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5 | 5 | <head> |
6 | 6 | <meta charset="utf-8" /> |
7 | 7 | <meta name="viewport" content="width=device-width, initial-scale=1.0" /> |
8 | | - <title>diffpy.morph.morph_api — diffpy.morph 0.1.4rc1 documentation</title> |
| 8 | + <title>diffpy.morph.morph_api — diffpy.morph 0.2.0rc0 documentation</title> |
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40 | 43 | </div> |
41 | 44 | </div><div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="Navigation menu"> |
42 | 45 | <ul> |
43 | | -<li class="toctree-l1"><a class="reference internal" href="../../../quickstart.html">diffpy.morph Tutorial</a></li> |
| 46 | +<li class="toctree-l1"><a class="reference internal" href="../../../quickstart.html">Quickstart</a></li> |
| 47 | +<li class="toctree-l1"><a class="reference internal" href="../../../tutorials.html">Advanced Tutorials</a></li> |
| 48 | +<li class="toctree-l1"><a class="reference internal" href="../../../morphpy.html">Using diffpy.morph in Python</a></li> |
44 | 49 | <li class="toctree-l1"><a class="reference internal" href="../../../license.html">License</a></li> |
45 | | -<li class="toctree-l1"><a class="reference internal" href="../../../release.html">Release Notes</a></li> |
| 50 | +<li class="toctree-l1"><a class="reference internal" href="../../../release.html">Release notes</a></li> |
46 | 51 | <li class="toctree-l1"><a class="reference internal" href="../../../api/diffpy.morph.html">Package API</a></li> |
47 | 52 | </ul> |
48 | 53 |
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@@ -112,16 +117,24 @@ <h1>Source code for diffpy.morph.morph_api</h1><div class="highlight"><pre> |
112 | 117 | <span class="n">morph_helpers</span><span class="o">.</span><span class="n">TransformXtalRDFtoPDF</span><span class="p">,</span> |
113 | 118 | <span class="p">],</span> |
114 | 119 | <span class="n">qdamp</span><span class="o">=</span><span class="n">morphs</span><span class="o">.</span><span class="n">MorphResolutionDamping</span><span class="p">,</span> |
| 120 | + <span class="n">squeeze</span><span class="o">=</span><span class="n">morphs</span><span class="o">.</span><span class="n">MorphSqueeze</span><span class="p">,</span> |
| 121 | + <span class="n">funcy</span><span class="o">=</span><span class="n">morphs</span><span class="o">.</span><span class="n">MorphFuncy</span><span class="p">,</span> |
115 | 122 | <span class="p">)</span> |
116 | 123 | <span class="n">_default_config</span> <span class="o">=</span> <span class="nb">dict</span><span class="p">(</span> |
117 | | - <span class="n">scale</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="n">stretch</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="n">smear</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="n">baselineslope</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="n">qdamp</span><span class="o">=</span><span class="kc">None</span> |
| 124 | + <span class="n">scale</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> |
| 125 | + <span class="n">stretch</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> |
| 126 | + <span class="n">smear</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> |
| 127 | + <span class="n">baselineslope</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> |
| 128 | + <span class="n">qdamp</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> |
| 129 | + <span class="n">squeeze</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> |
| 130 | + <span class="n">funcy</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> |
118 | 131 | <span class="p">)</span> |
119 | 132 |
|
120 | 133 |
|
121 | 134 | <div class="viewcode-block" id="morph_default_config"> |
122 | 135 | <a class="viewcode-back" href="../../../api/diffpy.morph.html#diffpy.morph.morph_api.morph_default_config">[docs]</a> |
123 | 136 | <span class="k">def</span><span class="w"> </span><span class="nf">morph_default_config</span><span class="p">(</span><span class="o">**</span><span class="n">kwargs</span><span class="p">):</span> |
124 | | -<span class="w"> </span><span class="sd">"""function to generate default morph configuration</span> |
| 137 | +<span class="w"> </span><span class="sd">"""Function to generate default morph configuration.</span> |
125 | 138 |
|
126 | 139 | <span class="sd"> Parameters</span> |
127 | 140 | <span class="sd"> ----------</span> |
@@ -166,7 +179,7 @@ <h1>Source code for diffpy.morph.morph_api</h1><div class="highlight"><pre> |
166 | 179 | <span class="n">verbose</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> |
167 | 180 | <span class="o">**</span><span class="n">kwargs</span><span class="p">,</span> |
168 | 181 | <span class="p">):</span> |
169 | | -<span class="w"> </span><span class="sd">"""function to perform PDF morphing.</span> |
| 182 | +<span class="w"> </span><span class="sd">"""Function to perform PDF morphing.</span> |
170 | 183 |
|
171 | 184 | <span class="sd"> Parameters</span> |
172 | 185 | <span class="sd"> ----------</span> |
@@ -213,6 +226,8 @@ <h1>Source code for diffpy.morph.morph_api</h1><div class="highlight"><pre> |
213 | 226 | <span class="sd"> - 'smear'</span> |
214 | 227 | <span class="sd"> - 'baselineslope'</span> |
215 | 228 | <span class="sd"> - 'qdamp'</span> |
| 229 | +<span class="sd"> - 'squeeze'</span> |
| 230 | +<span class="sd"> - 'funcy'</span> |
216 | 231 |
|
217 | 232 | <span class="sd"> Returns</span> |
218 | 233 | <span class="sd"> -------</span> |
@@ -275,6 +290,14 @@ <h1>Source code for diffpy.morph.morph_api</h1><div class="highlight"><pre> |
275 | 290 | <span class="k">if</span> <span class="n">k</span> <span class="o">==</span> <span class="s2">"smear"</span><span class="p">:</span> |
276 | 291 | <span class="p">[</span><span class="n">chain</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">el</span><span class="p">())</span> <span class="k">for</span> <span class="n">el</span> <span class="ow">in</span> <span class="n">morph_cls</span><span class="p">]</span> |
277 | 292 | <span class="n">refpars</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="s2">"baselineslope"</span><span class="p">)</span> |
| 293 | + <span class="k">elif</span> <span class="n">k</span> <span class="o">==</span> <span class="s2">"funcy"</span><span class="p">:</span> |
| 294 | + <span class="n">morph_inst</span> <span class="o">=</span> <span class="n">morph_cls</span><span class="p">()</span> |
| 295 | + <span class="n">morph_inst</span><span class="o">.</span><span class="n">function</span> <span class="o">=</span> <span class="n">rv_cfg</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"function"</span><span class="p">,</span> <span class="kc">None</span><span class="p">)</span> |
| 296 | + <span class="k">if</span> <span class="n">morph_inst</span><span class="o">.</span><span class="n">function</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span> |
| 297 | + <span class="k">raise</span> <span class="ne">ValueError</span><span class="p">(</span> |
| 298 | + <span class="s2">"Must provide a 'function' when using 'parameters'"</span> |
| 299 | + <span class="p">)</span> |
| 300 | + <span class="n">chain</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">morph_inst</span><span class="p">)</span> |
278 | 301 | <span class="k">else</span><span class="p">:</span> |
279 | 302 | <span class="n">chain</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">morph_cls</span><span class="p">())</span> |
280 | 303 | <span class="n">refpars</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">k</span><span class="p">)</span> |
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