|
81 | 81 | <p>Tools for processing x-ray powder diffraction data from laboratory sources</p> |
82 | 82 | <section id="submodules"> |
83 | 83 | <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading"></a></h2> |
84 | | -<section id="module-diffpy.labpdfproc.functions"> |
85 | | -<span id="diffpy-labpdfproc-functions-module"></span><h3>diffpy.labpdfproc.functions module<a class="headerlink" href="#module-diffpy.labpdfproc.functions" title="Link to this heading"></a></h3> |
86 | | -<dl class="py class"> |
87 | | -<dt class="sig sig-object py" id="diffpy.labpdfproc.functions.Gridded_circle"> |
88 | | -<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">diffpy.labpdfproc.functions.</span></span><span class="sig-name descname"><span class="pre">Gridded_circle</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">radius</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">n_points_on_diameter</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">300</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mu</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/diffpy/labpdfproc/functions.html#Gridded_circle"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#diffpy.labpdfproc.functions.Gridded_circle" title="Link to this definition"></a></dt> |
89 | | -<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p> |
90 | | -<dl class="py method"> |
91 | | -<dt class="sig sig-object py" id="diffpy.labpdfproc.functions.Gridded_circle.get_path_length"> |
92 | | -<span class="sig-name descname"><span class="pre">get_path_length</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">grid_point</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">angle</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/diffpy/labpdfproc/functions.html#Gridded_circle.get_path_length"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#diffpy.labpdfproc.functions.Gridded_circle.get_path_length" title="Link to this definition"></a></dt> |
93 | | -<dd><p>return the path length</p> |
94 | | -<p>This is the pathlength of a horizontal line entering the circle at the |
95 | | -same height to the grid point then exiting at angle angle</p> |
96 | | -<dl class="field-list simple"> |
97 | | -<dt class="field-odd">Parameters<span class="colon">:</span></dt> |
98 | | -<dd class="field-odd"><ul class="simple"> |
99 | | -<li><p><strong>floats</strong> (<em>grid_point double of</em>) – the coordinate inside the circle</p></li> |
100 | | -<li><p><strong>float</strong> (<em>angle</em>) – the angle of the output beam</p></li> |
101 | | -<li><p><strong>radius</strong> – the radius of the circle</p></li> |
102 | | -</ul> |
103 | | -</dd> |
104 | | -<dt class="field-even">Return type<span class="colon">:</span></dt> |
105 | | -<dd class="field-even"><p>floats total distance, primary distance and secondary distance</p> |
106 | | -</dd> |
107 | | -</dl> |
108 | | -</dd></dl> |
109 | | - |
110 | | -<dl class="py method"> |
111 | | -<dt class="sig sig-object py" id="diffpy.labpdfproc.functions.Gridded_circle.set_distances_at_angle"> |
112 | | -<span class="sig-name descname"><span class="pre">set_distances_at_angle</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">angle</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/diffpy/labpdfproc/functions.html#Gridded_circle.set_distances_at_angle"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#diffpy.labpdfproc.functions.Gridded_circle.set_distances_at_angle" title="Link to this definition"></a></dt> |
113 | | -<dd><p>given an angle, set the distances from the grid points to the entry and exit coordinates</p> |
114 | | -<dl class="field-list simple"> |
115 | | -<dt class="field-odd">Parameters<span class="colon">:</span></dt> |
116 | | -<dd class="field-odd"><p><strong>float</strong> (<em>angle</em>) – the angle in degrees</p> |
117 | | -</dd> |
118 | | -<dt class="field-even">Return type<span class="colon">:</span></dt> |
119 | | -<dd class="field-even"><p>the list of distances containing total distance, primary distance and secondary distance</p> |
120 | | -</dd> |
121 | | -</dl> |
122 | | -</dd></dl> |
123 | | - |
124 | | -<dl class="py method"> |
125 | | -<dt class="sig sig-object py" id="diffpy.labpdfproc.functions.Gridded_circle.set_muls_at_angle"> |
126 | | -<span class="sig-name descname"><span class="pre">set_muls_at_angle</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">angle</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/diffpy/labpdfproc/functions.html#Gridded_circle.set_muls_at_angle"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#diffpy.labpdfproc.functions.Gridded_circle.set_muls_at_angle" title="Link to this definition"></a></dt> |
127 | | -<dd><p>compute muls = exp(-mu*distance) for a given angle</p> |
128 | | -<dl class="field-list simple"> |
129 | | -<dt class="field-odd">Parameters<span class="colon">:</span></dt> |
130 | | -<dd class="field-odd"><p><strong>float</strong> (<em>angle</em>) – the angle in degrees</p> |
131 | | -</dd> |
132 | | -<dt class="field-even">Return type<span class="colon">:</span></dt> |
133 | | -<dd class="field-even"><p>an array of floats containing the muls corresponding to each angle</p> |
134 | | -</dd> |
135 | | -</dl> |
136 | | -</dd></dl> |
137 | | - |
138 | | -</dd></dl> |
139 | | - |
140 | | -<dl class="py function"> |
141 | | -<dt class="sig sig-object py" id="diffpy.labpdfproc.functions.apply_corr"> |
142 | | -<span class="sig-prename descclassname"><span class="pre">diffpy.labpdfproc.functions.</span></span><span class="sig-name descname"><span class="pre">apply_corr</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">diffraction_pattern</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">absorption_correction</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/diffpy/labpdfproc/functions.html#apply_corr"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#diffpy.labpdfproc.functions.apply_corr" title="Link to this definition"></a></dt> |
143 | | -<dd><p>Apply absorption correction to the given diffraction object modo with the correction diffraction object abdo</p> |
144 | | -<dl class="field-list simple"> |
145 | | -<dt class="field-odd">Parameters<span class="colon">:</span></dt> |
146 | | -<dd class="field-odd"><ul class="simple"> |
147 | | -<li><p><strong>Diffraction_object</strong> (<em>absorption_correction</em>) – the input diffraction object to which the cve will be applied</p></li> |
148 | | -<li><p><strong>Diffraction_object</strong> – the diffraction object that contains the cve to be applied</p></li> |
149 | | -</ul> |
150 | | -</dd> |
151 | | -<dt class="field-even">Return type<span class="colon">:</span></dt> |
152 | | -<dd class="field-even"><p>a corrected diffraction object with the correction applied through multiplication</p> |
153 | | -</dd> |
154 | | -</dl> |
155 | | -</dd></dl> |
156 | | - |
157 | | -<dl class="py function"> |
158 | | -<dt class="sig sig-object py" id="diffpy.labpdfproc.functions.compute_cve"> |
159 | | -<span class="sig-prename descclassname"><span class="pre">diffpy.labpdfproc.functions.</span></span><span class="sig-name descname"><span class="pre">compute_cve</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">diffraction_data</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mud</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">wavelength</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/diffpy/labpdfproc/functions.html#compute_cve"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#diffpy.labpdfproc.functions.compute_cve" title="Link to this definition"></a></dt> |
160 | | -<dd><p>compute the cve for given diffraction data, mud and wavelength</p> |
161 | | -<dl class="field-list simple"> |
162 | | -<dt class="field-odd">Parameters<span class="colon">:</span></dt> |
163 | | -<dd class="field-odd"><ul class="simple"> |
164 | | -<li><p><strong>Diffraction_object</strong> (<em>diffraction_data</em>) – the diffraction pattern</p></li> |
165 | | -<li><p><strong>float</strong> (<em>wavelength</em>) – the mu*D of the diffraction object, where D is the diameter of the circle</p></li> |
166 | | -<li><p><strong>float</strong> – the wavelength of the diffraction object</p></li> |
167 | | -</ul> |
168 | | -</dd> |
169 | | -<dt class="field-even">Returns<span class="colon">:</span></dt> |
170 | | -<dd class="field-even"><p><ul class="simple"> |
171 | | -<li><p><em>the diffraction object with cve curves</em></p></li> |
172 | | -<li><p><em>it is computed as follows</em></p></li> |
173 | | -<li><p><em>We first resample data and absorption correction to a more reasonable grid,</em></p></li> |
174 | | -<li><p><em>then calculate corresponding cve for the given mud in the resample grid</em></p></li> |
175 | | -<li><p><em>(since the same mu*D yields the same cve, we can assume that D/2=1, so mu=mud/2),</em></p></li> |
176 | | -<li><p><em>and finally interpolate cve to the original grid in diffraction_data.</em></p></li> |
177 | | -</ul> |
178 | | -</p> |
179 | | -</dd> |
180 | | -</dl> |
181 | | -</dd></dl> |
182 | | - |
| 84 | +<section id="diffpy-labpdfproc-functions-module"> |
| 85 | +<h3>diffpy.labpdfproc.functions module<a class="headerlink" href="#diffpy-labpdfproc-functions-module" title="Link to this heading"></a></h3> |
183 | 86 | </section> |
184 | 87 | <section id="module-diffpy.labpdfproc.tools"> |
185 | 88 | <span id="diffpy-labpdfproc-tools-module"></span><h3>diffpy.labpdfproc.tools module<a class="headerlink" href="#module-diffpy.labpdfproc.tools" title="Link to this heading"></a></h3> |
@@ -310,18 +213,8 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi |
310 | 213 | </dd></dl> |
311 | 214 |
|
312 | 215 | </section> |
313 | | -<section id="module-diffpy.labpdfproc.labpdfprocapp"> |
314 | | -<span id="diffpy-labpdfproc-labpdfprocapp-module"></span><h3>diffpy.labpdfproc.labpdfprocapp module<a class="headerlink" href="#module-diffpy.labpdfproc.labpdfprocapp" title="Link to this heading"></a></h3> |
315 | | -<dl class="py function"> |
316 | | -<dt class="sig sig-object py" id="diffpy.labpdfproc.labpdfprocapp.get_args"> |
317 | | -<span class="sig-prename descclassname"><span class="pre">diffpy.labpdfproc.labpdfprocapp.</span></span><span class="sig-name descname"><span class="pre">get_args</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">override_cli_inputs</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/diffpy/labpdfproc/labpdfprocapp.html#get_args"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#diffpy.labpdfproc.labpdfprocapp.get_args" title="Link to this definition"></a></dt> |
318 | | -<dd></dd></dl> |
319 | | - |
320 | | -<dl class="py function"> |
321 | | -<dt class="sig sig-object py" id="diffpy.labpdfproc.labpdfprocapp.main"> |
322 | | -<span class="sig-prename descclassname"><span class="pre">diffpy.labpdfproc.labpdfprocapp.</span></span><span class="sig-name descname"><span class="pre">main</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference internal" href="../_modules/diffpy/labpdfproc/labpdfprocapp.html#main"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#diffpy.labpdfproc.labpdfprocapp.main" title="Link to this definition"></a></dt> |
323 | | -<dd></dd></dl> |
324 | | - |
| 216 | +<section id="diffpy-labpdfproc-labpdfprocapp-module"> |
| 217 | +<h3>diffpy.labpdfproc.labpdfprocapp module<a class="headerlink" href="#diffpy-labpdfproc-labpdfprocapp-module" title="Link to this heading"></a></h3> |
325 | 218 | </section> |
326 | 219 | </section> |
327 | 220 | </section> |
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