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8 changes: 8 additions & 0 deletions docs/_sources/changelog.rst.txt
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matminer Changelog
==================


**v0.3.6**

* Improve MPDataRetrieval to serialize objects (A. Faghaninia)
* Some fixes to GDRF and AFS (L. Williams, M. Dylla)
* Some fixes for Ewald (A. Faghaninia)
* improve error messages (A. Jain)

**v0.3.5**

* some tools for sklearn Pipeline integration (J. Brenneck)
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1 change: 1 addition & 0 deletions docs/_sources/contributors.rst.txt
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* Evgeny Blokhin (Tilde Lab)
* Max Dylla (Snyder Research Group, Northwestern University)
* David Waroquiers (UC Louvain, Belgium)
* Logan Williams (U Michigan Ann Arbor)
8 changes: 8 additions & 0 deletions docs/_sources/matminer.utils.rst.txt
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:undoc-members:
:show-inheritance:

matminer.utils.utils module
---------------------------

.. automodule:: matminer.utils.utils
:members:
:undoc-members:
:show-inheritance:


Module contents
---------------
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2 changes: 1 addition & 1 deletion docs/_static/documentation_options.js
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var DOCUMENTATION_OPTIONS = {
URL_ROOT: '',
VERSION: '0.3.5',
VERSION: '0.3.6',
LANGUAGE: 'None',
COLLAPSE_INDEX: false,
FILE_SUFFIX: '.html',
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13 changes: 10 additions & 3 deletions docs/changelog.html
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<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 0.3.5 documentation</title>
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Expand All @@ -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 0.3.5 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.3.6 documentation</a> &#187;</li>
</ul>
</div>

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<div class="section" id="matminer-changelog">
<h1>matminer Changelog<a class="headerlink" href="#matminer-changelog" title="Permalink to this headline"></a></h1>
<p><strong>v0.3.6</strong></p>
<ul class="simple">
<li>Improve MPDataRetrieval to serialize objects (A. Faghaninia)</li>
<li>Some fixes to GDRF and AFS (L. Williams, M. Dylla)</li>
<li>Some fixes for Ewald (A. Faghaninia)</li>
<li>improve error messages (A. Jain)</li>
</ul>
<p><strong>v0.3.5</strong></p>
<ul class="simple">
<li>some tools for sklearn Pipeline integration (J. Brenneck)</li>
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>modules</a> |</li>
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<li class="nav-item nav-item-0"><a href="index.html">matminer 0.3.6 documentation</a> &#187;</li>
</ul>
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7 changes: 4 additions & 3 deletions docs/contributors.html
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<head>
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<li>Evgeny Blokhin (Tilde Lab)</li>
<li>Max Dylla (Snyder Research Group, Northwestern University)</li>
<li>David Waroquiers (UC Louvain, Belgium)</li>
<li>Logan Williams (U Michigan Ann Arbor)</li>
</ul>
</div>
</div>
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6 changes: 3 additions & 3 deletions docs/example_bulkmod.html
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<head>
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Expand Down Expand Up @@ -361,7 +361,7 @@ <h3>Navigation</h3>
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6 changes: 3 additions & 3 deletions docs/featurizer_summary.html
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<head>
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<title>Table of Featurizers &#8212; matminer 0.3.5 documentation</title>
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>modules</a> |</li>
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Expand Down Expand Up @@ -420,7 +420,7 @@ <h3>Navigation</h3>
<li class="right" >
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>modules</a> |</li>
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20 changes: 12 additions & 8 deletions docs/genindex.html
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<head>
<meta http-equiv="X-UA-Compatible" content="IE=Edge" />
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<title>Index &#8212; matminer 0.3.5 documentation</title>
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>modules</a> |</li>
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</li>
<li><a href="matminer.featurizers.html#matminer.featurizers.stats.PropertyStats.holder_mean">holder_mean() (matminer.featurizers.stats.PropertyStats static method)</a>
</li>
<li><a href="matminer.utils.html#matminer.utils.conversions.homogenize_multiindex">homogenize_multiindex() (in module matminer.utils.conversions)</a>
<li><a href="matminer.utils.html#matminer.utils.utils.homogenize_multiindex">homogenize_multiindex() (in module matminer.utils.utils)</a>
</li>
</ul></td>
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</li>
<li><a href="matminer.figrecipes.html#module-matminer.figrecipes.plot">matminer.figrecipes.plot (module)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="matminer.utils.html#module-matminer.utils">matminer.utils (module)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="matminer.utils.html#module-matminer.utils.caching">matminer.utils.caching (module)</a>
</li>
<li><a href="matminer.utils.html#module-matminer.utils.conversions">matminer.utils.conversions (module)</a>
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<li><a href="matminer.utils.tests.html#module-matminer.utils.tests.test_data">matminer.utils.tests.test_data (module)</a>
</li>
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</li>
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</li>
<li><a href="matminer.featurizers.html#matminer.featurizers.stats.PropertyStats.maximum">maximum() (matminer.featurizers.stats.PropertyStats static method)</a>
</li>
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</ul></li>
<li><a href="matminer.utils.tests.html#matminer.utils.tests.test_conversions.TestConversions.test_json_to_object">test_json_to_object() (matminer.utils.tests.test_conversions.TestConversions method)</a>
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<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="matminer.datasets.test_datasets.html#matminer.datasets.test_datasets.test_datasets.DataSetTest.test_piezoelectric_tensor">test_piezoelectric_tensor() (matminer.datasets.test_datasets.test_datasets.DataSetTest method)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="matminer.utils.tests.html#matminer.utils.tests.test_conversions.TestConversions.test_str_to_composition">test_str_to_composition() (matminer.utils.tests.test_conversions.TestConversions method)</a>
</li>
<li><a href="matminer.utils.tests.html#matminer.utils.tests.test_conversions.TestConversions.test_structure_to_composition">test_structure_to_composition() (matminer.utils.tests.test_conversions.TestConversions method)</a>
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</li>
</ul></li>
<li><a href="matminer.figrecipes.html#matminer.figrecipes.plot.PlotlyFig.triangle">triangle() (matminer.figrecipes.plot.PlotlyFig method)</a>
</li>
<li><a href="matminer.data_retrieval.html#matminer.data_retrieval.retrieve_MP.MPDataRetrieval.try_get_prop_by_material_id">try_get_prop_by_material_id() (matminer.data_retrieval.retrieve_MP.MPDataRetrieval method)</a>
</li>
</ul></td>
</tr></table>
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<li class="right" >
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<li class="nav-item nav-item-0"><a href="index.html">matminer 0.3.5 documentation</a> &#187;</li>
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<head>
<meta http-equiv="X-UA-Compatible" content="IE=Edge" />
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Expand All @@ -28,7 +28,7 @@ <h3>Navigation</h3>
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Expand Down Expand Up @@ -229,7 +229,7 @@ <h3>Navigation</h3>
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6 changes: 3 additions & 3 deletions docs/installation.html
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<head>
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Expand Down Expand Up @@ -120,7 +120,7 @@ <h3>Navigation</h3>
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46 changes: 40 additions & 6 deletions docs/matminer.data_retrieval.html
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<head>
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Expand Down Expand Up @@ -326,12 +326,46 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
<dd><p>Gets data from MP in a dataframe format. See api_link for more details.</p>
<dl class="docutils">
<dt>Args:</dt>
<dd>all arguments including criteria, properties and index_mpid are the
same as in get_data</dd>
<dd><p class="first">criteria (dict): the same as in get_data
properties ([str]): the same properties supported as in get_data</p>
<blockquote>
<div>plus: “structure”, “initial_structure”, “final_structure”,
“bandstructure” (line mode), “bandstructure_uniform”,
“phonon_bandstructure”, “phonon_ddb”, “phonon_bandstructure”,
“phonon_dos”. Note that for a long list of compounds, it may
take a long time to retrieve some of these objects.</div></blockquote>
<p class="last">index_mpid (bool): the same as in get_data
kwargs (dict): the same keyword arguments as in get_data</p>
</dd>
</dl>
<p>Returns (pandas.Dataframe):</p>
</dd></dl>

<dl class="method">
<dt id="matminer.data_retrieval.retrieve_MP.MPDataRetrieval.try_get_prop_by_material_id">
<code class="descname">try_get_prop_by_material_id</code><span class="sig-paren">(</span><em>prop</em>, <em>material_id_list</em>, <em>**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#matminer.data_retrieval.retrieve_MP.MPDataRetrieval.try_get_prop_by_material_id" title="Permalink to this definition"></a></dt>
<dd><p>Call the relevant get_prop_by_material_id. “prop” is a property such
as bandstructure that is not readily available in supported properties
of the get_data function but via the get_bandstructure_by_material_id
method for example.</p>
<dl class="docutils">
<dt>Args:</dt>
<dd><dl class="first docutils">
<dt>prop (str): the name of the property. Options are:</dt>
<dd>“bandstructure”, “dos”, “phonon_dos”, “phonon_bandstructure”,
“phonon_ddb”</dd>
</dl>
<p>material_id_list ([str]): list of material_id of compounds
kwargs (dict): other keyword arguments that get_*_by_material_id</p>
<blockquote class="last">
<div>may have; e.g. line_mode in get_bandstructure_by_material_id</div></blockquote>
</dd>
<dt>Returns ([target prop object or NaN]):</dt>
<dd>If the target property is not available for a certain material_id,
NaN is returned.</dd>
</dl>
</dd></dl>

</dd></dl>

</div>
Expand Down Expand Up @@ -420,7 +454,7 @@ <h2>matminer.data_retrieval.retrieve_MPDS module<a class="headerlink" href="#mat
<dl class="class">
<dt id="matminer.data_retrieval.retrieve_base.BaseDataRetrieval">
<em class="property">class </em><code class="descclassname">matminer.data_retrieval.retrieve_base.</code><code class="descname">BaseDataRetrieval</code><a class="headerlink" href="#matminer.data_retrieval.retrieve_base.BaseDataRetrieval" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <a class="reference external" href="https://docs.python.org/3/library/functions.html#object" title="(in Python v3.6)"><code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></a></p>
<dd><p>Bases: <a class="reference external" href="https://docs.python.org/3/library/functions.html#object" title="(in Python v3.7)"><code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></a></p>
<p>Abstract class to retrieve data from various material APIs while adhering to
a quasi-standard format for querying.</p>
<p>## Implementing a new DataRetrieval class</p>
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