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version 0.1.2 removed pycifrw, added news to doc website
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2 changes: 1 addition & 1 deletion doc/_build/html/.buildinfo
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# Sphinx build info version 1
# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
config: 703cc04edf6344aa1e792f9484f86ba0
config: 56975c2304b95edec8a1347d7679ca8a
tags: 645f666f9bcd5a90fca523b33c5a78b7
16 changes: 8 additions & 8 deletions doc/_build/html/PTO_supercrystal_hadjimichael.html
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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Calculation of Atom Plane Curvature &mdash; TEMUL Toolkit v0.1-alpha documentation</title>
<title>Calculation of Atom Plane Curvature &mdash; TEMUL Toolkit v0.1.2 documentation</title>



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<script type="text/javascript">
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
VERSION:'v0.1-alpha',
VERSION:'v0.1.2',
LANGUAGE:'None',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
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<div class="version">
Version 0.1-alpha
Version 0.1.2
</div>


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<div class="section" id="import-the-modules-and-load-the-data">
<h2>Import the Modules and Load the Data<a class="headerlink" href="#import-the-modules-and-load-the-data" title="Permalink to this headline"></a></h2>
<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="gp">&gt;&gt;&gt; </span><span class="kn">from</span> <span class="nn">temul.lattice_structure_tools</span> <span class="kn">import</span> <span class="n">calculate_atom_plane_curvature</span>
<span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">atomap.api</span> <span class="kn">as</span> <span class="nn">am</span>
<span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">hyperspy.api</span> <span class="kn">as</span> <span class="nn">hs</span>
<span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">atomap.api</span> <span class="k">as</span> <span class="nn">am</span>
<span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">hyperspy.api</span> <span class="k">as</span> <span class="nn">hs</span>
<span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">os</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">path_to_data</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">abspath</span><span class="p">(</span><span class="s1">&#39;&#39;</span><span class="p">),</span>
<span class="gp">... </span> <span class="s2">&quot;publication_examples/PTO_supercrystal_hadjimichael/data&quot;</span><span class="p">)</span>
Expand Down Expand Up @@ -230,7 +230,7 @@ <h2>Set up the Parameters<a class="headerlink" href="#set-up-the-parameters" tit
<span class="gp">&gt;&gt;&gt; </span><span class="n">vmin</span><span class="p">,</span> <span class="n">vmax</span> <span class="o">=</span> <span class="mi">1</span><span class="p">,</span> <span class="mi">2</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">cmap</span> <span class="o">=</span> <span class="s1">&#39;bwr&#39;</span> <span class="c1"># see matplotlib and colorcet for more colormaps</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">title</span> <span class="o">=</span> <span class="s1">&#39;Curvature Map&#39;</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">filename</span> <span class="o">=</span> <span class="bp">None</span> <span class="c1"># Set to a string if you want to save the map</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">filename</span> <span class="o">=</span> <span class="kc">None</span> <span class="c1"># Set to a string if you want to save the map</span>
</pre></div>
</div>
<p>Set the extra initial fitting parameters</p>
Expand All @@ -248,12 +248,12 @@ <h2>Calculate the Curvature of Atom Planes<a class="headerlink" href="#calculate
</pre></div>
</div>
<a class="reference internal image-reference" href="_images/Curvature_Map_Example.png"><img alt="_images/Curvature_Map_Example.png" src="_images/Curvature_Map_Example.png" style="width: 619.2px; height: 153.0px;" /></a>
<p>When using <code class="code python docutils literal notranslate"><span class="name"><span class="pre">plot_and_return_fits</span></span><span class="operator"><span class="pre">=</span></span><span class="name builtin pseudo"><span class="pre">True</span></span></code>, the function will return the curve
<p>When using <code class="code python docutils literal notranslate"><span class="name"><span class="pre">plot_and_return_fits</span></span><span class="operator"><span class="pre">=</span></span><span class="keyword constant"><span class="pre">True</span></span></code>, the function will return the curve
fittings, and plot each plane (plots not displayed).</p>
<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="gp">&gt;&gt;&gt; </span><span class="n">curvature_map</span><span class="p">,</span> <span class="n">fittings</span> <span class="o">=</span> <span class="n">calculate_atom_plane_curvature</span><span class="p">(</span><span class="n">sublattice2</span><span class="p">,</span>
<span class="gp">... </span> <span class="n">zone_vector_index</span><span class="p">,</span> <span class="n">sampling</span><span class="o">=</span><span class="n">sampling</span><span class="p">,</span> <span class="n">units</span><span class="o">=</span><span class="n">units</span><span class="p">,</span>
<span class="gp">... </span> <span class="n">cmap</span><span class="o">=</span><span class="n">cmap</span><span class="p">,</span> <span class="n">title</span><span class="o">=</span><span class="n">title</span><span class="p">,</span> <span class="n">atom_planes</span><span class="o">=</span><span class="n">atom_planes</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">,</span>
<span class="gp">... </span> <span class="n">plot_and_return_fits</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span>
<span class="gp">... </span> <span class="n">plot_and_return_fits</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
</pre></div>
</div>
</div>
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2 changes: 2 additions & 0 deletions doc/_build/html/_sources/index.rst.txt
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Expand Up @@ -21,6 +21,8 @@ atomic resolution images. It is mostly built upon the data structure of
Just navigate to the "publication_examples" folder and click on the ".ipynb" files.
.. include:: news.rst


.. toctree::
:maxdepth: 2
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13 changes: 9 additions & 4 deletions doc/_build/html/_sources/install.rst.txt
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Installation
------------

The TEMUL Toolkit can be installed easily with PIP.
The TEMUL Toolkit can be installed easily with PIP (see exceptions below if you're having issues!).

:bash:`$ pip install temul-toolkit`

Expand All @@ -15,10 +15,15 @@ Then, it can be imported with the name "temul". For example, to import the

:python:`import temul.polarisation as tmlpol`

Note 1: If you wish to use the :python:`simulations.py` or :python:`model_refiner.py`
modules, you will need to install PyPrismatic.

Note 2: If you're using any of the functions or classes that require element quantification:
Note 1: If you want to use the :python:`io.write_cif_from_dataframe` function, you
will need to install pyCifRW version 4.3. This requires Visual Studio.

Note 2: If you wish to use the :python:`simulations.py` or :python:`model_refiner.py`
modules, you will need to install PyPrismatic. This requires Visual Studio and other
dependencies.

Note 3: If you're using any of the functions or classes that require element quantification:

* navigate to the "temul/external" directory, copy the "atomap_devel_012" folder and paste that in your "site-packages" directory.
* Then, when using atomap to create sublattices and quantify elements call atomap like this: :python:`import atomap_devel_012.api as am`.
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24 changes: 24 additions & 0 deletions doc/_build/html/_sources/news.rst.txt
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.. _install:

.. include:: define_roles.rst


News
----

**03/11/2020: Version 0.1.2 released**

This version contains minor changes from the 0.1.1 release. It removes pyCifRW
as a dependency, due to PyCifRW requiring Microsoft Visual Studio.


**02/11/2020: Version 0.1.1 released**

This version contains many changes to the TEMUL Toolkit.

* More parameters have been added to the polarisation module's :python:`plot_polarisation_vectors` function. Check out the walkthrough :ref:`here <polarisation_vectors_tutorial>` for more info!
* :ref:`Interactive double Gaussian filtering <dg_visualiser_tutorial>` with the :python:`visualise_dg_filter` function in the signal_processing module. Thanks to `Michael Hennessy <https://github.com/michaelhennessyjr>`_ for the help!
* The :python:`calculate_atom_plane_curvature` function has been added, creating the lattice_structure_tools module.
* Strain, rotation, and c/a mapping can now be done :ref:`here <structure_map_tutorial>`.
* Masked FFT filtering to obtain iFFTs. See :ref:`this guide <masked_fft_tutorial>` to see some code!
* Example walk-throughs for many features of the TEMUL Toolkit are now on this website! Check out the menu on the left to get started!
2 changes: 1 addition & 1 deletion doc/_build/html/_static/documentation_options.js
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var DOCUMENTATION_OPTIONS = {
URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
VERSION: 'v0.1-alpha',
VERSION: 'v0.1.2',
LANGUAGE: 'None',
COLLAPSE_INDEX: false,
FILE_SUFFIX: '.html',
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6 changes: 3 additions & 3 deletions doc/_build/html/api_doc.html
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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>API documentation &mdash; TEMUL Toolkit v0.1-alpha documentation</title>
<title>API documentation &mdash; TEMUL Toolkit v0.1.2 documentation</title>



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<script type="text/javascript">
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
VERSION:'v0.1-alpha',
VERSION:'v0.1.2',
LANGUAGE:'None',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
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<div class="version">
Version 0.1-alpha
Version 0.1.2
</div>


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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>&lt;no title&gt; &mdash; TEMUL Toolkit v0.1-alpha documentation</title>
<title>&lt;no title&gt; &mdash; TEMUL Toolkit v0.1.2 documentation</title>



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<script type="text/javascript">
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
VERSION:'v0.1-alpha',
VERSION:'v0.1.2',
LANGUAGE:'None',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
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<div class="version">
Version 0.1-alpha
Version 0.1.2
</div>


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6 changes: 3 additions & 3 deletions doc/_build/html/dg_visualiser_tutorial.html
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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Interactive Image Filtering &mdash; TEMUL Toolkit v0.1-alpha documentation</title>
<title>Interactive Image Filtering &mdash; TEMUL Toolkit v0.1.2 documentation</title>



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<script type="text/javascript">
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
VERSION:'v0.1-alpha',
VERSION:'v0.1.2',
LANGUAGE:'None',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
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<div class="version">
Version 0.1-alpha
Version 0.1.2
</div>


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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Index &mdash; TEMUL Toolkit v0.1-alpha documentation</title>
<title>Index &mdash; TEMUL Toolkit v0.1.2 documentation</title>



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<script type="text/javascript">
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
VERSION:'v0.1-alpha',
VERSION:'v0.1.2',
LANGUAGE:'None',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
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<div class="version">
Version 0.1-alpha
Version 0.1.2
</div>


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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Welcome to TEMUL Toolkit’s documentation! &mdash; TEMUL Toolkit v0.1-alpha documentation</title>
<title>Welcome to TEMUL Toolkit’s documentation! &mdash; TEMUL Toolkit v0.1.2 documentation</title>



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<script type="text/javascript">
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./',
VERSION:'v0.1-alpha',
VERSION:'v0.1.2',
LANGUAGE:'None',
COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html',
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<div class="version">
Version 0.1-alpha
Version 0.1.2
</div>


Expand Down Expand Up @@ -174,6 +174,23 @@ <h1>Welcome to TEMUL Toolkit’s documentation!<a class="headerlink" href="#welc
<p>The TEMUL Toolkit is a suit of functions and classes for analysis and visualisation of
atomic resolution images. It is mostly built upon the data structure of
<a class="reference external" href="https://hyperspy.org/">HyperSpy</a> and <a class="reference external" href="https://atomap.org/">Atomap</a>.</p>
<div class="section" id="news">
<span id="install"></span><h2>News<a class="headerlink" href="#news" title="Permalink to this headline"></a></h2>
<p><strong>03/11/2020: Version 0.1.2 released</strong></p>
<p>This version contains minor changes from the 0.1.1 release. It removes pyCifRW
as a dependency, due to PyCifRW requiring Microsoft Visual Studio.</p>
<p><strong>02/11/2020: Version 0.1.1 released</strong></p>
<p>This version contains many changes to the TEMUL Toolkit.</p>
<blockquote>
<div><ul class="simple">
<li>More parameters have been added to the polarisation module’s <code class="code python docutils literal notranslate"><span class="name"><span class="pre">plot_polarisation_vectors</span></span></code> function. Check out the walkthrough <a class="reference internal" href="polarisation_vectors_tutorial.html#polarisation-vectors-tutorial"><span class="std std-ref">here</span></a> for more info!</li>
<li><a class="reference internal" href="dg_visualiser_tutorial.html#dg-visualiser-tutorial"><span class="std std-ref">Interactive double Gaussian filtering</span></a> with the <code class="code python docutils literal notranslate"><span class="name"><span class="pre">visualise_dg_filter</span></span></code> function in the signal_processing module. Thanks to <a class="reference external" href="https://github.com/michaelhennessyjr">Michael Hennessy</a> for the help!</li>
<li>The <code class="code python docutils literal notranslate"><span class="name"><span class="pre">calculate_atom_plane_curvature</span></span></code> function has been added, creating the lattice_structure_tools module.</li>
<li>Strain, rotation, and c/a mapping can now be done <a class="reference internal" href="structure_map_tutorial.html#structure-map-tutorial"><span class="std std-ref">here</span></a>.</li>
<li>Masked FFT filtering to obtain iFFTs. See <a class="reference internal" href="masked_fft_tutorial.html#masked-fft-tutorial"><span class="std std-ref">this guide</span></a> to see some code!</li>
<li>Example walk-throughs for many features of the TEMUL Toolkit are now on this website! Check out the menu on the left to get started!</li>
</ul>
</div></blockquote>
<div class="toctree-wrapper compound">
<p class="caption"><span class="caption-text">Contents</span></p>
<ul>
Expand Down Expand Up @@ -217,16 +234,20 @@ <h1>Welcome to TEMUL Toolkit’s documentation!<a class="headerlink" href="#welc
</li>
</ul>
</div>
</div>
<div class="section" id="installation">
<span id="install"></span><h2>Installation<a class="headerlink" href="#installation" title="Permalink to this headline"></a></h2>
<p>The TEMUL Toolkit can be installed easily with PIP.</p>
<span id="id1"></span><h2>Installation<a class="headerlink" href="#installation" title="Permalink to this headline"></a></h2>
<p>The TEMUL Toolkit can be installed easily with PIP (see exceptions below if you’re having issues!).</p>
<p><code class="code bash docutils literal notranslate"><span class="pre">$</span> <span class="pre">pip</span> <span class="pre">install</span> <span class="pre">temul-toolkit</span></code></p>
<p>Then, it can be imported with the name “temul”. For example, to import the
<code class="code python docutils literal notranslate"><span class="name"><span class="pre">polarisation</span></span><span class="operator"><span class="pre">.</span></span><span class="name"><span class="pre">py</span></span></code> module, use:</p>
<p><code class="code python docutils literal notranslate"><span class="keyword namespace"><span class="pre">import</span></span> <span class="name namespace"><span class="pre">temul.polarisation</span></span> <span class="keyword"><span class="pre">as</span></span> <span class="name namespace"><span class="pre">tmlpol</span></span></code></p>
<p>Note 1: If you wish to use the <code class="code python docutils literal notranslate"><span class="name"><span class="pre">simulations</span></span><span class="operator"><span class="pre">.</span></span><span class="name"><span class="pre">py</span></span></code> or <code class="code python docutils literal notranslate"><span class="name"><span class="pre">model_refiner</span></span><span class="operator"><span class="pre">.</span></span><span class="name"><span class="pre">py</span></span></code>
modules, you will need to install PyPrismatic.</p>
<p>Note 2: If you’re using any of the functions or classes that require element quantification:</p>
<p>Note 1: If you want to use the <code class="code python docutils literal notranslate"><span class="name"><span class="pre">io</span></span><span class="operator"><span class="pre">.</span></span><span class="name"><span class="pre">write_cif_from_dataframe</span></span></code> function, you
will need to install pyCifRW version 4.3. This requires Visual Studio.</p>
<p>Note 2: If you wish to use the <code class="code python docutils literal notranslate"><span class="name"><span class="pre">simulations</span></span><span class="operator"><span class="pre">.</span></span><span class="name"><span class="pre">py</span></span></code> or <code class="code python docutils literal notranslate"><span class="name"><span class="pre">model_refiner</span></span><span class="operator"><span class="pre">.</span></span><span class="name"><span class="pre">py</span></span></code>
modules, you will need to install PyPrismatic. This requires Visual Studio and other
dependencies.</p>
<p>Note 3: If you’re using any of the functions or classes that require element quantification:</p>
<blockquote>
<div><ul class="simple">
<li>navigate to the “temul/external” directory, copy the “atomap_devel_012” folder and paste that in your “site-packages” directory.</li>
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