be displayed to the user if the file is read successfully,
143but perhaps not completely or additional settings will need to be
144made.</p>
145</div>
146<div class="section" id="self-errors">
147<h4>self.errors<a class="headerlink" href="#self-errors" title="Permalink to this headline">¶</a></h4>
148<p>Use <cite>self.errors</cite> to give the user information on where and why a read
149error occurs in the file. Note that text supplied with the <tt class="docutils literal"><span class="pre">raise</span></tt>
150statement will be appended to <tt class="docutils literal"><span class="pre">self.errors</span></tt>.</p>
151</div>
152<div class="section" id="self-repeat">
153<h4>self.repeat<a class="headerlink" href="#self-repeat" title="Permalink to this headline">¶</a></h4>
154<p>Set <cite>self.repeat</cite> to True (the default is False) if a Reader should be
155called again to read a second block from a file. Most commonly
156(only?) used for reading multiple powder histograms from a single
157file. Variable <cite>self.repeatcount</cite> is used to keep track of the block
158numbers.</p>
159</div>
160<div class="section" id="support-routines">
161<h4><em>support routines</em><a class="headerlink" href="#support-routines" title="Permalink to this headline">¶</a></h4>
162<p>Note that the base class (<a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass" title="GSASIIIO.ImportBaseclass"><tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportBaseclass</span></tt></a>) supplies two routines,
163<a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass.BlockSelector" title="GSASIIIO.ImportBaseclass.BlockSelector"><tt class="xref py py-meth docutils literal"><span class="pre">BlockSelector()</span></tt></a> and
164<a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass.MultipleBlockSelector" title="GSASIIIO.ImportBaseclass.MultipleBlockSelector"><tt class="xref py py-meth docutils literal"><span class="pre">MultipleBlockSelector()</span></tt></a> that are useful for
165selecting amongst one or more datasets (and perhaps phases) for
166<tt class="docutils literal"><span class="pre">Reader()</span></tt> routines that may encounter more than one set of information
167in a file.
168Likewise, when an operation will take some time to complete,
169use <tt class="xref py py-meth docutils literal"><span class="pre">ShowBusy()</span></tt> and
170<tt class="xref py py-meth docutils literal"><span class="pre">DoneBusy()</span></tt> to show the user
171that something is happening.</p>
172</div>
173</div>
174<div class="section" id="contentsvalidator">
175<h3>ContentsValidator()<a class="headerlink" href="#contentsvalidator" title="Permalink to this headline">¶</a></h3>
176<p>Defining a <tt class="docutils literal"><span class="pre">ContentsValidator</span></tt> method is optional, but is usually a
177good idea, particularly if the file extension is not a reliable
178identifier for the file type. The intent of this routine is to take a
179superficial look at the file to see if it has the expected
180characteristics of the expected file type. For example, are there
181numbers in the expected places?</p>
182<p>This routine is passed a single argument:</p>
183<ul class="simple">
184<li><cite>filepointer</cite>: a file object (created by <tt class="xref py py-func docutils literal"><span class="pre">open()</span></tt>) that accesses
185the file and is points to the beginning of the file when ContentsValidator is
186called.</li>
187</ul>
188<p>Note that <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass.CIFValidator" title="GSASIIIO.ImportBaseclass.CIFValidator"><tt class="xref py py-meth docutils literal"><span class="pre">GSASIIIO.ImportBaseclass.CIFValidator()</span></tt></a> is a ContentsValidator
189for validating CIF files.</p>
190</div>
191<div class="section" id="reinitialize">
192<h3>ReInitialize()<a class="headerlink" href="#reinitialize" title="Permalink to this headline">¶</a></h3>
193<p>Import classes are substantiated only once and are used as needed.
194This means that if something needs to be initialized before the
195<tt class="docutils literal"><span class="pre">Reader()</span></tt> will be called to read a new file, it must be coded. The
196<tt class="docutils literal"><span class="pre">ReInitialize()</span></tt> method is provided for this and it is always called
197before the <tt class="docutils literal"><span class="pre">ContentsValidator</span></tt> method is called. Use care to call
198the parent class <tt class="docutils literal"><span class="pre">ReInitialize()</span></tt> method, if this is overridden.</p>
199<div class="section" id="contentsvalidator-return-values">
200<h4>ContentsValidator return values<a class="headerlink" href="#contentsvalidator-return-values" title="Permalink to this headline">¶</a></h4>
201<p>The <tt class="docutils literal"><span class="pre">ContentsValidator</span></tt> routine should return the value of True if
202the file appears to match the type expected for the class.</p>
203<p>If the file cannot be read by this class,  the routine should
204return False. Preferably one will also place text in <cite>self.errors</cite>
205to give the user information on what went wrong during the reading.</p>
206</div>
207</div>
208</div>
209<div class="section" id="phase-import-routines">
210<h2>Phase Import Routines<a class="headerlink" href="#phase-import-routines" title="Permalink to this headline">¶</a></h2>
211<p>Phase import routines are classes derived from
212<a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportPhase" title="GSASIIIO.ImportPhase"><tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportPhase</span></tt></a>.
213They must be found in files named <cite>G2phase*.py</cite> that are in the Python path
214and the class must override the <tt class="docutils literal"><span class="pre">__init__</span></tt> method and add a <tt class="docutils literal"><span class="pre">Reader</span></tt> method.
215The distributed routines are:</p>
216<span class="target" id="module-G2phase"></span><div class="section" id="module-g2phase-pdb-exp-jana-m40-m50">
217<h3><em>Module G2phase: PDB, .EXP &amp; JANA m40,m50</em><a class="headerlink" href="#module-g2phase-pdb-exp-jana-m40-m50" title="Permalink to this headline">¶</a></h3>
218<p>A set of short routines to read in phases using routines that were
219previously implemented in GSAS-II: PDB, GSAS .EXP and JANA m40-m50 file formats</p>
220<dl class="class">
221<dt id="G2phase.EXP_ReaderClass">
222<em class="property">class </em><tt class="descclassname">G2phase.</tt><tt class="descname">EXP_ReaderClass</tt><a class="reference internal" href="_modules/G2phase.html#EXP_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase.EXP_ReaderClass" title="Permalink to this definition">¶</a></dt>
223<dd><p>Routine to import Phase information from GSAS .EXP files</p>
224<dl class="method">
225<dt id="G2phase.EXP_ReaderClass.ContentsValidator">
226<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2phase.html#EXP_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase.EXP_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
227<dd><p>Look for a VERSION tag in 1st line</p>
228</dd></dl>
229
230<dl class="method">
231<dt id="G2phase.EXP_ReaderClass.ReadEXPPhase">
232<tt class="descname">ReadEXPPhase</tt><big>(</big><em>G2frame</em>, <em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2phase.html#EXP_ReaderClass.ReadEXPPhase"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase.EXP_ReaderClass.ReadEXPPhase" title="Permalink to this definition">¶</a></dt>
233<dd><p>Read a phase from a GSAS .EXP file.</p>
234</dd></dl>
235
236<dl class="method">
237<dt id="G2phase.EXP_ReaderClass.Reader">
238<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**unused</em><big>)</big><a class="reference internal" href="_modules/G2phase.html#EXP_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase.EXP_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
239<dd><p>Read a phase from a GSAS .EXP file using <a class="reference internal" href="#G2phase.EXP_ReaderClass.ReadEXPPhase" title="G2phase.EXP_ReaderClass.ReadEXPPhase"><tt class="xref py py-meth docutils literal"><span class="pre">ReadEXPPhase()</span></tt></a></p>
240</dd></dl>
241
242</dd></dl>
243
244<dl class="class">
245<dt id="G2phase.JANA_ReaderClass">
246<em class="property">class </em><tt class="descclassname">G2phase.</tt><tt class="descname">JANA_ReaderClass</tt><a class="reference internal" href="_modules/G2phase.html#JANA_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase.JANA_ReaderClass" title="Permalink to this definition">¶</a></dt>
247<dd><p>Routine to import Phase information from a JANA2006 file</p>
248<dl class="method">
249<dt id="G2phase.JANA_ReaderClass.ContentsValidator">
250<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2phase.html#JANA_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase.JANA_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
251<dd><p>Taking a stab a validating a .m50 file
252(look for cell &amp; at least one atom)</p>
253</dd></dl>
254
255<dl class="method">
256<dt id="G2phase.JANA_ReaderClass.ReadJANAPhase">
257<tt class="descname">ReadJANAPhase</tt><big>(</big><em>filename</em>, <em>parent=None</em><big>)</big><a class="reference internal" href="_modules/G2phase.html#JANA_ReaderClass.ReadJANAPhase"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase.JANA_ReaderClass.ReadJANAPhase" title="Permalink to this definition">¶</a></dt>
258<dd><p>Read a phase from a JANA2006 m50 &amp; m40 files.</p>
259</dd></dl>
260
261<dl class="method">
262<dt id="G2phase.JANA_ReaderClass.Reader">
263<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**unused</em><big>)</big><a class="reference internal" href="_modules/G2phase.html#JANA_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase.JANA_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
264<dd><p>Read a m50 file using <a class="reference internal" href="#G2phase.JANA_ReaderClass.ReadJANAPhase" title="G2phase.JANA_ReaderClass.ReadJANAPhase"><tt class="xref py py-meth docutils literal"><span class="pre">ReadJANAPhase()</span></tt></a></p>
265</dd></dl>
266
267</dd></dl>
268
269<dl class="class">
270<dt id="G2phase.PDB_ReaderClass">
271<em class="property">class </em><tt class="descclassname">G2phase.</tt><tt class="descname">PDB_ReaderClass</tt><a class="reference internal" href="_modules/G2phase.html#PDB_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase.PDB_ReaderClass" title="Permalink to this definition">¶</a></dt>
272<dd><p>Routine to import Phase information from a PDB file</p>
273<dl class="method">
274<dt id="G2phase.PDB_ReaderClass.ContentsValidator">
275<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2phase.html#PDB_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase.PDB_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
276<dd><p>Taking a stab a validating a PDB file
277(look for cell &amp; at least one atom)</p>
278</dd></dl>
279
280<dl class="method">
281<dt id="G2phase.PDB_ReaderClass.ReadPDBPhase">
282<tt class="descname">ReadPDBPhase</tt><big>(</big><em>filename</em>, <em>parent=None</em><big>)</big><a class="reference internal" href="_modules/G2phase.html#PDB_ReaderClass.ReadPDBPhase"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase.PDB_ReaderClass.ReadPDBPhase" title="Permalink to this definition">¶</a></dt>
283<dd><p>Read a phase from a PDB file.</p>
284</dd></dl>
285
286<dl class="method">
287<dt id="G2phase.PDB_ReaderClass.Reader">
288<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**unused</em><big>)</big><a class="reference internal" href="_modules/G2phase.html#PDB_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase.PDB_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
289<dd><p>Read a PDF file using <a class="reference internal" href="#G2phase.PDB_ReaderClass.ReadPDBPhase" title="G2phase.PDB_ReaderClass.ReadPDBPhase"><tt class="xref py py-meth docutils literal"><span class="pre">ReadPDBPhase()</span></tt></a></p>
290</dd></dl>
291
292</dd></dl>
293
294</div>
295<span class="target" id="module-G2phase_GPX"></span><div class="section" id="module-g2phase-gpx-import-phase-from-gsas-ii-project">
296<h3><em>Module G2phase_GPX: Import phase from GSAS-II project</em><a class="headerlink" href="#module-g2phase-gpx-import-phase-from-gsas-ii-project" title="Permalink to this headline">¶</a></h3>
297<p>Copies a phase from another GSAS-II project file into the
298current project.</p>
299<dl class="class">
300<dt id="G2phase_GPX.PhaseReaderClass">
301<em class="property">class </em><tt class="descclassname">G2phase_GPX.</tt><tt class="descname">PhaseReaderClass</tt><a class="reference internal" href="_modules/G2phase_GPX.html#PhaseReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase_GPX.PhaseReaderClass" title="Permalink to this definition">¶</a></dt>
302<dd><p>Opens a .GPX file and pulls out a selected phase</p>
303<dl class="method">
304<dt id="G2phase_GPX.PhaseReaderClass.ContentsValidator">
305<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2phase_GPX.html#PhaseReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase_GPX.PhaseReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
306<dd><p>Test if the 1st section can be read as a cPickle block, if not it can&#8217;t be .GPX!</p>
307</dd></dl>
308
309<dl class="method">
310<dt id="G2phase_GPX.PhaseReaderClass.Reader">
311<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**unused</em><big>)</big><a class="reference internal" href="_modules/G2phase_GPX.html#PhaseReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase_GPX.PhaseReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
312<dd><p>Read a phase from a .GPX file. Does not (yet?) support selecting and reading
313more than one phase at a time.</p>
314</dd></dl>
315
316</dd></dl>
317
318</div>
319<span class="target" id="module-G2phase_CIF"></span><div class="section" id="module-g2phase-cif-coordinates-from-cif">
320<h3><em>Module G2phase_CIF: Coordinates from CIF</em><a class="headerlink" href="#module-g2phase-cif-coordinates-from-cif" title="Permalink to this headline">¶</a></h3>
321<p>Parses a CIF using  PyCifRW from James Hester and pulls out the
322structural information.</p>
323<p>If a CIF generated by ISODISTORT is encountered, extra information is
324added to the phase entry and constraints are generated.</p>
325<dl class="class">
326<dt id="G2phase_CIF.CIFPhaseReader">
327<em class="property">class </em><tt class="descclassname">G2phase_CIF.</tt><tt class="descname">CIFPhaseReader</tt><a class="reference internal" href="_modules/G2phase_CIF.html#CIFPhaseReader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase_CIF.CIFPhaseReader" title="Permalink to this definition">¶</a></dt>
328<dd><p>Implements a phase importer from a possibly multi-block CIF file</p>
329<dl class="method">
330<dt id="G2phase_CIF.CIFPhaseReader.ISODISTORT_proc">
331<tt class="descname">ISODISTORT_proc</tt><big>(</big><em>blk</em>, <em>atomlbllist</em>, <em>ranIdlookup</em><big>)</big><a class="reference internal" href="_modules/G2phase_CIF.html#CIFPhaseReader.ISODISTORT_proc"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2phase_CIF.CIFPhaseReader.ISODISTORT_proc" title="Permalink to this definition">¶</a></dt>
332<dd><p>Process ISODISTORT items to create constraints etc.</p>
333</dd></dl>
334
335</dd></dl>
336
337</div>
338</div>
339<div class="section" id="powder-data-import-routines">
340<h2>Powder Data Import Routines<a class="headerlink" href="#powder-data-import-routines" title="Permalink to this headline">¶</a></h2>
341<p>Powder data import routines are classes derived from
342<a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportPowderData" title="GSASIIIO.ImportPowderData"><tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportPowderData</span></tt></a>.
343They must be found in files named <cite>G2pwd*.py</cite> that are in the Python path
344and the class must override the <tt class="docutils literal"><span class="pre">__init__</span></tt> method and add a
345<tt class="docutils literal"><span class="pre">Reader</span></tt> method.</p>
346<p>The distributed routines are:</p>
347<span class="target" id="module-G2pwd_GPX"></span><div class="section" id="module-g2pwd-gpx-gsas-ii-projects">
348<h3><em>Module G2pwd_GPX: GSAS-II projects</em><a class="headerlink" href="#module-g2pwd-gpx-gsas-ii-projects" title="Permalink to this headline">¶</a></h3>
349<p>Routine to import powder data from GSAS-II .gpx files</p>
350<dl class="class">
351<dt id="G2pwd_GPX.GSAS2_ReaderClass">
352<em class="property">class </em><tt class="descclassname">G2pwd_GPX.</tt><tt class="descname">GSAS2_ReaderClass</tt><a class="reference internal" href="_modules/G2pwd_GPX.html#GSAS2_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_GPX.GSAS2_ReaderClass" title="Permalink to this definition">¶</a></dt>
353<dd><p>Routines to import powder data from a GSAS-II file
354This should work to pull data out from a out of date .GPX file
355as long as the details of the histogram data itself don&#8217;t change</p>
356<dl class="method">
357<dt id="G2pwd_GPX.GSAS2_ReaderClass.ContentsValidator">
358<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2pwd_GPX.html#GSAS2_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_GPX.GSAS2_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
359<dd><p>Test if the 1st section can be read as a cPickle block, if not it can&#8217;t be .GPX!</p>
360</dd></dl>
361
362<dl class="method">
363<dt id="G2pwd_GPX.GSAS2_ReaderClass.Reader">
364<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**kwarg</em><big>)</big><a class="reference internal" href="_modules/G2pwd_GPX.html#GSAS2_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_GPX.GSAS2_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
365<dd><p>Read a dataset from a .GPX file.
366If multiple datasets are requested, use self.repeat and buffer caching.</p>
367</dd></dl>
368
369</dd></dl>
370
371</div>
372<span class="target" id="module-G2pwd_fxye"></span><div class="section" id="module-g2pwd-fxye-gsas-data-files">
373<h3><em>Module G2pwd_fxye: GSAS data files</em><a class="headerlink" href="#module-g2pwd-fxye-gsas-data-files" title="Permalink to this headline">¶</a></h3>
374<p>Routine to read in powder data in a variety of formats
375that are defined for GSAS.</p>
376<dl class="class">
377<dt id="G2pwd_fxye.GSAS_ReaderClass">
378<em class="property">class </em><tt class="descclassname">G2pwd_fxye.</tt><tt class="descname">GSAS_ReaderClass</tt><a class="reference internal" href="_modules/G2pwd_fxye.html#GSAS_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_fxye.GSAS_ReaderClass" title="Permalink to this definition">¶</a></dt>
379<dd><p>Routines to import powder data from a GSAS files</p>
380<dl class="method">
381<dt id="G2pwd_fxye.GSAS_ReaderClass.ContentsValidator">
382<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2pwd_fxye.html#GSAS_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_fxye.GSAS_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
383<dd><p>Validate by checking to see if the file has BANK lines</p>
384</dd></dl>
385
386<dl class="method">
387<dt id="G2pwd_fxye.GSAS_ReaderClass.Reader">
388<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**kwarg</em><big>)</big><a class="reference internal" href="_modules/G2pwd_fxye.html#GSAS_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_fxye.GSAS_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
389<dd><p>Read a GSAS (old formats) file of type FXY, FXYE, ESD or STD types.
390If multiple datasets are requested, use self.repeat and buffer caching.</p>
391</dd></dl>
392
393</dd></dl>
394
395<dl class="function">
396<dt id="G2pwd_fxye.sfloat">
397<tt class="descclassname">G2pwd_fxye.</tt><tt class="descname">sfloat</tt><big>(</big><em>S</em><big>)</big><a class="reference internal" href="_modules/G2pwd_fxye.html#sfloat"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_fxye.sfloat" title="Permalink to this definition">¶</a></dt>
398<dd><p>convert a string to a float, treating an all-blank string as zero</p>
399</dd></dl>
400
401<dl class="function">
402<dt id="G2pwd_fxye.sint">
403<tt class="descclassname">G2pwd_fxye.</tt><tt class="descname">sint</tt><big>(</big><em>S</em><big>)</big><a class="reference internal" href="_modules/G2pwd_fxye.html#sint"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_fxye.sint" title="Permalink to this definition">¶</a></dt>
404<dd><p>convert a string to an integer, treating an all-blank string as zero</p>
405</dd></dl>
406
407</div>
408<span class="target" id="module-G2pwd_xye"></span><div class="section" id="module-g2pwd-xye-topas-xye-data">
409<h3><em>Module G2pwd_xye: Topas .xye data</em><a class="headerlink" href="#module-g2pwd-xye-topas-xye-data" title="Permalink to this headline">¶</a></h3>
410<p>Routine to read in powder data from a Topas-compatible .xye file</p>
411<dl class="class">
412<dt id="G2pwd_xye.xye_ReaderClass">
413<em class="property">class </em><tt class="descclassname">G2pwd_xye.</tt><tt class="descname">xye_ReaderClass</tt><a class="reference internal" href="_modules/G2pwd_xye.html#xye_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_xye.xye_ReaderClass" title="Permalink to this definition">¶</a></dt>
414<dd><p>Routines to import powder data from a .xye file</p>
415<dl class="method">
416<dt id="G2pwd_xye.xye_ReaderClass.ContentsValidator">
417<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2pwd_xye.html#xye_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_xye.xye_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
418<dd><p>Look through the file for expected types of lines in a valid Topas file</p>
419</dd></dl>
420
421<dl class="method">
422<dt id="G2pwd_xye.xye_ReaderClass.Reader">
423<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**unused</em><big>)</big><a class="reference internal" href="_modules/G2pwd_xye.html#xye_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_xye.xye_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
424<dd><p>Read a Topas file</p>
425</dd></dl>
426
427</dd></dl>
428
429</div>
430<span class="target" id="module-G2pwd_CIF"></span><div class="section" id="module-g2pwd-cif-cif-powder-data">
431<h3><em>Module G2pwd_CIF: CIF powder data</em><a class="headerlink" href="#module-g2pwd-cif-cif-powder-data" title="Permalink to this headline">¶</a></h3>
432<p>Routine to read in powder data from a CIF.</p>
433<dl class="class">
434<dt id="G2pwd_CIF.CIFpwdReader">
435<em class="property">class </em><tt class="descclassname">G2pwd_CIF.</tt><tt class="descname">CIFpwdReader</tt><a class="reference internal" href="_modules/G2pwd_CIF.html#CIFpwdReader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_CIF.CIFpwdReader" title="Permalink to this definition">¶</a></dt>
436<dd><p>Routines to import powder data from a CIF file</p>
437<dl class="method">
438<dt id="G2pwd_CIF.CIFpwdReader.ContentsValidator">
439<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2pwd_CIF.html#CIFpwdReader.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_CIF.CIFpwdReader.ContentsValidator" title="Permalink to this definition">¶</a></dt>
440<dd><p>Use standard CIF validator</p>
441</dd></dl>
442
443<dl class="method">
444<dt id="G2pwd_CIF.CIFpwdReader.Reader">
445<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**kwarg</em><big>)</big><a class="reference internal" href="_modules/G2pwd_CIF.html#CIFpwdReader.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2pwd_CIF.CIFpwdReader.Reader" title="Permalink to this definition">¶</a></dt>
446<dd><p>Read powder data from a CIF.
447If multiple datasets are requested, use self.repeat and buffer caching.</p>
448</dd></dl>
449
450</dd></dl>
451
452</div>
453</div>
454<div class="section" id="single-crystal-data-import-routines">
455<h2>Single Crystal Data Import Routines<a class="headerlink" href="#single-crystal-data-import-routines" title="Permalink to this headline">¶</a></h2>
456<p>Single crystal data import routines are classes derived from
457, <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportStructFactor" title="GSASIIIO.ImportStructFactor"><tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportStructFactor</span></tt></a>.
458They must be found in files named <cite>G2sfact*.py</cite> that are in the Python path
459and the class must override the <tt class="docutils literal"><span class="pre">__init__</span></tt> method and add a <tt class="docutils literal"><span class="pre">Reader</span></tt> method.
460The distributed routines are:</p>
461<span class="target" id="module-G2sfact"></span><div class="section" id="module-g2sfact-simple-hkl-import">
462<h3><em>Module G2sfact: simple HKL import</em><a class="headerlink" href="#module-g2sfact-simple-hkl-import" title="Permalink to this headline">¶</a></h3>
463<p>Read structure factors from a simple hkl file. Two routines are
464provided to read from files containing F or F<sup>2</sup> values.</p>
465<dl class="function">
466<dt id="G2sfact.ColumnValidator">
467<tt class="descclassname">G2sfact.</tt><tt class="descname">ColumnValidator</tt><big>(</big><em>parent</em>, <em>filepointer</em>, <em>nCol=5</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#ColumnValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.ColumnValidator" title="Permalink to this definition">¶</a></dt>
468<dd><p>Validate a file to check that it contains columns of numbers</p>
469</dd></dl>
470
471<dl class="class">
472<dt id="G2sfact.HKLF_ReaderClass">
473<em class="property">class </em><tt class="descclassname">G2sfact.</tt><tt class="descname">HKLF_ReaderClass</tt><a class="reference internal" href="_modules/G2sfact.html#HKLF_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.HKLF_ReaderClass" title="Permalink to this definition">¶</a></dt>
474<dd><p>Routines to import F, sig(F) reflections from a HKLF file</p>
475<dl class="method">
476<dt id="G2sfact.HKLF_ReaderClass.ContentsValidator">
477<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#HKLF_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.HKLF_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
478<dd><p>Make sure file contains the expected columns on numbers</p>
479</dd></dl>
480
481<dl class="method">
482<dt id="G2sfact.HKLF_ReaderClass.Reader">
483<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**unused</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#HKLF_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.HKLF_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
484<dd><p>Read the file</p>
485</dd></dl>
486
487</dd></dl>
488
489<dl class="class">
490<dt id="G2sfact.ISIS_SXD_INT_ReaderClass">
491<em class="property">class </em><tt class="descclassname">G2sfact.</tt><tt class="descname">ISIS_SXD_INT_ReaderClass</tt><a class="reference internal" href="_modules/G2sfact.html#ISIS_SXD_INT_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.ISIS_SXD_INT_ReaderClass" title="Permalink to this definition">¶</a></dt>
492<dd><p>Routines to import neutron TOF F**2, sig(F**2) reflections from a ISIS int file</p>
493<dl class="method">
494<dt id="G2sfact.ISIS_SXD_INT_ReaderClass.ContentsValidator">
495<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#ISIS_SXD_INT_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.ISIS_SXD_INT_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
496<dd><p>Make sure file contains the expected columns on numbers &amp; count number of data blocks - &#8220;Banks&#8221;</p>
497</dd></dl>
498
499<dl class="method">
500<dt id="G2sfact.ISIS_SXD_INT_ReaderClass.Reader">
501<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**unused</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#ISIS_SXD_INT_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.ISIS_SXD_INT_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
502<dd><p>Read the file</p>
503</dd></dl>
504
505</dd></dl>
506
507<dl class="class">
508<dt id="G2sfact.M90_ReaderClass">
509<em class="property">class </em><tt class="descclassname">G2sfact.</tt><tt class="descname">M90_ReaderClass</tt><a class="reference internal" href="_modules/G2sfact.html#M90_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.M90_ReaderClass" title="Permalink to this definition">¶</a></dt>
510<dd><p>Routines to import F**2, sig(F**2) reflections from a JANA M90 file</p>
511<dl class="method">
512<dt id="G2sfact.M90_ReaderClass.ContentsValidator">
513<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#M90_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.M90_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
514<dd><p>Discover how many columns are in the m90 file - could be 9-12 depending on satellites</p>
515</dd></dl>
516
517<dl class="method">
518<dt id="G2sfact.M90_ReaderClass.Reader">
519<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**unused</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#M90_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.M90_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
520<dd><p>Read the file</p>
521</dd></dl>
522
523</dd></dl>
524
525<dl class="class">
526<dt id="G2sfact.NT_HKLF2_ReaderClass">
527<em class="property">class </em><tt class="descclassname">G2sfact.</tt><tt class="descname">NT_HKLF2_ReaderClass</tt><a class="reference internal" href="_modules/G2sfact.html#NT_HKLF2_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.NT_HKLF2_ReaderClass" title="Permalink to this definition">¶</a></dt>
528<dd><p>Routines to import neutron TOF F**2, sig(F**2) reflections from a HKLF file</p>
529<dl class="method">
530<dt id="G2sfact.NT_HKLF2_ReaderClass.ContentsValidator">
531<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#NT_HKLF2_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.NT_HKLF2_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
532<dd><p>Make sure file contains the expected columns on numbers &amp; count number of data blocks - &#8220;Banks&#8221;</p>
533</dd></dl>
534
535<dl class="method">
536<dt id="G2sfact.NT_HKLF2_ReaderClass.Reader">
537<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**unused</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#NT_HKLF2_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.NT_HKLF2_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
538<dd><p>Read the file</p>
539</dd></dl>
540
541</dd></dl>
542
543<dl class="class">
544<dt id="G2sfact.NT_JANA2K_ReaderClass">
545<em class="property">class </em><tt class="descclassname">G2sfact.</tt><tt class="descname">NT_JANA2K_ReaderClass</tt><a class="reference internal" href="_modules/G2sfact.html#NT_JANA2K_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.NT_JANA2K_ReaderClass" title="Permalink to this definition">¶</a></dt>
546<dd><p>Routines to import neutron TOF F**2, sig(F**2) reflections from a JANA2000 file</p>
547<dl class="method">
548<dt id="G2sfact.NT_JANA2K_ReaderClass.ContentsValidator">
549<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#NT_JANA2K_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.NT_JANA2K_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
550<dd><p>Make sure file contains the expected columns on numbers &amp; count number of data blocks - &#8220;Banks&#8221;</p>
551</dd></dl>
552
553<dl class="method">
554<dt id="G2sfact.NT_JANA2K_ReaderClass.Reader">
555<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**unused</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#NT_JANA2K_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.NT_JANA2K_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
556<dd><p>Read the file</p>
557</dd></dl>
558
559</dd></dl>
560
561<dl class="class">
562<dt id="G2sfact.SHELX4_ReaderClass">
563<em class="property">class </em><tt class="descclassname">G2sfact.</tt><tt class="descname">SHELX4_ReaderClass</tt><a class="reference internal" href="_modules/G2sfact.html#SHELX4_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.SHELX4_ReaderClass" title="Permalink to this definition">¶</a></dt>
564<dd><p>Routines to import F**2, sig(F**2) reflections from a Shelx HKLF 4 file</p>
565<dl class="method">
566<dt id="G2sfact.SHELX4_ReaderClass.ContentsValidator">
567<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#SHELX4_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.SHELX4_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
568<dd><p>Make sure file contains the expected columns on numbers</p>
569</dd></dl>
570
571<dl class="method">
572<dt id="G2sfact.SHELX4_ReaderClass.Reader">
573<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**unused</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#SHELX4_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.SHELX4_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
574<dd><p>Read the file</p>
575</dd></dl>
576
577</dd></dl>
578
579<dl class="class">
580<dt id="G2sfact.SHELX5_ReaderClass">
581<em class="property">class </em><tt class="descclassname">G2sfact.</tt><tt class="descname">SHELX5_ReaderClass</tt><a class="reference internal" href="_modules/G2sfact.html#SHELX5_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.SHELX5_ReaderClass" title="Permalink to this definition">¶</a></dt>
582<dd><p>Routines to import F**2, sig(F**2) twin/incommensurate reflections from a fixed format SHELX HKLF5 file</p>
583<dl class="method">
584<dt id="G2sfact.SHELX5_ReaderClass.ContentsValidator">
585<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#SHELX5_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.SHELX5_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
586<dd><p>Discover how many columns before F^2 are in the SHELX HKL5 file
587- could be 3-6 depending on satellites</p>
588</dd></dl>
589
590<dl class="method">
591<dt id="G2sfact.SHELX5_ReaderClass.Reader">
592<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**unused</em><big>)</big><a class="reference internal" href="_modules/G2sfact.html#SHELX5_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact.SHELX5_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
593<dd><p>Read the file</p>
594</dd></dl>
595
596</dd></dl>
597
598</div>
599<span class="target" id="module-G2sfact_CIF"></span><div class="section" id="module-g2sfact-cif-cif-import">
600<h3><em>Module G2sfact_CIF: CIF import</em><a class="headerlink" href="#module-g2sfact-cif-cif-import" title="Permalink to this headline">¶</a></h3>
601<p>Read structure factors from a CIF reflection table.</p>
602<dl class="class">
603<dt id="G2sfact_CIF.CIFhklReader">
604<em class="property">class </em><tt class="descclassname">G2sfact_CIF.</tt><tt class="descname">CIFhklReader</tt><a class="reference internal" href="_modules/G2sfact_CIF.html#CIFhklReader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact_CIF.CIFhklReader" title="Permalink to this definition">¶</a></dt>
605<dd><p>Routines to import Phase information from a CIF file</p>
606<dl class="method">
607<dt id="G2sfact_CIF.CIFhklReader.ContentsValidator">
608<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2sfact_CIF.html#CIFhklReader.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact_CIF.CIFhklReader.ContentsValidator" title="Permalink to this definition">¶</a></dt>
609<dd><p>Use standard CIF validator</p>
610</dd></dl>
611
612<dl class="method">
613<dt id="G2sfact_CIF.CIFhklReader.Reader">
614<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**kwarg</em><big>)</big><a class="reference internal" href="_modules/G2sfact_CIF.html#CIFhklReader.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sfact_CIF.CIFhklReader.Reader" title="Permalink to this definition">¶</a></dt>
615<dd><p>Read single crystal data from a CIF.
616If multiple datasets are requested, use self.repeat and buffer caching.</p>
617</dd></dl>
618
619</dd></dl>
620
621</div>
622</div>
623<div class="section" id="small-angle-scattering-data-import-routines">
624<h2>Small Angle Scattering Data Import Routines<a class="headerlink" href="#small-angle-scattering-data-import-routines" title="Permalink to this headline">¶</a></h2>
625<p>Small angle scattering data import routines are classes derived from
626, <tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportSmallAngle</span></tt>.
627They must be found in files named <cite>G2sad*.py</cite> that are in the Python path
628and the class must override the <tt class="docutils literal"><span class="pre">__init__</span></tt> method and add a <tt class="docutils literal"><span class="pre">Reader</span></tt> method.
629The distributed routines are:</p>
630<span class="target" id="module-G2sad_xye"></span><div class="section" id="module-g2sad-xye-read-small-angle-data">
631<h3><em>Module G2sad_xye: read small angle data</em><a class="headerlink" href="#module-g2sad-xye-read-small-angle-data" title="Permalink to this headline">¶</a></h3>
632<p>Routines to read in small angle data from an .xye type file, with
633two-theta or Q steps.</p>
634<dl class="class">
635<dt id="G2sad_xye.txt_CWNeutronReaderClass">
636<em class="property">class </em><tt class="descclassname">G2sad_xye.</tt><tt class="descname">txt_CWNeutronReaderClass</tt><a class="reference internal" href="_modules/G2sad_xye.html#txt_CWNeutronReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sad_xye.txt_CWNeutronReaderClass" title="Permalink to this definition">¶</a></dt>
637<dd><p>Routines to import neutron CW q SAXD data from a .nsad or .ndat file</p>
638<dl class="method">
639<dt id="G2sad_xye.txt_CWNeutronReaderClass.ContentsValidator">
640<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2sad_xye.html#txt_CWNeutronReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sad_xye.txt_CWNeutronReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
641<dd><p>Look through the file for expected types of lines in a valid q-step file</p>
642</dd></dl>
643
644</dd></dl>
645
646<dl class="class">
647<dt id="G2sad_xye.txt_XRayReaderClass">
648<em class="property">class </em><tt class="descclassname">G2sad_xye.</tt><tt class="descname">txt_XRayReaderClass</tt><a class="reference internal" href="_modules/G2sad_xye.html#txt_XRayReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sad_xye.txt_XRayReaderClass" title="Permalink to this definition">¶</a></dt>
649<dd><p>Routines to import X-ray q SAXD data from a .xsad or .xdat file</p>
650<dl class="method">
651<dt id="G2sad_xye.txt_XRayReaderClass.ContentsValidator">
652<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2sad_xye.html#txt_XRayReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sad_xye.txt_XRayReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
653<dd><p>Look through the file for expected types of lines in a valid q-step file</p>
654</dd></dl>
655
656</dd></dl>
657
658<dl class="class">
659<dt id="G2sad_xye.txt_nmCWNeutronReaderClass">
660<em class="property">class </em><tt class="descclassname">G2sad_xye.</tt><tt class="descname">txt_nmCWNeutronReaderClass</tt><a class="reference internal" href="_modules/G2sad_xye.html#txt_nmCWNeutronReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sad_xye.txt_nmCWNeutronReaderClass" title="Permalink to this definition">¶</a></dt>
661<dd><p>Routines to import neutron CW q in nm-1 SAXD data from a .nsad or .ndat file</p>
662<dl class="method">
663<dt id="G2sad_xye.txt_nmCWNeutronReaderClass.ContentsValidator">
664<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2sad_xye.html#txt_nmCWNeutronReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sad_xye.txt_nmCWNeutronReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
665<dd><p>Look through the file for expected types of lines in a valid q-step file</p>
666</dd></dl>
667
668</dd></dl>
669
670<dl class="class">
671<dt id="G2sad_xye.txt_nmXRayReaderClass">
672<em class="property">class </em><tt class="descclassname">G2sad_xye.</tt><tt class="descname">txt_nmXRayReaderClass</tt><a class="reference internal" href="_modules/G2sad_xye.html#txt_nmXRayReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sad_xye.txt_nmXRayReaderClass" title="Permalink to this definition">¶</a></dt>
673<dd><p>Routines to import X-ray q SAXD data from a .xsad or .xdat file, q in nm-1</p>
674<dl class="method">
675<dt id="G2sad_xye.txt_nmXRayReaderClass.ContentsValidator">
676<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2sad_xye.html#txt_nmXRayReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2sad_xye.txt_nmXRayReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
677<dd><p>Look through the file for expected types of lines in a valid q-step file</p>
678</dd></dl>
679
680</dd></dl>
681
682</div>
683</div>
684<div class="section" id="image-import-routines">
685<h2>Image Import Routines<a class="headerlink" href="#image-import-routines" title="Permalink to this headline">¶</a></h2>
686<p>Image import routines are classes derived from
687, <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ImportImage" title="GSASIIIO.ImportImage"><tt class="xref py py-class docutils literal"><span class="pre">GSASIIIO.ImportImage</span></tt></a>.
688They must be found in files named <cite>G2img*.py</cite> that are in the Python path
689and the class must override the <tt class="docutils literal"><span class="pre">__init__</span></tt> method and add a <tt class="docutils literal"><span class="pre">Reader</span></tt> method.
690The distributed routines are:</p>
691<span class="target" id="module-G2img_ADSC"></span><div class="section" id="module-g2img-adsc-img-image-file">
692<h3><em>Module G2img_ADSC: .img image file</em><a class="headerlink" href="#module-g2img-adsc-img-image-file" title="Permalink to this headline">¶</a></h3>
693<p>Routine to read an ADSC .img file</p>
694</div>
695<span class="target" id="module-G2img_EDF"></span><div class="section" id="module-g2img-edf-edf-image-file">
696<h3><em>Module G2img_EDF: .edf image file</em><a class="headerlink" href="#module-g2img-edf-edf-image-file" title="Permalink to this headline">¶</a></h3>
697<p>Routine to read a Read European detector data edf file</p>
698</div>
699<span class="target" id="module-G2img_SumG2"></span><div class="section" id="module-g2img-g2-python-pickled-image">
700<h3><em>Module G2img_G2: Python pickled image</em><a class="headerlink" href="#module-g2img-g2-python-pickled-image" title="Permalink to this headline">¶</a></h3>
701<p>Routine to read an image that has been pickled in Python. Images
702in this format are created by the &#8220;Sum image data&#8221; command.</p>
703</div>
704<span class="target" id="module-G2img_GE"></span><div class="section" id="module-g2img-ge-summed-ge-image-file">
705<h3><em>Module G2img_GE: summed GE image file</em><a class="headerlink" href="#module-g2img-ge-summed-ge-image-file" title="Permalink to this headline">¶</a></h3>
706<p>Routine to read a summed GE image from APS Sector 1</p>
707</div>
708<span class="target" id="module-G2img_MAR"></span><div class="section" id="module-g2img-mar-mar-image-files">
709<h3><em>Module G2img_MAR: MAR image files</em><a class="headerlink" href="#module-g2img-mar-mar-image-files" title="Permalink to this headline">¶</a></h3>
710<p>Routine to read several MAR formats, .mar3450,.mar2300,.mar2560</p>
711</div>
712<span class="target" id="module-G2img_Rigaku"></span><div class="section" id="module-g2img-rigaku-stl-image-file">
713<h3><em>Module G2img_Rigaku: .stl image file</em><a class="headerlink" href="#module-g2img-rigaku-stl-image-file" title="Permalink to this headline">¶</a></h3>
714<p>Routine to read a Rigaku R-Axis IV image file</p>
715</div>
716<span class="target" id="module-G2img_1TIF"></span><div class="section" id="module-g2img-tif-tif-image-file">
717<h3><em>Module G2img_TIF: .tif image file</em><a class="headerlink" href="#module-g2img-tif-tif-image-file" title="Permalink to this headline">¶</a></h3>
718<p>Routine to read an image in Tagged-image file (TIF) format as well as a variety
719of slightly incorrect pseudo-TIF formats used at instruments around the world.</p>
720<dl class="class">
721<dt id="G2img_1TIF.TIF_ReaderClass">
722<em class="property">class </em><tt class="descclassname">G2img_1TIF.</tt><tt class="descname">TIF_ReaderClass</tt><a class="reference internal" href="_modules/G2img_1TIF.html#TIF_ReaderClass"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2img_1TIF.TIF_ReaderClass" title="Permalink to this definition">¶</a></dt>
723<dd><p>Routine to read an image in Tagged-image file (TIF) format as well as a variety
724of slightly incorrect pseudo-TIF formats</p>
725<dl class="method">
726<dt id="G2img_1TIF.TIF_ReaderClass.ContentsValidator">
727<tt class="descname">ContentsValidator</tt><big>(</big><em>filepointer</em><big>)</big><a class="reference internal" href="_modules/G2img_1TIF.html#TIF_ReaderClass.ContentsValidator"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2img_1TIF.TIF_ReaderClass.ContentsValidator" title="Permalink to this definition">¶</a></dt>
728<dd><p>Does the header match the required TIF header?</p>
729</dd></dl>
730
731<dl class="method">
732<dt id="G2img_1TIF.TIF_ReaderClass.Reader">
733<tt class="descname">Reader</tt><big>(</big><em>filename</em>, <em>filepointer</em>, <em>ParentFrame=None</em>, <em>**unused</em><big>)</big><a class="reference internal" href="_modules/G2img_1TIF.html#TIF_ReaderClass.Reader"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#G2img_1TIF.TIF_ReaderClass.Reader" title="Permalink to this definition">¶</a></dt>
734<dd><p>Read the TIF file using Bob&#8217;s routine</p>
735</dd></dl>
736
737</dd></dl>
738
739</div>
740<span class="target" id="module-G2img_CheMin"></span><div class="section" id="module-g2img-png-png-image-file">
741<h3><em>Module G2img_png: png image file</em><a class="headerlink" href="#module-g2img-png-png-image-file" title="Permalink to this headline">¶</a></h3>
742<p>Routine to read an image in .png (Portable Network Graphics) format.
743For now, the only known use of this is with converted CheMin tif files
744so default parameters are that machine.</p>
745</div>
746</div>
747</div>
748
749
750          </div>
751        </div>
752      </div>
753      <div class="sphinxsidebar">
754        <div class="sphinxsidebarwrapper">
755            <p class="logo"><a href="index.html">
756              <img class="logo" src="_static/G2_html_logo.png" alt="Logo"/>
757            </a></p>
758  <h3><a href="index.html">Table Of Contents</a></h3>
759  <ul>
760<li><a class="reference internal" href="#"><em>GSAS-II Import Modules</em></a><ul>
761<li><a class="reference internal" href="#writing-an-import-routine">Writing an Import Routine</a><ul>
762<li><a class="reference internal" href="#init">__init__()</a></li>
763<li><a class="reference internal" href="#reader">Reader()</a><ul>
764<li><a class="reference internal" href="#reader-return-values">Reader return values</a></li>
765<li><a class="reference internal" href="#self-warnings">self.warnings</a></li>
766<li><a class="reference internal" href="#self-errors">self.errors</a></li>
767<li><a class="reference internal" href="#self-repeat">self.repeat</a></li>
768<li><a class="reference internal" href="#support-routines"><em>support routines</em></a></li>
769</ul>
770</li>
771<li><a class="reference internal" href="#contentsvalidator">ContentsValidator()</a></li>
772<li><a class="reference internal" href="#reinitialize">ReInitialize()</a><ul>
773<li><a class="reference internal" href="#contentsvalidator-return-values">ContentsValidator return values</a></li>
774</ul>
775</li>
776</ul>
777</li>
778<li><a class="reference internal" href="#phase-import-routines">Phase Import Routines</a><ul>
779<li><a class="reference internal" href="#module-g2phase-pdb-exp-jana-m40-m50"><em>Module G2phase: PDB, .EXP &amp; JANA m40,m50</em></a></li>
780<li><a class="reference internal" href="#module-g2phase-gpx-import-phase-from-gsas-ii-project"><em>Module G2phase_GPX: Import phase from GSAS-II project</em></a></li>
781<li><a class="reference internal" href="#module-g2phase-cif-coordinates-from-cif"><em>Module G2phase_CIF: Coordinates from CIF</em></a></li>
782</ul>
783</li>
784<li><a class="reference internal" href="#powder-data-import-routines">Powder Data Import Routines</a><ul>
785<li><a class="reference internal" href="#module-g2pwd-gpx-gsas-ii-projects"><em>Module G2pwd_GPX: GSAS-II projects</em></a></li>
786<li><a class="reference internal" href="#module-g2pwd-fxye-gsas-data-files"><em>Module G2pwd_fxye: GSAS data files</em></a></li>
787<li><a class="reference internal" href="#module-g2pwd-xye-topas-xye-data"><em>Module G2pwd_xye: Topas .xye data</em></a></li>
788<li><a class="reference internal" href="#module-g2pwd-cif-cif-powder-data"><em>Module G2pwd_CIF: CIF powder data</em></a></li>
789</ul>
790</li>
791<li><a class="reference internal" href="#single-crystal-data-import-routines">Single Crystal Data Import Routines</a><ul>
792<li><a class="reference internal" href="#module-g2sfact-simple-hkl-import"><em>Module G2sfact: simple HKL import</em></a></li>
793<li><a class="reference internal" href="#module-g2sfact-cif-cif-import"><em>Module G2sfact_CIF: CIF import</em></a></li>
794</ul>
795</li>
796<li><a class="reference internal" href="#small-angle-scattering-data-import-routines">Small Angle Scattering Data Import Routines</a><ul>
797<li><a class="reference internal" href="#module-g2sad-xye-read-small-angle-data"><em>Module G2sad_xye: read small angle data</em></a></li>
798</ul>
799</li>
800<li><a class="reference internal" href="#image-import-routines">Image Import Routines</a><ul>
801<li><a class="reference internal" href="#module-g2img-adsc-img-image-file"><em>Module G2img_ADSC: .img image file</em></a></li>
802<li><a class="reference internal" href="#module-g2img-edf-edf-image-file"><em>Module G2img_EDF: .edf image file</em></a></li>
803<li><a class="reference internal" href="#module-g2img-g2-python-pickled-image"><em>Module G2img_G2: Python pickled image</em></a></li>
804<li><a class="reference internal" href="#module-g2img-ge-summed-ge-image-file"><em>Module G2img_GE: summed GE image file</em></a></li>
805<li><a class="reference internal" href="#module-g2img-mar-mar-image-files"><em>Module G2img_MAR: MAR image files</em></a></li>
806<li><a class="reference internal" href="#module-g2img-rigaku-stl-image-file"><em>Module G2img_Rigaku: .stl image file</em></a></li>
807<li><a class="reference internal" href="#module-g2img-tif-tif-image-file"><em>Module G2img_TIF: .tif image file</em></a></li>
808<li><a class="reference internal" href="#module-g2img-png-png-image-file"><em>Module G2img_png: png image file</em></a></li>
809</ul>
810</li>
811</ul>
812</li>
813</ul>
814
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