Update to v0.4.0

hackingmaterials · Aug 20, 2018 · 25839c7 · 25839c7
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diff --git a/docs/_images/math/fa34489cf430b7630b30f28b2eb050e2489e3523.png b/docs/_images/math/fa34489cf430b7630b30f28b2eb050e2489e3523.png
diff --git a/docs/_sources/changelog.rst.txt b/docs/_sources/changelog.rst.txt
@@ -5,6 +5,14 @@
 matminer Changelog
 ==================
 
+**v0.4.0**
+
+* Progressbar for featurizers (A. Dunn)
+* Add BOOP features (L. Ward)
+* Add Seko features, including more lookuip tables for MagpieData and elemental property site features + covariance, skew, kurtosis (L. Ward)
+* New scheme for GRDF/AFS bin functions (L. Ward)
+* misc fixes (A. Dunn., L. Ward)
+
 **v0.3.9**
 
 * BandEdge renamed to Hybridization, gives smoother featurizations (M. Dylla, A. Faghaninia)

diff --git a/docs/_sources/featurizer_summary.rst.txt b/docs/_sources/featurizer_summary.rst.txt
@@ -132,6 +132,8 @@ Name Description
 :code:`GeneralizedRadialDistributionFunction` Compute the general radial distribution function (GRDF) for a site. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.site.GeneralizedRadialDistributionFunction>`_
 :code:`AngularFourierSeries` Compute the angular Fourier series (AFS), including both angular and radial info `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.site.AngularFourierSeries>`_
 :code:`LocalPropertyDifference` Differences in elemental properties between site and its neighboring sites. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.site.LocalPropertyDifference>`_
+:code:`BondOrientationalParameter` Averages of spherical harmonics of local neighbors `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.site.BondOrientationalParameter>`_
+:code:`SiteElementalProperty` `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.site.SiteElementalProperty>`_
 ============================================= ================================================================================================================================================================================================================================================================================================================================================================================================================
 
 

diff --git a/docs/_sources/matminer.featurizers.rst.txt b/docs/_sources/matminer.featurizers.rst.txt
@@ -1,6 +1,13 @@
 matminer.featurizers package
 ============================
 
+Subpackages
+-----------
+
+.. toctree::
+
+ matminer.featurizers.utils
+
 Submodules
 ----------
 
@@ -60,14 +67,6 @@ matminer.featurizers.site module
  :undoc-members:
  :show-inheritance:
 
-matminer.featurizers.stats module
----------------------------------
-
-.. automodule:: matminer.featurizers.stats
- :members:
- :undoc-members:
- :show-inheritance:
-
 matminer.featurizers.structure module
 -------------------------------------
 

diff --git a/docs/_sources/matminer.featurizers.utils.rst.txt b/docs/_sources/matminer.featurizers.utils.rst.txt
@@ -0,0 +1,30 @@
+matminer.featurizers.utils package
+==================================
+
+Submodules
+----------
+
+matminer.featurizers.utils.grdf module
+--------------------------------------
+
+.. automodule:: matminer.featurizers.utils.grdf
+ :members:
+ :undoc-members:
+ :show-inheritance:
+
+matminer.featurizers.utils.stats module
+---------------------------------------
+
+.. automodule:: matminer.featurizers.utils.stats
+ :members:
+ :undoc-members:
+ :show-inheritance:
+
+
+Module contents
+---------------
+
+.. automodule:: matminer.featurizers.utils
+ :members:
+ :undoc-members:
+ :show-inheritance:
diff --git a/docs/_static/documentation_options.js b/docs/_static/documentation_options.js
@@ -1,6 +1,6 @@
 var DOCUMENTATION_OPTIONS = {
  URL_ROOT: '',
- VERSION: '0.3.9',
+ VERSION: '0.4.0',
  LANGUAGE: 'None',
  COLLAPSE_INDEX: false,
  FILE_SUFFIX: '.html',

diff --git a/docs/changelog.html b/docs/changelog.html
@@ -6,7 +6,7 @@
  <head>
  <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
  <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
- <title>MatMiner Changlog &#8212; matminer 0.3.9 documentation</title>
+ <title>MatMiner Changlog &#8212; matminer 0.4.0 documentation</title>
  <link rel="stylesheet" href="_static/nature.css" type="text/css" />
  <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
  <script type="text/javascript" src="_static/documentation_options.js"></script>
@@ -28,7 +28,7 @@ <h3>Navigation</h3>
  <li class="right" >
  <a href="py-modindex.html" title="Python Module Index"
  >modules</a> |</li>
- <li class="nav-item nav-item-0"><a href="index.html">matminer 0.3.9 documentation</a> &#187;</li> 
+ <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.0 documentation</a> &#187;</li> 
  </ul>
  </div> 
 
@@ -39,6 +39,14 @@ <h3>Navigation</h3>
 
  <div class="section" id="matminer-changelog">
 <h1>matminer Changelog<a class="headerlink" href="#matminer-changelog" title="Permalink to this headline">¶</a></h1>
+<p><strong>v0.4.0</strong></p>
+<ul class="simple">
+<li>Progressbar for featurizers (A. Dunn)</li>
+<li>Add BOOP features (L. Ward)</li>
+<li>Add Seko features, including more lookuip tables for MagpieData and elemental property site features + covariance, skew, kurtosis (L. Ward)</li>
+<li>New scheme for GRDF/AFS bin functions (L. Ward)</li>
+<li>misc fixes (A. Dunn., L. Ward)</li>
+</ul>
 <p><strong>v0.3.9</strong></p>
 <ul class="simple">
 <li>BandEdge renamed to Hybridization, gives smoother featurizations (M. Dylla, A. Faghaninia)</li>
@@ -330,7 +338,7 @@ <h3>Navigation</h3>
  <li class="right" >
  <a href="py-modindex.html" title="Python Module Index"
  >modules</a> |</li>
- <li class="nav-item nav-item-0"><a href="index.html">matminer 0.3.9 documentation</a> &#187;</li> 
+ <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.0 documentation</a> &#187;</li> 
  </ul>
  </div>
 

diff --git a/docs/contributors.html b/docs/contributors.html
@@ -6,7 +6,7 @@
  <head>
  <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
  <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
- <title>MatMiner Contributors &#8212; matminer 0.3.9 documentation</title>
+ <title>MatMiner Contributors &#8212; matminer 0.4.0 documentation</title>
  <link rel="stylesheet" href="_static/nature.css" type="text/css" />
  <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
  <script type="text/javascript" src="_static/documentation_options.js"></script>
@@ -28,7 +28,7 @@ <h3>Navigation</h3>
  <li class="right" >
  <a href="py-modindex.html" title="Python Module Index"
  >modules</a> |</li>
- <li class="nav-item nav-item-0"><a href="index.html">matminer 0.3.9 documentation</a> &#187;</li> 
+ <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.0 documentation</a> &#187;</li> 
  </ul>
  </div> 
 
@@ -133,7 +133,7 @@ <h3>Navigation</h3>
  <li class="right" >
  <a href="py-modindex.html" title="Python Module Index"
  >modules</a> |</li>
- <li class="nav-item nav-item-0"><a href="index.html">matminer 0.3.9 documentation</a> &#187;</li> 
+ <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.0 documentation</a> &#187;</li> 
  </ul>
  </div>
 

diff --git a/docs/example_bulkmod.html b/docs/example_bulkmod.html
@@ -6,7 +6,7 @@
  <head>
  <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
  <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
- <title>Predicting bulk moduli with matminer &#8212; matminer 0.3.9 documentation</title>
+ <title>Predicting bulk moduli with matminer &#8212; matminer 0.4.0 documentation</title>
  <link rel="stylesheet" href="_static/nature.css" type="text/css" />
  <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
  <script type="text/javascript" src="_static/documentation_options.js"></script>
@@ -28,7 +28,7 @@ <h3>Navigation</h3>
  <li class="right" >
  <a href="py-modindex.html" title="Python Module Index"
  >modules</a> |</li>
- <li class="nav-item nav-item-0"><a href="index.html">matminer 0.3.9 documentation</a> &#187;</li> 
+ <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.0 documentation</a> &#187;</li> 
  </ul>
  </div> 
 
@@ -361,7 +361,7 @@ <h3>Navigation</h3>
  <li class="right" >
  <a href="py-modindex.html" title="Python Module Index"
  >modules</a> |</li>
- <li class="nav-item nav-item-0"><a href="index.html">matminer 0.3.9 documentation</a> &#187;</li> 
+ <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.0 documentation</a> &#187;</li> 
  </ul>
  </div>
 

diff --git a/docs/featurizer_summary.html b/docs/featurizer_summary.html
@@ -6,7 +6,7 @@
  <head>
  <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
  <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
- <title>Table of Featurizers &#8212; matminer 0.3.9 documentation</title>
+ <title>Table of Featurizers &#8212; matminer 0.4.0 documentation</title>
  <link rel="stylesheet" href="_static/nature.css" type="text/css" />
  <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
  <script type="text/javascript" src="_static/documentation_options.js"></script>
@@ -28,7 +28,7 @@ <h3>Navigation</h3>
  <li class="right" >
  <a href="py-modindex.html" title="Python Module Index"
  >modules</a> |</li>
- <li class="nav-item nav-item-0"><a href="index.html">matminer 0.3.9 documentation</a> &#187;</li> 
+ <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.0 documentation</a> &#187;</li> 
  </ul>
  </div> 
 
@@ -264,6 +264,12 @@ <h3>Features from individual sites in a material’s crystal structure.<a class=
 <tr class="row-odd"><td><code class="code docutils literal notranslate"><span class="pre">LocalPropertyDifference</span></code></td>
 <td>Differences in elemental properties between site and its neighboring sites. <a class="reference external" href="https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.site.LocalPropertyDifference">[more]</a></td>
 </tr>
+<tr class="row-even"><td><code class="code docutils literal notranslate"><span class="pre">BondOrientationalParameter</span></code></td>
+<td>Averages of spherical harmonics of local neighbors <a class="reference external" href="https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.site.BondOrientationalParameter">[more]</a></td>
+</tr>
+<tr class="row-odd"><td><code class="code docutils literal notranslate"><span class="pre">SiteElementalProperty</span></code></td>
+<td><a class="reference external" href="https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.site.SiteElementalProperty">[more]</a></td>
+</tr>
 </tbody>
 </table>
 </div>
@@ -420,7 +426,7 @@ <h3>Navigation</h3>
  <li class="right" >
  <a href="py-modindex.html" title="Python Module Index"
  >modules</a> |</li>
- <li class="nav-item nav-item-0"><a href="index.html">matminer 0.3.9 documentation</a> &#187;</li> 
+ <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.0 documentation</a> &#187;</li> 
  </ul>
  </div>