Update to v0.4.6

hackingmaterials · Dec 14, 2018 · a6654fc · a6654fc
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diff --git a/docs/_sources/changelog.rst.txt b/docs/_sources/changelog.rst.txt
@@ -5,6 +5,12 @@
 matminer Changelog
 ==================
 
+**v0.4.6**
+
+* Jarvis CFID descriptors (A. Dunn, K. Choudhary)
+* Allow oxi conversion featurizers to return original object (A. Ganose)
+* better contribution docs (A. Dunn, A. Jain)
+
 **v0.4.5**
 
 * fix for missing data set loader file (D. Dopp)

diff --git a/docs/_sources/contributors.rst.txt b/docs/_sources/contributors.rst.txt
@@ -51,4 +51,5 @@ Other
 * Max Dylla (Snyder Research Group, Northwestern University)
 * David Waroquiers (UC Louvain, Belgium)
 * Logan Williams (U Michigan Ann Arbor)
-* Aidan Thompson (Sandia National Lab)
+* Aidan Thompson (Sandia National Lab)
+* Kamal Choudhary (NIST)
diff --git a/docs/_sources/featurizer_summary.rst.txt b/docs/_sources/featurizer_summary.rst.txt
@@ -34,8 +34,8 @@ Parent classes and meta-featurizers.
 ==========================   ================================================================================================================================================================================================================================================================================================================================================================================================================
 Name                         Description
 ==========================   ================================================================================================================================================================================================================================================================================================================================================================================================================
-:code:`MultipleFeaturizer`    `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.base.MultipleFeaturizer>`_
-:code:`StackedFeaturizer`     `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.base.StackedFeaturizer>`_
+:code:`MultipleFeaturizer`   Class to run multiple featurizers on the same input data. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.base.MultipleFeaturizer>`_
+:code:`StackedFeaturizer`    Use the output of a machine learning model as features `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.base.StackedFeaturizer>`_
 :code:`BaseFeaturizer`       Abstract class to calculate features from raw materials input data `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.base.BaseFeaturizer>`_
 ==========================   ================================================================================================================================================================================================================================================================================================================================================================================================================
 
@@ -133,7 +133,7 @@ Name                                            Description
 :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>`_
+:code:`SiteElementalProperty`                   Elemental properties of atom on a certain site `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.site.SiteElementalProperty>`_
 :code:`AverageBondLength`                       Determines the average bond length between one specific site `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.site.AverageBondLength>`_
 :code:`AverageBondAngle`                        Determines the average bond angles of a specific site with `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.site.AverageBondAngle>`_
 =============================================   ================================================================================================================================================================================================================================================================================================================================================================================================================
@@ -171,6 +171,7 @@ Name                                           Description
 :code:`ChemicalOrdering`                       How much the ordering of species in the structure differs from random `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.ChemicalOrdering>`_
 :code:`StructureComposition`                   Features related to the composition of a structure `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.StructureComposition>`_
 :code:`XRDPowderPattern`                       1D array representing powder diffraction of a structure as calculated by `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.XRDPowderPattern>`_
+:code:`JarvisCFID`                             Classical Force-Field Inspired Descriptors (CFID) from Jarvis-ML. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.JarvisCFID>`_
 ============================================   ================================================================================================================================================================================================================================================================================================================================================================================================================
 
 

diff --git a/docs/_sources/index.rst.txt b/docs/_sources/index.rst.txt
@@ -183,9 +183,9 @@ Changelog
 
 Check out our full changelog :doc:`here. </changelog>`
 
------------------------------
-Contributions and Bug Reports
------------------------------
+-------------------------
+Contributions and Support
+-------------------------
 Want to see something added or changed? Here's a few ways you can!
 
 * Help us improve the documentation. Tell us where you got 'stuck' and improve the install process for everyone.
@@ -194,6 +194,8 @@ Want to see something added or changed? Here's a few ways you can!
 
 Submit all questions and contact to the `Google group <https://groups.google.com/forum/#!forum/matminer>`_
 
+A comprehensive guide to contributions can be found `here. <https://github.com/hackingmaterials/matminer/blob/master/CONTRIBUTING.md>`_
+
 A full list of contributors can be found :doc:`here. </contributors>`
 
 ==================

diff --git a/docs/_static/documentation_options.js b/docs/_static/documentation_options.js
@@ -1,6 +1,6 @@
 var DOCUMENTATION_OPTIONS = {
     URL_ROOT: '',
-    VERSION: '0.4.5',
+    VERSION: '0.4.6',
     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 Changelog &#8212; matminer 0.4.5 documentation</title>
+    <title>MatMiner Changelog &#8212; matminer 0.4.6 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 0.4.5 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.6 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -39,6 +39,12 @@ <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>v0.4.6</strong></p>
+<ul class="simple">
+<li>Jarvis CFID descriptors (A. Dunn, K. Choudhary)</li>
+<li>Allow oxi conversion featurizers to return original object (A. Ganose)</li>
+<li>better contribution docs (A. Dunn, A. Jain)</li>
+</ul>
 <p><strong>v0.4.5</strong></p>
 <ul class="simple">
 <li>fix for missing data set loader file (D. Dopp)</li>
@@ -381,7 +387,7 @@ <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 0.4.5 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.6 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 0.4.5 documentation</title>
+    <title>MatMiner Contributors &#8212; matminer 0.4.6 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 0.4.5 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.6 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -84,6 +84,7 @@ <h2>Other<a class="headerlink" href="#other" title="Permalink to this headline">
 <li>David Waroquiers (UC Louvain, Belgium)</li>
 <li>Logan Williams (U Michigan Ann Arbor)</li>
 <li>Aidan Thompson (Sandia National Lab)</li>
+<li>Kamal Choudhary (NIST)</li>
 </ul>
 </div>
 </div>
@@ -137,7 +138,7 @@ <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 0.4.5 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.6 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/dataset_addition_guide.html b/docs/dataset_addition_guide.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>Guide to adding datasets to matminer &#8212; matminer 0.4.5 documentation</title>
+    <title>Guide to adding datasets to matminer &#8212; matminer 0.4.6 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 0.4.5 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.6 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -333,7 +333,7 @@ <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 0.4.5 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.6 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/dataset_summary.html b/docs/dataset_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>Datasets Available in Matminer &#8212; matminer 0.4.5 documentation</title>
+    <title>Datasets Available in Matminer &#8212; matminer 0.4.6 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 0.4.5 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.6 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -1800,7 +1800,7 @@ <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 0.4.5 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.6 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 0.4.5 documentation</title>
+    <title>Predicting bulk moduli with matminer &#8212; matminer 0.4.6 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 0.4.5 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.6 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 0.4.5 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.4.6 documentation</a> &#187;</li> 
       </ul>
     </div>