mirror of
https://github.com/ANL-CEEESA/LLEPE.git
synced 2025-12-06 01:48:53 -06:00
rename for rtd
This commit is contained in:
titusquah
2
docs/_build/html/.buildinfo
vendored
2
docs/_build/html/.buildinfo
vendored
@@ -1,4 +1,4 @@
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# Sphinx build info version 1
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# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
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config: 09c8b5742a1f96cda53a1848d8ac9ec1
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config: fdde7da710e99305b2f90b2ffb8f91ce
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tags: 645f666f9bcd5a90fca523b33c5a78b7
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||||
|
||||
6
docs/_build/html/_modules/index.html
vendored
6
docs/_build/html/_modules/index.html
vendored
@@ -85,10 +85,11 @@
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||||
<ul>
|
||||
<li class="toctree-l1"><a class="reference internal" href="../guide/install.html">Installation</a></li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="../guide/quickstart.html">Getting Started</a></li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="../guide/about.html">About</a></li>
|
||||
</ul>
|
||||
<p class="caption"><span class="caption-text">Searchers</span></p>
|
||||
<ul>
|
||||
<li class="toctree-l1"><a class="reference internal" href="../modules/reeps.html">LLEPE</a></li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="../modules/LLEPE.html">LLEPE</a></li>
|
||||
</ul>
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||||
|
||||
|
||||
@@ -151,7 +152,6 @@
|
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||||
<h1>All modules for which code is available</h1>
|
||||
<ul><li><a href="llepe/llepe.html">llepe.llepe</a></li>
|
||||
<li><a href="reeps/reeps.html">reeps.reeps</a></li>
|
||||
</ul>
|
||||
|
||||
</div>
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||||
@@ -164,7 +164,7 @@
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||||
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||||
<div role="contentinfo">
|
||||
<p>
|
||||
© Copyright 2020, Titus Quah, Nwike Iloeje
|
||||
© Copyright 2020, UChicago Argonne, LLC.
|
||||
|
||||
</p>
|
||||
</div>
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||||
|
||||
124
docs/_build/html/_modules/llepe/llepe.html
vendored
124
docs/_build/html/_modules/llepe/llepe.html
vendored
@@ -85,10 +85,11 @@
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||||
<ul>
|
||||
<li class="toctree-l1"><a class="reference internal" href="../../guide/install.html">Installation</a></li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="../../guide/quickstart.html">Getting Started</a></li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="../../guide/about.html">About</a></li>
|
||||
</ul>
|
||||
<p class="caption"><span class="caption-text">Searchers</span></p>
|
||||
<ul>
|
||||
<li class="toctree-l1"><a class="reference internal" href="../../modules/reeps.html">LLEPE</a></li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="../../modules/LLEPE.html">LLEPE</a></li>
|
||||
</ul>
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||||
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||||
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||||
@@ -169,7 +170,7 @@
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<span class="kn">from</span> <span class="nn">.utils</span> <span class="kn">import</span> <span class="n">set_size</span>
|
||||
|
||||
|
||||
<div class="viewcode-block" id="LLEPE"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE">[docs]</a><span class="k">class</span> <span class="nc">LLEPE</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE">[docs]</a><span class="k">class</span> <span class="nc">LLEPE</span><span class="p">:</span>
|
||||
<span class="sa">r</span><span class="sd">"""</span>
|
||||
<span class="sd"> Liquid-Liquid Extraction Parameter estimator</span>
|
||||
|
||||
@@ -180,7 +181,7 @@
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||||
<span class="sd"> must be the same order as they appear in the xml, complex_names and</span>
|
||||
<span class="sd"> extracted_species_ion_names.</span>
|
||||
|
||||
<span class="sd"> For example, say in exp_csv_filename's csv, ES_1 is Nd ES_2 is Pr,</span>
|
||||
<span class="sd"> For example, say in exp_data, ES_1 is Nd ES_2 is Pr,</span>
|
||||
<span class="sd"> and</span>
|
||||
|
||||
<span class="sd"> .. code-block:: python</span>
|
||||
@@ -191,7 +192,7 @@
|
||||
|
||||
<span class="sd"> Then:</span>
|
||||
|
||||
<span class="sd"> The csvs column ordering must be:</span>
|
||||
<span class="sd"> The exp_data column ordering must be (names do not matter):</span>
|
||||
|
||||
<span class="sd"> [h_i, h_eq, z_i, z_eq, Nd_aq_i, Nd_aq_eq, Nd_d_eq,</span>
|
||||
<span class="sd"> Pr_aq_i, Pr_aq_eq, Pr_d_eq]</span>
|
||||
@@ -526,7 +527,8 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_predicted_dict</span> <span class="o">=</span> <span class="kc">None</span>
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">update_predicted_dict</span><span class="p">()</span>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.scipy_minimize"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.scipy_minimize">[docs]</a> <span class="nd">@staticmethod</span>
|
||||
<span class="c1"># TODO: move scipy_minimize to optimizers</span>
|
||||
<div class="viewcode-block" id="LLEPE.scipy_minimize"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.scipy_minimize">[docs]</a> <span class="nd">@staticmethod</span>
|
||||
<span class="k">def</span> <span class="nf">scipy_minimize</span><span class="p">(</span><span class="n">objective</span><span class="p">,</span> <span class="n">x_guess</span><span class="p">,</span> <span class="n">optimizer_kwargs</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
|
||||
<span class="sd">""" The default optimizer for LLEPE</span>
|
||||
|
||||
@@ -560,7 +562,8 @@
|
||||
<span class="n">est_parameters</span> <span class="o">=</span> <span class="n">res</span><span class="o">.</span><span class="n">x</span>
|
||||
<span class="k">return</span> <span class="n">est_parameters</span><span class="p">,</span> <span class="n">res</span><span class="o">.</span><span class="n">fun</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.log_mean_squared_error"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.log_mean_squared_error">[docs]</a> <span class="k">def</span> <span class="nf">log_mean_squared_error</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">predicted_dict</span><span class="p">,</span> <span class="n">meas_df</span><span class="p">):</span>
|
||||
<span class="c1"># TODO: move log_mean_squared_error to objectives</span>
|
||||
<div class="viewcode-block" id="LLEPE.log_mean_squared_error"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.log_mean_squared_error">[docs]</a> <span class="k">def</span> <span class="nf">log_mean_squared_error</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">predicted_dict</span><span class="p">,</span> <span class="n">meas_df</span><span class="p">):</span>
|
||||
<span class="sd">"""Default objective function for LLEPE</span>
|
||||
|
||||
<span class="sd"> Returns the log mean squared error of</span>
|
||||
@@ -584,14 +587,14 @@
|
||||
<span class="n">obj</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">log_diff</span><span class="p">)</span>
|
||||
<span class="k">return</span> <span class="n">obj</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_exp_df"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_exp_df">[docs]</a> <span class="k">def</span> <span class="nf">get_exp_df</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="n">pd</span><span class="o">.</span><span class="n">DataFrame</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_exp_df"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_exp_df">[docs]</a> <span class="k">def</span> <span class="nf">get_exp_df</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="n">pd</span><span class="o">.</span><span class="n">DataFrame</span><span class="p">:</span>
|
||||
<span class="sd">"""Returns the experimental DataFrame</span>
|
||||
|
||||
<span class="sd"> :return: (pd.DataFrame) Experimental data</span>
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_exp_df</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_exp_df"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_exp_df">[docs]</a> <span class="k">def</span> <span class="nf">set_exp_df</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">exp_data</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_exp_df"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_exp_df">[docs]</a> <span class="k">def</span> <span class="nf">set_exp_df</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">exp_data</span><span class="p">):</span>
|
||||
<span class="sd">"""Changes the experimental DataFrame to input exp_csv_filename data</span>
|
||||
<span class="sd"> and renames columns to internal LLEPE names</span>
|
||||
|
||||
@@ -632,7 +635,7 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">update_predicted_dict</span><span class="p">()</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_phases"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_phases">[docs]</a> <span class="k">def</span> <span class="nf">get_phases</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">list</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_phases"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_phases">[docs]</a> <span class="k">def</span> <span class="nf">get_phases</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">list</span><span class="p">:</span>
|
||||
<span class="sd">"""</span>
|
||||
<span class="sd"> Returns the list of Cantera solutions</span>
|
||||
|
||||
@@ -640,7 +643,7 @@
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_phases</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_phases"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_phases">[docs]</a> <span class="k">def</span> <span class="nf">set_phases</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">phases_xml_filename</span><span class="p">,</span> <span class="n">phase_names</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_phases"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_phases">[docs]</a> <span class="k">def</span> <span class="nf">set_phases</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">phases_xml_filename</span><span class="p">,</span> <span class="n">phase_names</span><span class="p">):</span>
|
||||
<span class="sd">"""Change list of Cantera solutions by inputting</span>
|
||||
<span class="sd"> new xml file name and phase names</span>
|
||||
|
||||
@@ -673,7 +676,7 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">update_predicted_dict</span><span class="p">()</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_opt_dict"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_opt_dict">[docs]</a> <span class="k">def</span> <span class="nf">get_opt_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">dict</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_opt_dict"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_opt_dict">[docs]</a> <span class="k">def</span> <span class="nf">get_opt_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">dict</span><span class="p">:</span>
|
||||
<span class="sd">"""</span>
|
||||
<span class="sd"> Returns the dictionary containing optimization information</span>
|
||||
|
||||
@@ -682,7 +685,7 @@
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_opt_dict</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_opt_dict"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_opt_dict">[docs]</a> <span class="k">def</span> <span class="nf">set_opt_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">opt_dict</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_opt_dict"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_opt_dict">[docs]</a> <span class="k">def</span> <span class="nf">set_opt_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">opt_dict</span><span class="p">):</span>
|
||||
<span class="sd">"""</span>
|
||||
<span class="sd"> Change the dictionary to input opt_dict.</span>
|
||||
|
||||
@@ -698,14 +701,14 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_opt_dict</span> <span class="o">=</span> <span class="n">opt_dict</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_aq_solvent_name"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_aq_solvent_name">[docs]</a> <span class="k">def</span> <span class="nf">get_aq_solvent_name</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">str</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_aq_solvent_name"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_aq_solvent_name">[docs]</a> <span class="k">def</span> <span class="nf">get_aq_solvent_name</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">str</span><span class="p">:</span>
|
||||
<span class="sd">"""Returns aq_solvent_name</span>
|
||||
|
||||
<span class="sd"> :return: aq_solvent_name: (str) name of aqueous solvent in xml file</span>
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_aq_solvent_name</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_aq_solvent_name"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_aq_solvent_name">[docs]</a> <span class="k">def</span> <span class="nf">set_aq_solvent_name</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">aq_solvent_name</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_aq_solvent_name"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_aq_solvent_name">[docs]</a> <span class="k">def</span> <span class="nf">set_aq_solvent_name</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">aq_solvent_name</span><span class="p">):</span>
|
||||
<span class="sd">""" Change aq_solvent_name to input aq_solvent_name</span>
|
||||
|
||||
<span class="sd"> :param aq_solvent_name: (str) name of aqueous solvent in xml file</span>
|
||||
@@ -713,14 +716,14 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_aq_solvent_name</span> <span class="o">=</span> <span class="n">aq_solvent_name</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_extractant_name"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_extractant_name">[docs]</a> <span class="k">def</span> <span class="nf">get_extractant_name</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">str</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_extractant_name"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_extractant_name">[docs]</a> <span class="k">def</span> <span class="nf">get_extractant_name</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">str</span><span class="p">:</span>
|
||||
<span class="sd">"""Returns extractant name</span>
|
||||
|
||||
<span class="sd"> :return: extractant_name: (str) name of extractant in xml file</span>
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_extractant_name</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_extractant_name"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_extractant_name">[docs]</a> <span class="k">def</span> <span class="nf">set_extractant_name</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">extractant_name</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_extractant_name"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_extractant_name">[docs]</a> <span class="k">def</span> <span class="nf">set_extractant_name</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">extractant_name</span><span class="p">):</span>
|
||||
<span class="sd">"""</span>
|
||||
<span class="sd"> Change extractant_name to input extractant_name</span>
|
||||
<span class="sd"> :param extractant_name: (str) name of extractant in xml file</span>
|
||||
@@ -728,13 +731,13 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_extractant_name</span> <span class="o">=</span> <span class="n">extractant_name</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_diluant_name"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_diluant_name">[docs]</a> <span class="k">def</span> <span class="nf">get_diluant_name</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">str</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_diluant_name"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_diluant_name">[docs]</a> <span class="k">def</span> <span class="nf">get_diluant_name</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">str</span><span class="p">:</span>
|
||||
<span class="sd">""" Returns diluant name</span>
|
||||
<span class="sd"> :return: diluant_name: (str) name of diluant in xml file</span>
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_diluant_name</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_diluant_name"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_diluant_name">[docs]</a> <span class="k">def</span> <span class="nf">set_diluant_name</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">diluant_name</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_diluant_name"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_diluant_name">[docs]</a> <span class="k">def</span> <span class="nf">set_diluant_name</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">diluant_name</span><span class="p">):</span>
|
||||
<span class="sd">"""</span>
|
||||
<span class="sd"> Change diluant_name to input diluant_name</span>
|
||||
|
||||
@@ -743,14 +746,14 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_diluant_name</span> <span class="o">=</span> <span class="n">diluant_name</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_complex_names"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_complex_names">[docs]</a> <span class="k">def</span> <span class="nf">get_complex_names</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">list</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_complex_names"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_complex_names">[docs]</a> <span class="k">def</span> <span class="nf">get_complex_names</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">list</span><span class="p">:</span>
|
||||
<span class="sd">"""Returns list of complex names</span>
|
||||
|
||||
<span class="sd"> :return: complex_names: (list) names of complexes in xml file.</span>
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_complex_names</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_complex_names"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_complex_names">[docs]</a> <span class="k">def</span> <span class="nf">set_complex_names</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">complex_names</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_complex_names"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_complex_names">[docs]</a> <span class="k">def</span> <span class="nf">set_complex_names</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">complex_names</span><span class="p">):</span>
|
||||
<span class="sd">"""Change complex names list to input complex_names</span>
|
||||
|
||||
<span class="sd"> :param complex_names: (list) names of complexes in xml file.</span>
|
||||
@@ -758,7 +761,7 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_complex_names</span> <span class="o">=</span> <span class="n">complex_names</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_extracted_species_ion_names"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_extracted_species_ion_names">[docs]</a> <span class="k">def</span> <span class="nf">get_extracted_species_ion_names</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">list</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_extracted_species_ion_names"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_extracted_species_ion_names">[docs]</a> <span class="k">def</span> <span class="nf">get_extracted_species_ion_names</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">list</span><span class="p">:</span>
|
||||
<span class="sd">"""Returns list of extracted species ion names</span>
|
||||
|
||||
<span class="sd"> :return: extracted_species_ion_names: (list) names of</span>
|
||||
@@ -766,7 +769,7 @@
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_extracted_species_ion_names</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_extracted_species_ion_names"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_extracted_species_ion_names">[docs]</a> <span class="k">def</span> <span class="nf">set_extracted_species_ion_names</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">extracted_species_ion_names</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_extracted_species_ion_names"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_extracted_species_ion_names">[docs]</a> <span class="k">def</span> <span class="nf">set_extracted_species_ion_names</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">extracted_species_ion_names</span><span class="p">):</span>
|
||||
<span class="sd">"""Change list of extracted species ion names to input</span>
|
||||
<span class="sd"> extracted_species_ion_names</span>
|
||||
|
||||
@@ -776,7 +779,7 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_extracted_species_ion_names</span> <span class="o">=</span> <span class="n">extracted_species_ion_names</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_extracted_species_list"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_extracted_species_list">[docs]</a> <span class="k">def</span> <span class="nf">get_extracted_species_list</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">list</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_extracted_species_list"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_extracted_species_list">[docs]</a> <span class="k">def</span> <span class="nf">get_extracted_species_list</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">list</span><span class="p">:</span>
|
||||
<span class="sd">"""Returns list of extracted species names</span>
|
||||
|
||||
<span class="sd"> :return: extracted_species_list: (list) names of extracted species in</span>
|
||||
@@ -784,7 +787,7 @@
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_extracted_species_list</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_extracted_species_list"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_extracted_species_list">[docs]</a> <span class="k">def</span> <span class="nf">set_extracted_species_list</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">extracted_species_list</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_extracted_species_list"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_extracted_species_list">[docs]</a> <span class="k">def</span> <span class="nf">set_extracted_species_list</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">extracted_species_list</span><span class="p">):</span>
|
||||
<span class="sd">"""Change list of extracted species ion names to input</span>
|
||||
<span class="sd"> extracted_species_ion_names</span>
|
||||
|
||||
@@ -794,14 +797,14 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_extracted_species_list</span> <span class="o">=</span> <span class="n">extracted_species_list</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_aq_solvent_rho"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_aq_solvent_rho">[docs]</a> <span class="k">def</span> <span class="nf">get_aq_solvent_rho</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">str</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_aq_solvent_rho"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_aq_solvent_rho">[docs]</a> <span class="k">def</span> <span class="nf">get_aq_solvent_rho</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">str</span><span class="p">:</span>
|
||||
<span class="sd">"""Returns aqueous solvent density (g/L)</span>
|
||||
|
||||
<span class="sd"> :return: aq_solvent_rho: (float) density of aqueous solvent</span>
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_aq_solvent_rho</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_aq_solvent_rho"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_aq_solvent_rho">[docs]</a> <span class="k">def</span> <span class="nf">set_aq_solvent_rho</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">aq_solvent_rho</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_aq_solvent_rho"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_aq_solvent_rho">[docs]</a> <span class="k">def</span> <span class="nf">set_aq_solvent_rho</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">aq_solvent_rho</span><span class="p">):</span>
|
||||
<span class="sd">"""Changes aqueous solvent density (g/L) to input aq_solvent_rho</span>
|
||||
|
||||
<span class="sd"> :param aq_solvent_rho: (float) density of aqueous solvent</span>
|
||||
@@ -809,14 +812,14 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_aq_solvent_rho</span> <span class="o">=</span> <span class="n">aq_solvent_rho</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_extractant_rho"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_extractant_rho">[docs]</a> <span class="k">def</span> <span class="nf">get_extractant_rho</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">str</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_extractant_rho"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_extractant_rho">[docs]</a> <span class="k">def</span> <span class="nf">get_extractant_rho</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">str</span><span class="p">:</span>
|
||||
<span class="sd">"""Returns extractant density (g/L)</span>
|
||||
|
||||
<span class="sd"> :return: extractant_rho: (float) density of extractant</span>
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_extractant_rho</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_extractant_rho"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_extractant_rho">[docs]</a> <span class="k">def</span> <span class="nf">set_extractant_rho</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">extractant_rho</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_extractant_rho"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_extractant_rho">[docs]</a> <span class="k">def</span> <span class="nf">set_extractant_rho</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">extractant_rho</span><span class="p">):</span>
|
||||
<span class="sd">"""Changes extractant density (g/L) to input extractant_rho</span>
|
||||
|
||||
<span class="sd"> :param extractant_rho: (float) density of extractant</span>
|
||||
@@ -824,14 +827,14 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_extractant_rho</span> <span class="o">=</span> <span class="n">extractant_rho</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_diluant_rho"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_diluant_rho">[docs]</a> <span class="k">def</span> <span class="nf">get_diluant_rho</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">str</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_diluant_rho"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_diluant_rho">[docs]</a> <span class="k">def</span> <span class="nf">get_diluant_rho</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="nb">str</span><span class="p">:</span>
|
||||
<span class="sd">"""Returns diluant density (g/L)</span>
|
||||
|
||||
<span class="sd"> :return: diluant_rho: (float) density of diluant</span>
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_diluant_rho</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_diluant_rho"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_diluant_rho">[docs]</a> <span class="k">def</span> <span class="nf">set_diluant_rho</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">diluant_rho</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_diluant_rho"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_diluant_rho">[docs]</a> <span class="k">def</span> <span class="nf">set_diluant_rho</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">diluant_rho</span><span class="p">):</span>
|
||||
<span class="sd">"""Changes diluant density (g/L) to input diluant_rho</span>
|
||||
|
||||
<span class="sd"> :param diluant_rho: (float) density of diluant</span>
|
||||
@@ -839,7 +842,12 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_diluant_rho</span> <span class="o">=</span> <span class="n">diluant_rho</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_in_moles"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_in_moles">[docs]</a> <span class="k">def</span> <span class="nf">set_in_moles</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">feed_vol</span><span class="p">):</span>
|
||||
<span class="c1"># TODO: Change input DataFrame structure to contain information about</span>
|
||||
<span class="c1"># other species like NaCl</span>
|
||||
<span class="c1"># TODO: Change DataFrame structure to contain info about O/A ratio</span>
|
||||
<span class="c1"># TODO: Generalize code to more than just org and aq phase (3+ phases)</span>
|
||||
<span class="c1"># TODO: Handle multiple electrolytes ie. NO3- with Cl-</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_in_moles"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_in_moles">[docs]</a> <span class="k">def</span> <span class="nf">set_in_moles</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">feed_vol</span><span class="p">):</span>
|
||||
<span class="sd">"""Function that initializes mole fractions to input feed_vol</span>
|
||||
|
||||
<span class="sd"> This function is called at initialization</span>
|
||||
@@ -922,7 +930,7 @@
|
||||
<span class="k">for</span> <span class="n">extracted_species</span> <span class="ow">in</span> <span class="n">extracted_species_list</span><span class="p">])</span>
|
||||
<span class="n">extracted_species_charge_sum</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span>
|
||||
<span class="n">extracted_species_charges</span> <span class="o">*</span> <span class="n">extracted_species_moles</span><span class="p">)</span>
|
||||
<span class="n">chlorine_moles</span> <span class="o">=</span> <span class="n">extracted_species_charge_sum</span> <span class="o">+</span> <span class="n">h_plus_moles</span>
|
||||
<span class="n">anion_moles</span> <span class="o">=</span> <span class="n">extracted_species_charge_sum</span> <span class="o">+</span> <span class="n">h_plus_moles</span>
|
||||
<span class="n">extractant_moles</span> <span class="o">=</span> <span class="n">feed_vol</span> <span class="o">*</span> <span class="n">row</span><span class="p">[</span><span class="s1">'z_i'</span><span class="p">]</span>
|
||||
<span class="n">extractant_vol</span> <span class="o">=</span> <span class="n">extractant_moles</span> <span class="o">*</span> <span class="n">extractant_mw</span> <span class="o">/</span> <span class="n">extractant_rho</span>
|
||||
<span class="n">diluant_vol</span> <span class="o">=</span> <span class="n">feed_vol</span> <span class="o">-</span> <span class="n">extractant_vol</span>
|
||||
@@ -932,7 +940,7 @@
|
||||
<span class="n">species_moles_aq</span> <span class="o">=</span> <span class="p">[</span><span class="n">aq_phase_solvent_moles</span><span class="p">,</span>
|
||||
<span class="n">h_plus_moles</span><span class="p">,</span>
|
||||
<span class="n">hydroxide_ions</span><span class="p">,</span>
|
||||
<span class="n">chlorine_moles</span><span class="p">]</span>
|
||||
<span class="n">anion_moles</span><span class="p">]</span>
|
||||
<span class="n">species_moles_aq</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="nb">list</span><span class="p">(</span><span class="n">extracted_species_moles</span><span class="p">))</span>
|
||||
<span class="n">species_moles_org</span> <span class="o">=</span> <span class="p">[</span><span class="n">extractant_moles</span><span class="p">,</span> <span class="n">diluant_moles</span><span class="p">]</span>
|
||||
<span class="n">species_moles_org</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="nb">list</span><span class="p">(</span><span class="n">complex_moles</span><span class="p">))</span>
|
||||
@@ -946,7 +954,7 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">update_predicted_dict</span><span class="p">()</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_in_moles"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_in_moles">[docs]</a> <span class="k">def</span> <span class="nf">get_in_moles</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="n">pd</span><span class="o">.</span><span class="n">DataFrame</span><span class="p">:</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_in_moles"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_in_moles">[docs]</a> <span class="k">def</span> <span class="nf">get_in_moles</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span> <span class="o">-></span> <span class="n">pd</span><span class="o">.</span><span class="n">DataFrame</span><span class="p">:</span>
|
||||
<span class="sd">"""Returns the in_moles DataFrame which contains the initial mole</span>
|
||||
<span class="sd"> fractions of each species for each experiment</span>
|
||||
|
||||
@@ -954,7 +962,7 @@
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_in_moles</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_objective_function"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_objective_function">[docs]</a> <span class="k">def</span> <span class="nf">set_objective_function</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">objective_function</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_objective_function"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_objective_function">[docs]</a> <span class="k">def</span> <span class="nf">set_objective_function</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">objective_function</span><span class="p">):</span>
|
||||
<span class="sd">"""Change objective function to input objective_function.</span>
|
||||
|
||||
<span class="sd"> See class docstring on "objective_function" for instructions</span>
|
||||
@@ -979,7 +987,7 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_objective_function</span> <span class="o">=</span> <span class="n">objective_function</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_objective_function"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_objective_function">[docs]</a> <span class="k">def</span> <span class="nf">get_objective_function</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_objective_function"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_objective_function">[docs]</a> <span class="k">def</span> <span class="nf">get_objective_function</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||||
<span class="sd">"""Returns objective function</span>
|
||||
|
||||
<span class="sd"> :return: objective_function: (func) Objective function to quantify</span>
|
||||
@@ -987,7 +995,7 @@
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_objective_function</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_optimizer"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_optimizer">[docs]</a> <span class="k">def</span> <span class="nf">set_optimizer</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">optimizer</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_optimizer"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_optimizer">[docs]</a> <span class="k">def</span> <span class="nf">set_optimizer</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">optimizer</span><span class="p">):</span>
|
||||
<span class="sd">"""Change optimizer function to input optimizer.</span>
|
||||
|
||||
<span class="sd"> See class docstring on "optimizer" for instructions</span>
|
||||
@@ -1012,7 +1020,7 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_optimizer</span> <span class="o">=</span> <span class="n">optimizer</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_optimizer"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_optimizer">[docs]</a> <span class="k">def</span> <span class="nf">get_optimizer</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_optimizer"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_optimizer">[docs]</a> <span class="k">def</span> <span class="nf">get_optimizer</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||||
<span class="sd">"""Returns objective function</span>
|
||||
|
||||
<span class="sd"> :return: optimizer: (func) Optimizer function to minimize objective</span>
|
||||
@@ -1020,7 +1028,7 @@
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_optimizer</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_temp_xml_file_path"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_temp_xml_file_path">[docs]</a> <span class="k">def</span> <span class="nf">get_temp_xml_file_path</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_temp_xml_file_path"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_temp_xml_file_path">[docs]</a> <span class="k">def</span> <span class="nf">get_temp_xml_file_path</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||||
<span class="sd">"""Returns path to temporary xml file.</span>
|
||||
|
||||
<span class="sd"> This xml file is a duplicate of the phases_xml_file name and is</span>
|
||||
@@ -1031,7 +1039,7 @@
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_temp_xml_file_path</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_temp_xml_file_path"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_temp_xml_file_path">[docs]</a> <span class="k">def</span> <span class="nf">set_temp_xml_file_path</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">temp_xml_file_path</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_temp_xml_file_path"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_temp_xml_file_path">[docs]</a> <span class="k">def</span> <span class="nf">set_temp_xml_file_path</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">temp_xml_file_path</span><span class="p">):</span>
|
||||
<span class="sd">"""Changes temporary xml file path to input temp_xml_file_path.</span>
|
||||
|
||||
<span class="sd"> This xml file is a duplicate of the phases_xml_file name and is</span>
|
||||
@@ -1043,7 +1051,7 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_temp_xml_file_path</span> <span class="o">=</span> <span class="n">temp_xml_file_path</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_dependant_params_dict"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_dependant_params_dict">[docs]</a> <span class="k">def</span> <span class="nf">get_dependant_params_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_dependant_params_dict"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_dependant_params_dict">[docs]</a> <span class="k">def</span> <span class="nf">get_dependant_params_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||||
<span class="sd">"""</span>
|
||||
<span class="sd"> Returns the dependant_params_dict</span>
|
||||
|
||||
@@ -1052,7 +1060,7 @@
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_dependant_params_dict</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_dependant_params_dict"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_dependant_params_dict">[docs]</a> <span class="k">def</span> <span class="nf">set_dependant_params_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">dependant_params_dict</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_dependant_params_dict"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_dependant_params_dict">[docs]</a> <span class="k">def</span> <span class="nf">set_dependant_params_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">dependant_params_dict</span><span class="p">):</span>
|
||||
<span class="sd">"""</span>
|
||||
<span class="sd"> Sets the dependant_params_dict</span>
|
||||
|
||||
@@ -1062,7 +1070,7 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_dependant_params_dict</span> <span class="o">=</span> <span class="n">dependant_params_dict</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_custom_objects_dict"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_custom_objects_dict">[docs]</a> <span class="k">def</span> <span class="nf">get_custom_objects_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_custom_objects_dict"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_custom_objects_dict">[docs]</a> <span class="k">def</span> <span class="nf">get_custom_objects_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||||
<span class="sd">"""</span>
|
||||
<span class="sd"> Returns the custom_objects_dict</span>
|
||||
|
||||
@@ -1071,7 +1079,7 @@
|
||||
<span class="sd"> """</span>
|
||||
<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">_custom_objects_dict</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.set_custom_objects_dict"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.set_custom_objects_dict">[docs]</a> <span class="k">def</span> <span class="nf">set_custom_objects_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">custom_objects_dict</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.set_custom_objects_dict"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.set_custom_objects_dict">[docs]</a> <span class="k">def</span> <span class="nf">set_custom_objects_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">custom_objects_dict</span><span class="p">):</span>
|
||||
<span class="sd">"""</span>
|
||||
<span class="sd"> Sets the custom_objects_dict</span>
|
||||
|
||||
@@ -1081,7 +1089,11 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_custom_objects_dict</span> <span class="o">=</span> <span class="n">custom_objects_dict</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.update_predicted_dict"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.update_predicted_dict">[docs]</a> <span class="k">def</span> <span class="nf">update_predicted_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span>
|
||||
<span class="c1"># TODO: Change DataFrame strucutre to contain info whether to set</span>
|
||||
<span class="c1"># equilibrium pH to measured value. Will be useful for saponification</span>
|
||||
<span class="c1"># TODO: Find way to add saponification to model.</span>
|
||||
<span class="c1"># Maybe use fsolve to match experimental equilibrium pH</span>
|
||||
<div class="viewcode-block" id="LLEPE.update_predicted_dict"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.update_predicted_dict">[docs]</a> <span class="k">def</span> <span class="nf">update_predicted_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span>
|
||||
<span class="n">phases_xml_filename</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span>
|
||||
<span class="n">phase_names</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
|
||||
<span class="sd">"""Function that computes the predicted equilibrium concentrations</span>
|
||||
@@ -1148,7 +1160,7 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_predicted_dict</span> <span class="o">=</span> <span class="n">predicted_dict</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.get_predicted_dict"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.get_predicted_dict">[docs]</a> <span class="k">def</span> <span class="nf">get_predicted_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.get_predicted_dict"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.get_predicted_dict">[docs]</a> <span class="k">def</span> <span class="nf">get_predicted_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||||
<span class="sd">"""Returns predicted dictionary of species concentrations</span>
|
||||
<span class="sd"> that xml parameters predicts given current in_moles</span>
|
||||
|
||||
@@ -1212,7 +1224,7 @@
|
||||
<span class="n">objective_values</span> <span class="o">=</span> <span class="n">objective_values</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
||||
<span class="k">return</span> <span class="n">objective_values</span>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.fit"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.fit">[docs]</a> <span class="k">def</span> <span class="nf">fit</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span>
|
||||
<div class="viewcode-block" id="LLEPE.fit"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.fit">[docs]</a> <span class="k">def</span> <span class="nf">fit</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span>
|
||||
<span class="n">objective_function</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span>
|
||||
<span class="n">optimizer</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span>
|
||||
<span class="n">objective_kwargs</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span>
|
||||
@@ -1255,7 +1267,7 @@
|
||||
|
||||
<span class="k">return</span> <span class="n">opt_dict</span><span class="p">,</span> <span class="n">obj_value</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.update_xml"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.update_xml">[docs]</a> <span class="k">def</span> <span class="nf">update_xml</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span>
|
||||
<div class="viewcode-block" id="LLEPE.update_xml"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.update_xml">[docs]</a> <span class="k">def</span> <span class="nf">update_xml</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span>
|
||||
<span class="n">info_dict</span><span class="p">,</span>
|
||||
<span class="n">phases_xml_filename</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span>
|
||||
<span class="n">dependant_params_dict</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
|
||||
@@ -1362,7 +1374,7 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">set_phases</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">_phases_xml_filename</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">_phase_names</span><span class="p">)</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.update_custom_objects_dict"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.update_custom_objects_dict">[docs]</a> <span class="k">def</span> <span class="nf">update_custom_objects_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">info_dict</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.update_custom_objects_dict"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.update_custom_objects_dict">[docs]</a> <span class="k">def</span> <span class="nf">update_custom_objects_dict</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">info_dict</span><span class="p">):</span>
|
||||
<span class="sd">"""</span>
|
||||
<span class="sd"> updates internal custom_objects_dict with info_dict</span>
|
||||
|
||||
@@ -1387,7 +1399,7 @@
|
||||
<span class="bp">self</span><span class="o">.</span><span class="n">_custom_objects_dict</span> <span class="o">=</span> <span class="n">custom_objects_dict</span>
|
||||
<span class="k">return</span> <span class="kc">None</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.parity_plot"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.parity_plot">[docs]</a> <span class="k">def</span> <span class="nf">parity_plot</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span>
|
||||
<div class="viewcode-block" id="LLEPE.parity_plot"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.parity_plot">[docs]</a> <span class="k">def</span> <span class="nf">parity_plot</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span>
|
||||
<span class="n">compared_value</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span>
|
||||
<span class="n">c_data</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span>
|
||||
<span class="n">c_label</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span>
|
||||
@@ -1496,7 +1508,9 @@
|
||||
<span class="n">filtered_meas</span> <span class="o">=</span> <span class="n">filtered_data</span><span class="p">[</span><span class="s1">'meas'</span><span class="p">]</span>
|
||||
<span class="n">filtered_pred</span> <span class="o">=</span> <span class="n">filtered_data</span><span class="p">[</span><span class="s1">'pred'</span><span class="p">]</span>
|
||||
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">filtered_pred</span><span class="p">)</span> <span class="o">!=</span> <span class="mi">0</span><span class="p">:</span>
|
||||
<span class="n">ax</span><span class="o">.</span><span class="n">scatter</span><span class="p">(</span><span class="n">filtered_meas</span><span class="p">,</span> <span class="n">filtered_pred</span><span class="p">,</span> <span class="n">label</span><span class="o">=</span><span class="n">label</span><span class="p">)</span>
|
||||
<span class="n">ax</span><span class="o">.</span><span class="n">scatter</span><span class="p">(</span><span class="n">filtered_meas</span><span class="p">,</span>
|
||||
<span class="n">filtered_pred</span><span class="p">,</span>
|
||||
<span class="n">label</span><span class="o">=</span><span class="n">label</span><span class="p">)</span>
|
||||
<span class="k">if</span> <span class="n">legend</span><span class="p">:</span>
|
||||
<span class="n">ax</span><span class="o">.</span><span class="n">legend</span><span class="p">(</span><span class="n">loc</span><span class="o">=</span><span class="s1">'best'</span><span class="p">)</span>
|
||||
|
||||
@@ -1531,7 +1545,7 @@
|
||||
<span class="n">plt</span><span class="o">.</span><span class="n">savefig</span><span class="p">(</span><span class="n">save_path</span><span class="p">,</span> <span class="n">bbox_inches</span><span class="o">=</span><span class="s1">'tight'</span><span class="p">)</span>
|
||||
<span class="k">return</span> <span class="n">fig</span><span class="p">,</span> <span class="n">ax</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.r_squared"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.r_squared">[docs]</a> <span class="k">def</span> <span class="nf">r_squared</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">compared_value</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
|
||||
<div class="viewcode-block" id="LLEPE.r_squared"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.r_squared">[docs]</a> <span class="k">def</span> <span class="nf">r_squared</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">compared_value</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
|
||||
<span class="sd">"""r-squared value comparing measured and predicted compared value</span>
|
||||
|
||||
<span class="sd"> Closer to 1, the better the model's predictions.</span>
|
||||
@@ -1571,7 +1585,7 @@
|
||||
<span class="n">r_2</span> <span class="o">=</span> <span class="p">(</span><span class="mi">1</span> <span class="o">-</span> <span class="n">num</span> <span class="o">/</span> <span class="n">den</span><span class="p">)</span>
|
||||
<span class="k">return</span> <span class="n">r_2</span></div>
|
||||
|
||||
<div class="viewcode-block" id="LLEPE.plot_3d_data"><a class="viewcode-back" href="../../modules/reeps.html#llepe.LLEPE.plot_3d_data">[docs]</a> <span class="nd">@staticmethod</span>
|
||||
<div class="viewcode-block" id="LLEPE.plot_3d_data"><a class="viewcode-back" href="../../modules/LLEPE.html#llepe.LLEPE.plot_3d_data">[docs]</a> <span class="nd">@staticmethod</span>
|
||||
<span class="k">def</span> <span class="nf">plot_3d_data</span><span class="p">(</span><span class="n">x_data</span><span class="p">,</span>
|
||||
<span class="n">y_data</span><span class="p">,</span>
|
||||
<span class="n">z_data</span><span class="p">,</span>
|
||||
@@ -1581,6 +1595,8 @@
|
||||
<span class="n">z_label</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span>
|
||||
<span class="n">c_label</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
|
||||
<span class="sd">"""</span>
|
||||
<span class="sd"> THis is for plotting 3d scatter plots.</span>
|
||||
<span class="sd"> We suggest use matplotlib's ax.scatter to make 3d plots.</span>
|
||||
|
||||
<span class="sd"> :param x_data: (list) list of data for x axis</span>
|
||||
<span class="sd"> :param y_data: (list) list of data for y axis</span>
|
||||
@@ -1631,7 +1647,7 @@
|
||||
|
||||
<div role="contentinfo">
|
||||
<p>
|
||||
© Copyright 2020, Titus Quah, Nwike Iloeje
|
||||
© Copyright 2020, UChicago Argonne, LLC.
|
||||
|
||||
</p>
|
||||
</div>
|
||||
|
||||
1735
docs/_build/html/_modules/reeps/reeps.html
vendored
1735
docs/_build/html/_modules/reeps/reeps.html
vendored
File diff suppressed because it is too large
Load Diff
61
docs/_build/html/_sources/guide/about.rst.txt
vendored
Normal file
61
docs/_build/html/_sources/guide/about.rst.txt
vendored
Normal file
@@ -0,0 +1,61 @@
|
||||
.. _about:
|
||||
|
||||
************
|
||||
About
|
||||
************
|
||||
|
||||
Authors
|
||||
=============
|
||||
Titus Quah, University of Utah, <titus{dot}quah{at}gmail{dot}com>
|
||||
|
||||
Nwike Iloeje, Argonne National Laboratory, <ciloeje{at}anl{dot}gov>
|
||||
|
||||
Acknowledgements
|
||||
================
|
||||
Based upon work supported by funding from Argonne National Laboratory provided by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE), under contract DE-AC02-06CH11357
|
||||
|
||||
References
|
||||
==========
|
||||
|
||||
If you use LLEPE in your research , we kindly request that you cite the package as follows:
|
||||
|
||||
T. Quah and C. O. Iloeje, “Liquid--Liquid Extraction Thermodynamic Parameter Estimator (LLEPE) for Multicomponent Separation Systems,” in Materials Processing Fundamentals 2021, 2021, pp. 107–120, doi: https://doi.org/10.1007/978-3-030-65253-1_9.
|
||||
|
||||
License
|
||||
=======
|
||||
|
||||
::
|
||||
|
||||
Copyright © 2020, UChicago Argonne, LLC
|
||||
All Rights Reserved
|
||||
Software Name: LLEPE
|
||||
By: Argonne National Laboratory, University of Utah
|
||||
OPEN SOURCE LICENSE
|
||||
|
||||
Redistribution and use in source and binary forms, with or without
|
||||
modification, are permitted provided that the following conditions are met:
|
||||
|
||||
1. Redistributions of source code must retain the above copyright notice,
|
||||
this list of conditions and the following disclaimer.
|
||||
2. Redistributions in binary form must reproduce the above copyright notice,
|
||||
this list of conditions and the following disclaimer in the documentation
|
||||
and/or other materials provided with the distribution.
|
||||
3. Neither the name of the copyright holder nor the names of its contributors
|
||||
may be used to endorse or promote products derived from this software without
|
||||
specific prior written permission.
|
||||
|
||||
|
||||
******************************************************************************************************
|
||||
DISCLAIMER
|
||||
|
||||
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
|
||||
AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
|
||||
WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED.
|
||||
IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT,
|
||||
INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT
|
||||
NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA,
|
||||
OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
|
||||
WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE)
|
||||
ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY
|
||||
OF SUCH DAMAGE.
|
||||
***************************************************************************************************
|
||||
@@ -24,17 +24,17 @@ To install the latest master version:
|
||||
|
||||
.. code-block:: bash
|
||||
|
||||
pip install git+https://xgitlab.cels.anl.gov/summer-2020/parameter-estimation.git
|
||||
pip install git+https://github.com/ANL-CEEESA/LLEPE.git
|
||||
|
||||
|
||||
Development version
|
||||
===================
|
||||
|
||||
To contribute to Stable-Baselines, with support for running tests and building the documentation.
|
||||
To contribute to LLEPE, with support for running tests and building the documentation.
|
||||
|
||||
.. code-block:: bash
|
||||
|
||||
git clone https://xgitlab.cels.anl.gov/summer-2020/parameter-estimation.git && cd parameter-estimation
|
||||
git clone https://github.com/ANL-CEEESA/LLEPE.git
|
||||
pip install -e .[docs,tests]
|
||||
|
||||
|
||||
|
||||
12
docs/_build/html/_sources/index.rst.txt
vendored
12
docs/_build/html/_sources/index.rst.txt
vendored
@@ -1,9 +1,8 @@
|
||||
.. reeps documentation master file, created by Titus Quah
|
||||
sphinx-quickstart on Tue Jun 9 10:13:23 2020.
|
||||
You can adapt this file completely to your liking, but it should at least
|
||||
contain the root `toctree` directive.
|
||||
.. LLEPE: Liquid-Liquid Equilibrium Parameter Estimator
|
||||
Copyright (C) 2020, UChicago Argonne, LLC. All rights reserved.
|
||||
Released under the modified BSD license. See LICENSE for more details.
|
||||
|
||||
Welcome to llepe's docs! - the Liquid-Liquid Extraction Parameter Estimator
|
||||
Welcome to LLEPE's docs! - the Liquid-Liquid Extraction Parameter Estimator
|
||||
===========================================================================
|
||||
LLEPE is a package for thermodynamic parameter estimation for liquid-liquid extraction modeling
|
||||
|
||||
@@ -19,12 +18,13 @@ Error between predicted and experimental data is then minimized.
|
||||
|
||||
guide/install
|
||||
guide/quickstart
|
||||
guide/about
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 1
|
||||
:caption: Searchers
|
||||
|
||||
modules/reeps
|
||||
modules/LLEPE
|
||||
|
||||
|
||||
|
||||
|
||||
15
docs/_build/html/_sources/modules/LLEPE.rst.txt
vendored
Normal file
15
docs/_build/html/_sources/modules/LLEPE.rst.txt
vendored
Normal file
@@ -0,0 +1,15 @@
|
||||
.. _LLEPE:
|
||||
|
||||
.. automodule:: llepe
|
||||
|
||||
LLEPE
|
||||
=====
|
||||
|
||||
|
||||
|
||||
Parameters
|
||||
----------
|
||||
|
||||
.. autoclass:: LLEPE
|
||||
:members:
|
||||
:inherited-members:
|
||||
@@ -1,4 +1,4 @@
|
||||
.. _reeps:
|
||||
.. _LLEPE:
|
||||
|
||||
.. automodule:: llepe
|
||||
|
||||
|
||||
701
docs/_build/html/_static/alabaster.css
vendored
701
docs/_build/html/_static/alabaster.css
vendored
@@ -1,701 +0,0 @@
|
||||
@import url("basic.css");
|
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|
||||
/* -- page layout ----------------------------------------------------------- */
|
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|
||||
body {
|
||||
font-family: Georgia, serif;
|
||||
font-size: 17px;
|
||||
background-color: #fff;
|
||||
color: #000;
|
||||
margin: 0;
|
||||
padding: 0;
|
||||
}
|
||||
|
||||
|
||||
div.document {
|
||||
width: 940px;
|
||||
margin: 30px auto 0 auto;
|
||||
}
|
||||
|
||||
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|
||||
float: left;
|
||||
width: 100%;
|
||||
}
|
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|
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|
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|
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border: 1px solid #B1B4B6;
|
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|
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|
||||
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|
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|
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|
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|
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div.body > .section {
|
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|
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|
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|
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|
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|
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|
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|
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|
||||
div.hint {
|
||||
background-color: #EEE;
|
||||
border: 1px solid #CCC;
|
||||
}
|
||||
|
||||
div.seealso {
|
||||
background-color: #EEE;
|
||||
border: 1px solid #CCC;
|
||||
}
|
||||
|
||||
div.topic {
|
||||
background-color: #EEE;
|
||||
}
|
||||
|
||||
p.admonition-title {
|
||||
display: inline;
|
||||
}
|
||||
|
||||
p.admonition-title:after {
|
||||
content: ":";
|
||||
}
|
||||
|
||||
pre, tt, code {
|
||||
font-family: 'Consolas', 'Menlo', 'DejaVu Sans Mono', 'Bitstream Vera Sans Mono', monospace;
|
||||
font-size: 0.9em;
|
||||
}
|
||||
|
||||
.hll {
|
||||
background-color: #FFC;
|
||||
margin: 0 -12px;
|
||||
padding: 0 12px;
|
||||
display: block;
|
||||
}
|
||||
|
||||
img.screenshot {
|
||||
}
|
||||
|
||||
tt.descname, tt.descclassname, code.descname, code.descclassname {
|
||||
font-size: 0.95em;
|
||||
}
|
||||
|
||||
tt.descname, code.descname {
|
||||
padding-right: 0.08em;
|
||||
}
|
||||
|
||||
img.screenshot {
|
||||
-moz-box-shadow: 2px 2px 4px #EEE;
|
||||
-webkit-box-shadow: 2px 2px 4px #EEE;
|
||||
box-shadow: 2px 2px 4px #EEE;
|
||||
}
|
||||
|
||||
table.docutils {
|
||||
border: 1px solid #888;
|
||||
-moz-box-shadow: 2px 2px 4px #EEE;
|
||||
-webkit-box-shadow: 2px 2px 4px #EEE;
|
||||
box-shadow: 2px 2px 4px #EEE;
|
||||
}
|
||||
|
||||
table.docutils td, table.docutils th {
|
||||
border: 1px solid #888;
|
||||
padding: 0.25em 0.7em;
|
||||
}
|
||||
|
||||
table.field-list, table.footnote {
|
||||
border: none;
|
||||
-moz-box-shadow: none;
|
||||
-webkit-box-shadow: none;
|
||||
box-shadow: none;
|
||||
}
|
||||
|
||||
table.footnote {
|
||||
margin: 15px 0;
|
||||
width: 100%;
|
||||
border: 1px solid #EEE;
|
||||
background: #FDFDFD;
|
||||
font-size: 0.9em;
|
||||
}
|
||||
|
||||
table.footnote + table.footnote {
|
||||
margin-top: -15px;
|
||||
border-top: none;
|
||||
}
|
||||
|
||||
table.field-list th {
|
||||
padding: 0 0.8em 0 0;
|
||||
}
|
||||
|
||||
table.field-list td {
|
||||
padding: 0;
|
||||
}
|
||||
|
||||
table.field-list p {
|
||||
margin-bottom: 0.8em;
|
||||
}
|
||||
|
||||
/* Cloned from
|
||||
* https://github.com/sphinx-doc/sphinx/commit/ef60dbfce09286b20b7385333d63a60321784e68
|
||||
*/
|
||||
.field-name {
|
||||
-moz-hyphens: manual;
|
||||
-ms-hyphens: manual;
|
||||
-webkit-hyphens: manual;
|
||||
hyphens: manual;
|
||||
}
|
||||
|
||||
table.footnote td.label {
|
||||
width: .1px;
|
||||
padding: 0.3em 0 0.3em 0.5em;
|
||||
}
|
||||
|
||||
table.footnote td {
|
||||
padding: 0.3em 0.5em;
|
||||
}
|
||||
|
||||
dl {
|
||||
margin: 0;
|
||||
padding: 0;
|
||||
}
|
||||
|
||||
dl dd {
|
||||
margin-left: 30px;
|
||||
}
|
||||
|
||||
blockquote {
|
||||
margin: 0 0 0 30px;
|
||||
padding: 0;
|
||||
}
|
||||
|
||||
ul, ol {
|
||||
/* Matches the 30px from the narrow-screen "li > ul" selector below */
|
||||
margin: 10px 0 10px 30px;
|
||||
padding: 0;
|
||||
}
|
||||
|
||||
pre {
|
||||
background: #EEE;
|
||||
padding: 7px 30px;
|
||||
margin: 15px 0px;
|
||||
line-height: 1.3em;
|
||||
}
|
||||
|
||||
div.viewcode-block:target {
|
||||
background: #ffd;
|
||||
}
|
||||
|
||||
dl pre, blockquote pre, li pre {
|
||||
margin-left: 0;
|
||||
padding-left: 30px;
|
||||
}
|
||||
|
||||
tt, code {
|
||||
background-color: #ecf0f3;
|
||||
color: #222;
|
||||
/* padding: 1px 2px; */
|
||||
}
|
||||
|
||||
tt.xref, code.xref, a tt {
|
||||
background-color: #FBFBFB;
|
||||
border-bottom: 1px solid #fff;
|
||||
}
|
||||
|
||||
a.reference {
|
||||
text-decoration: none;
|
||||
border-bottom: 1px dotted #004B6B;
|
||||
}
|
||||
|
||||
/* Don't put an underline on images */
|
||||
a.image-reference, a.image-reference:hover {
|
||||
border-bottom: none;
|
||||
}
|
||||
|
||||
a.reference:hover {
|
||||
border-bottom: 1px solid #6D4100;
|
||||
}
|
||||
|
||||
a.footnote-reference {
|
||||
text-decoration: none;
|
||||
font-size: 0.7em;
|
||||
vertical-align: top;
|
||||
border-bottom: 1px dotted #004B6B;
|
||||
}
|
||||
|
||||
a.footnote-reference:hover {
|
||||
border-bottom: 1px solid #6D4100;
|
||||
}
|
||||
|
||||
a:hover tt, a:hover code {
|
||||
background: #EEE;
|
||||
}
|
||||
|
||||
|
||||
@media screen and (max-width: 870px) {
|
||||
|
||||
div.sphinxsidebar {
|
||||
display: none;
|
||||
}
|
||||
|
||||
div.document {
|
||||
width: 100%;
|
||||
|
||||
}
|
||||
|
||||
div.documentwrapper {
|
||||
margin-left: 0;
|
||||
margin-top: 0;
|
||||
margin-right: 0;
|
||||
margin-bottom: 0;
|
||||
}
|
||||
|
||||
div.bodywrapper {
|
||||
margin-top: 0;
|
||||
margin-right: 0;
|
||||
margin-bottom: 0;
|
||||
margin-left: 0;
|
||||
}
|
||||
|
||||
ul {
|
||||
margin-left: 0;
|
||||
}
|
||||
|
||||
li > ul {
|
||||
/* Matches the 30px from the "ul, ol" selector above */
|
||||
margin-left: 30px;
|
||||
}
|
||||
|
||||
.document {
|
||||
width: auto;
|
||||
}
|
||||
|
||||
.footer {
|
||||
width: auto;
|
||||
}
|
||||
|
||||
.bodywrapper {
|
||||
margin: 0;
|
||||
}
|
||||
|
||||
.footer {
|
||||
width: auto;
|
||||
}
|
||||
|
||||
.github {
|
||||
display: none;
|
||||
}
|
||||
|
||||
|
||||
|
||||
}
|
||||
|
||||
|
||||
|
||||
@media screen and (max-width: 875px) {
|
||||
|
||||
body {
|
||||
margin: 0;
|
||||
padding: 20px 30px;
|
||||
}
|
||||
|
||||
div.documentwrapper {
|
||||
float: none;
|
||||
background: #fff;
|
||||
}
|
||||
|
||||
div.sphinxsidebar {
|
||||
display: block;
|
||||
float: none;
|
||||
width: 102.5%;
|
||||
margin: 50px -30px -20px -30px;
|
||||
padding: 10px 20px;
|
||||
background: #333;
|
||||
color: #FFF;
|
||||
}
|
||||
|
||||
div.sphinxsidebar h3, div.sphinxsidebar h4, div.sphinxsidebar p,
|
||||
div.sphinxsidebar h3 a {
|
||||
color: #fff;
|
||||
}
|
||||
|
||||
div.sphinxsidebar a {
|
||||
color: #AAA;
|
||||
}
|
||||
|
||||
div.sphinxsidebar p.logo {
|
||||
display: none;
|
||||
}
|
||||
|
||||
div.document {
|
||||
width: 100%;
|
||||
margin: 0;
|
||||
}
|
||||
|
||||
div.footer {
|
||||
display: none;
|
||||
}
|
||||
|
||||
div.bodywrapper {
|
||||
margin: 0;
|
||||
}
|
||||
|
||||
div.body {
|
||||
min-height: 0;
|
||||
padding: 0;
|
||||
}
|
||||
|
||||
.rtd_doc_footer {
|
||||
display: none;
|
||||
}
|
||||
|
||||
.document {
|
||||
width: auto;
|
||||
}
|
||||
|
||||
.footer {
|
||||
width: auto;
|
||||
}
|
||||
|
||||
.footer {
|
||||
width: auto;
|
||||
}
|
||||
|
||||
.github {
|
||||
display: none;
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
/* misc. */
|
||||
|
||||
.revsys-inline {
|
||||
display: none!important;
|
||||
}
|
||||
|
||||
/* Make nested-list/multi-paragraph items look better in Releases changelog
|
||||
* pages. Without this, docutils' magical list fuckery causes inconsistent
|
||||
* formatting between different release sub-lists.
|
||||
*/
|
||||
div#changelog > div.section > ul > li > p:only-child {
|
||||
margin-bottom: 0;
|
||||
}
|
||||
|
||||
/* Hide fugly table cell borders in ..bibliography:: directive output */
|
||||
table.docutils.citation, table.docutils.citation td, table.docutils.citation th {
|
||||
border: none;
|
||||
/* Below needed in some edge cases; if not applied, bottom shadows appear */
|
||||
-moz-box-shadow: none;
|
||||
-webkit-box-shadow: none;
|
||||
box-shadow: none;
|
||||
}
|
||||
|
||||
|
||||
/* relbar */
|
||||
|
||||
.related {
|
||||
line-height: 30px;
|
||||
width: 100%;
|
||||
font-size: 0.9rem;
|
||||
}
|
||||
|
||||
.related.top {
|
||||
border-bottom: 1px solid #EEE;
|
||||
margin-bottom: 20px;
|
||||
}
|
||||
|
||||
.related.bottom {
|
||||
border-top: 1px solid #EEE;
|
||||
}
|
||||
|
||||
.related ul {
|
||||
padding: 0;
|
||||
margin: 0;
|
||||
list-style: none;
|
||||
}
|
||||
|
||||
.related li {
|
||||
display: inline;
|
||||
}
|
||||
|
||||
nav#rellinks {
|
||||
float: right;
|
||||
}
|
||||
|
||||
nav#rellinks li+li:before {
|
||||
content: "|";
|
||||
}
|
||||
|
||||
nav#breadcrumbs li+li:before {
|
||||
content: "\00BB";
|
||||
}
|
||||
|
||||
/* Hide certain items when printing */
|
||||
@media print {
|
||||
div.related {
|
||||
display: none;
|
||||
}
|
||||
}
|
||||
266
docs/_build/html/_static/classic.css
vendored
266
docs/_build/html/_static/classic.css
vendored
@@ -1,266 +0,0 @@
|
||||
/*
|
||||
* classic.css_t
|
||||
* ~~~~~~~~~~~~~
|
||||
*
|
||||
* Sphinx stylesheet -- classic theme.
|
||||
*
|
||||
* :copyright: Copyright 2007-2020 by the Sphinx team, see AUTHORS.
|
||||
* :license: BSD, see LICENSE for details.
|
||||
*
|
||||
*/
|
||||
|
||||
@import url("basic.css");
|
||||
|
||||
/* -- page layout ----------------------------------------------------------- */
|
||||
|
||||
html {
|
||||
/* CSS hack for macOS's scrollbar (see #1125) */
|
||||
background-color: #FFFFFF;
|
||||
}
|
||||
|
||||
body {
|
||||
font-family: sans-serif;
|
||||
font-size: 100%;
|
||||
background-color: #11303d;
|
||||
color: #000;
|
||||
margin: 0;
|
||||
padding: 0;
|
||||
}
|
||||
|
||||
div.document {
|
||||
background-color: #1c4e63;
|
||||
}
|
||||
|
||||
div.documentwrapper {
|
||||
float: left;
|
||||
width: 100%;
|
||||
}
|
||||
|
||||
div.bodywrapper {
|
||||
margin: 0 0 0 230px;
|
||||
}
|
||||
|
||||
div.body {
|
||||
background-color: #ffffff;
|
||||
color: #000000;
|
||||
padding: 0 20px 30px 20px;
|
||||
}
|
||||
|
||||
div.footer {
|
||||
color: #ffffff;
|
||||
width: 100%;
|
||||
padding: 9px 0 9px 0;
|
||||
text-align: center;
|
||||
font-size: 75%;
|
||||
}
|
||||
|
||||
div.footer a {
|
||||
color: #ffffff;
|
||||
text-decoration: underline;
|
||||
}
|
||||
|
||||
div.related {
|
||||
background-color: #133f52;
|
||||
line-height: 30px;
|
||||
color: #ffffff;
|
||||
}
|
||||
|
||||
div.related a {
|
||||
color: #ffffff;
|
||||
}
|
||||
|
||||
div.sphinxsidebar {
|
||||
}
|
||||
|
||||
div.sphinxsidebar h3 {
|
||||
font-family: 'Trebuchet MS', sans-serif;
|
||||
color: #ffffff;
|
||||
font-size: 1.4em;
|
||||
font-weight: normal;
|
||||
margin: 0;
|
||||
padding: 0;
|
||||
}
|
||||
|
||||
div.sphinxsidebar h3 a {
|
||||
color: #ffffff;
|
||||
}
|
||||
|
||||
div.sphinxsidebar h4 {
|
||||
font-family: 'Trebuchet MS', sans-serif;
|
||||
color: #ffffff;
|
||||
font-size: 1.3em;
|
||||
font-weight: normal;
|
||||
margin: 5px 0 0 0;
|
||||
padding: 0;
|
||||
}
|
||||
|
||||
div.sphinxsidebar p {
|
||||
color: #ffffff;
|
||||
}
|
||||
|
||||
div.sphinxsidebar p.topless {
|
||||
margin: 5px 10px 10px 10px;
|
||||
}
|
||||
|
||||
div.sphinxsidebar ul {
|
||||
margin: 10px;
|
||||
padding: 0;
|
||||
color: #ffffff;
|
||||
}
|
||||
|
||||
div.sphinxsidebar a {
|
||||
color: #98dbcc;
|
||||
}
|
||||
|
||||
div.sphinxsidebar input {
|
||||
border: 1px solid #98dbcc;
|
||||
font-family: sans-serif;
|
||||
font-size: 1em;
|
||||
}
|
||||
|
||||
|
||||
|
||||
/* -- hyperlink styles ------------------------------------------------------ */
|
||||
|
||||
a {
|
||||
color: #355f7c;
|
||||
text-decoration: none;
|
||||
}
|
||||
|
||||
a:visited {
|
||||
color: #355f7c;
|
||||
text-decoration: none;
|
||||
}
|
||||
|
||||
a:hover {
|
||||
text-decoration: underline;
|
||||
}
|
||||
|
||||
|
||||
|
||||
/* -- body styles ----------------------------------------------------------- */
|
||||
|
||||
div.body h1,
|
||||
div.body h2,
|
||||
div.body h3,
|
||||
div.body h4,
|
||||
div.body h5,
|
||||
div.body h6 {
|
||||
font-family: 'Trebuchet MS', sans-serif;
|
||||
background-color: #f2f2f2;
|
||||
font-weight: normal;
|
||||
color: #20435c;
|
||||
border-bottom: 1px solid #ccc;
|
||||
margin: 20px -20px 10px -20px;
|
||||
padding: 3px 0 3px 10px;
|
||||
}
|
||||
|
||||
div.body h1 { margin-top: 0; font-size: 200%; }
|
||||
div.body h2 { font-size: 160%; }
|
||||
div.body h3 { font-size: 140%; }
|
||||
div.body h4 { font-size: 120%; }
|
||||
div.body h5 { font-size: 110%; }
|
||||
div.body h6 { font-size: 100%; }
|
||||
|
||||
a.headerlink {
|
||||
color: #c60f0f;
|
||||
font-size: 0.8em;
|
||||
padding: 0 4px 0 4px;
|
||||
text-decoration: none;
|
||||
}
|
||||
|
||||
a.headerlink:hover {
|
||||
background-color: #c60f0f;
|
||||
color: white;
|
||||
}
|
||||
|
||||
div.body p, div.body dd, div.body li, div.body blockquote {
|
||||
text-align: justify;
|
||||
line-height: 130%;
|
||||
}
|
||||
|
||||
div.admonition p.admonition-title + p {
|
||||
display: inline;
|
||||
}
|
||||
|
||||
div.admonition p {
|
||||
margin-bottom: 5px;
|
||||
}
|
||||
|
||||
div.admonition pre {
|
||||
margin-bottom: 5px;
|
||||
}
|
||||
|
||||
div.admonition ul, div.admonition ol {
|
||||
margin-bottom: 5px;
|
||||
}
|
||||
|
||||
div.note {
|
||||
background-color: #eee;
|
||||
border: 1px solid #ccc;
|
||||
}
|
||||
|
||||
div.seealso {
|
||||
background-color: #ffc;
|
||||
border: 1px solid #ff6;
|
||||
}
|
||||
|
||||
div.topic {
|
||||
background-color: #eee;
|
||||
}
|
||||
|
||||
div.warning {
|
||||
background-color: #ffe4e4;
|
||||
border: 1px solid #f66;
|
||||
}
|
||||
|
||||
p.admonition-title {
|
||||
display: inline;
|
||||
}
|
||||
|
||||
p.admonition-title:after {
|
||||
content: ":";
|
||||
}
|
||||
|
||||
pre {
|
||||
padding: 5px;
|
||||
background-color: #eeffcc;
|
||||
color: #333333;
|
||||
line-height: 120%;
|
||||
border: 1px solid #ac9;
|
||||
border-left: none;
|
||||
border-right: none;
|
||||
}
|
||||
|
||||
code {
|
||||
background-color: #ecf0f3;
|
||||
padding: 0 1px 0 1px;
|
||||
font-size: 0.95em;
|
||||
}
|
||||
|
||||
th, dl.field-list > dt {
|
||||
background-color: #ede;
|
||||
}
|
||||
|
||||
.warning code {
|
||||
background: #efc2c2;
|
||||
}
|
||||
|
||||
.note code {
|
||||
background: #d6d6d6;
|
||||
}
|
||||
|
||||
.viewcode-back {
|
||||
font-family: sans-serif;
|
||||
}
|
||||
|
||||
div.viewcode-block:target {
|
||||
background-color: #f4debf;
|
||||
border-top: 1px solid #ac9;
|
||||
border-bottom: 1px solid #ac9;
|
||||
}
|
||||
|
||||
div.code-block-caption {
|
||||
color: #efefef;
|
||||
background-color: #1c4e63;
|
||||
}
|
||||
1
docs/_build/html/_static/custom.css
vendored
1
docs/_build/html/_static/custom.css
vendored
@@ -1 +0,0 @@
|
||||
/* This file intentionally left blank. */
|
||||
1
docs/_build/html/_static/default.css
vendored
1
docs/_build/html/_static/default.css
vendored
@@ -1 +0,0 @@
|
||||
@import url("classic.css");
|
||||
159
docs/_build/html/_static/sidebar.js
vendored
159
docs/_build/html/_static/sidebar.js
vendored
@@ -1,159 +0,0 @@
|
||||
/*
|
||||
* sidebar.js
|
||||
* ~~~~~~~~~~
|
||||
*
|
||||
* This script makes the Sphinx sidebar collapsible.
|
||||
*
|
||||
* .sphinxsidebar contains .sphinxsidebarwrapper. This script adds
|
||||
* in .sphixsidebar, after .sphinxsidebarwrapper, the #sidebarbutton
|
||||
* used to collapse and expand the sidebar.
|
||||
*
|
||||
* When the sidebar is collapsed the .sphinxsidebarwrapper is hidden
|
||||
* and the width of the sidebar and the margin-left of the document
|
||||
* are decreased. When the sidebar is expanded the opposite happens.
|
||||
* This script saves a per-browser/per-session cookie used to
|
||||
* remember the position of the sidebar among the pages.
|
||||
* Once the browser is closed the cookie is deleted and the position
|
||||
* reset to the default (expanded).
|
||||
*
|
||||
* :copyright: Copyright 2007-2020 by the Sphinx team, see AUTHORS.
|
||||
* :license: BSD, see LICENSE for details.
|
||||
*
|
||||
*/
|
||||
|
||||
$(function() {
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
// global elements used by the functions.
|
||||
// the 'sidebarbutton' element is defined as global after its
|
||||
// creation, in the add_sidebar_button function
|
||||
var bodywrapper = $('.bodywrapper');
|
||||
var sidebar = $('.sphinxsidebar');
|
||||
var sidebarwrapper = $('.sphinxsidebarwrapper');
|
||||
|
||||
// for some reason, the document has no sidebar; do not run into errors
|
||||
if (!sidebar.length) return;
|
||||
|
||||
// original margin-left of the bodywrapper and width of the sidebar
|
||||
// with the sidebar expanded
|
||||
var bw_margin_expanded = bodywrapper.css('margin-left');
|
||||
var ssb_width_expanded = sidebar.width();
|
||||
|
||||
// margin-left of the bodywrapper and width of the sidebar
|
||||
// with the sidebar collapsed
|
||||
var bw_margin_collapsed = '.8em';
|
||||
var ssb_width_collapsed = '.8em';
|
||||
|
||||
// colors used by the current theme
|
||||
var dark_color = $('.related').css('background-color');
|
||||
var light_color = $('.document').css('background-color');
|
||||
|
||||
function sidebar_is_collapsed() {
|
||||
return sidebarwrapper.is(':not(:visible)');
|
||||
}
|
||||
|
||||
function toggle_sidebar() {
|
||||
if (sidebar_is_collapsed())
|
||||
expand_sidebar();
|
||||
else
|
||||
collapse_sidebar();
|
||||
}
|
||||
|
||||
function collapse_sidebar() {
|
||||
sidebarwrapper.hide();
|
||||
sidebar.css('width', ssb_width_collapsed);
|
||||
bodywrapper.css('margin-left', bw_margin_collapsed);
|
||||
sidebarbutton.css({
|
||||
'margin-left': '0',
|
||||
'height': bodywrapper.height()
|
||||
});
|
||||
sidebarbutton.find('span').text('»');
|
||||
sidebarbutton.attr('title', _('Expand sidebar'));
|
||||
document.cookie = 'sidebar=collapsed';
|
||||
}
|
||||
|
||||
function expand_sidebar() {
|
||||
bodywrapper.css('margin-left', bw_margin_expanded);
|
||||
sidebar.css('width', ssb_width_expanded);
|
||||
sidebarwrapper.show();
|
||||
sidebarbutton.css({
|
||||
'margin-left': ssb_width_expanded-12,
|
||||
'height': bodywrapper.height()
|
||||
});
|
||||
sidebarbutton.find('span').text('«');
|
||||
sidebarbutton.attr('title', _('Collapse sidebar'));
|
||||
document.cookie = 'sidebar=expanded';
|
||||
}
|
||||
|
||||
function add_sidebar_button() {
|
||||
sidebarwrapper.css({
|
||||
'float': 'left',
|
||||
'margin-right': '0',
|
||||
'width': ssb_width_expanded - 28
|
||||
});
|
||||
// create the button
|
||||
sidebar.append(
|
||||
'<div id="sidebarbutton"><span>«</span></div>'
|
||||
);
|
||||
var sidebarbutton = $('#sidebarbutton');
|
||||
light_color = sidebarbutton.css('background-color');
|
||||
// find the height of the viewport to center the '<<' in the page
|
||||
var viewport_height;
|
||||
if (window.innerHeight)
|
||||
viewport_height = window.innerHeight;
|
||||
else
|
||||
viewport_height = $(window).height();
|
||||
sidebarbutton.find('span').css({
|
||||
'display': 'block',
|
||||
'margin-top': (viewport_height - sidebar.position().top - 20) / 2
|
||||
});
|
||||
|
||||
sidebarbutton.click(toggle_sidebar);
|
||||
sidebarbutton.attr('title', _('Collapse sidebar'));
|
||||
sidebarbutton.css({
|
||||
'color': '#FFFFFF',
|
||||
'border-left': '1px solid ' + dark_color,
|
||||
'font-size': '1.2em',
|
||||
'cursor': 'pointer',
|
||||
'height': bodywrapper.height(),
|
||||
'padding-top': '1px',
|
||||
'margin-left': ssb_width_expanded - 12
|
||||
});
|
||||
|
||||
sidebarbutton.hover(
|
||||
function () {
|
||||
$(this).css('background-color', dark_color);
|
||||
},
|
||||
function () {
|
||||
$(this).css('background-color', light_color);
|
||||
}
|
||||
);
|
||||
}
|
||||
|
||||
function set_position_from_cookie() {
|
||||
if (!document.cookie)
|
||||
return;
|
||||
var items = document.cookie.split(';');
|
||||
for(var k=0; k<items.length; k++) {
|
||||
var key_val = items[k].split('=');
|
||||
var key = key_val[0].replace(/ /, ""); // strip leading spaces
|
||||
if (key == 'sidebar') {
|
||||
var value = key_val[1];
|
||||
if ((value == 'collapsed') && (!sidebar_is_collapsed()))
|
||||
collapse_sidebar();
|
||||
else if ((value == 'expanded') && (sidebar_is_collapsed()))
|
||||
expand_sidebar();
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
add_sidebar_button();
|
||||
var sidebarbutton = $('#sidebarbutton');
|
||||
set_position_from_cookie();
|
||||
});
|
||||
103
docs/_build/html/genindex.html
vendored
103
docs/_build/html/genindex.html
vendored
@@ -86,10 +86,11 @@
|
||||
<ul>
|
||||
<li class="toctree-l1"><a class="reference internal" href="guide/install.html">Installation</a></li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="guide/quickstart.html">Getting Started</a></li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="guide/about.html">About</a></li>
|
||||
</ul>
|
||||
<p class="caption"><span class="caption-text">Searchers</span></p>
|
||||
<ul>
|
||||
<li class="toctree-l1"><a class="reference internal" href="modules/reeps.html">LLEPE</a></li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="modules/LLEPE.html">LLEPE</a></li>
|
||||
</ul>
|
||||
|
||||
|
||||
@@ -169,7 +170,7 @@
|
||||
<h2 id="F">F</h2>
|
||||
<table style="width: 100%" class="indextable genindextable"><tr>
|
||||
<td style="width: 33%; vertical-align: top;"><ul>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.fit">fit() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.fit">fit() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
</ul></td>
|
||||
</tr></table>
|
||||
@@ -177,45 +178,45 @@
|
||||
<h2 id="G">G</h2>
|
||||
<table style="width: 100%" class="indextable genindextable"><tr>
|
||||
<td style="width: 33%; vertical-align: top;"><ul>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_aq_solvent_name">get_aq_solvent_name() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_aq_solvent_name">get_aq_solvent_name() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_aq_solvent_rho">get_aq_solvent_rho() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_aq_solvent_rho">get_aq_solvent_rho() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_complex_names">get_complex_names() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_complex_names">get_complex_names() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_custom_objects_dict">get_custom_objects_dict() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_custom_objects_dict">get_custom_objects_dict() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_dependant_params_dict">get_dependant_params_dict() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_dependant_params_dict">get_dependant_params_dict() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_diluant_name">get_diluant_name() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_diluant_name">get_diluant_name() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_diluant_rho">get_diluant_rho() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_diluant_rho">get_diluant_rho() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_exp_df">get_exp_df() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_exp_df">get_exp_df() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_extractant_name">get_extractant_name() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_extractant_name">get_extractant_name() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
</ul></td>
|
||||
<td style="width: 33%; vertical-align: top;"><ul>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_extractant_rho">get_extractant_rho() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_extractant_rho">get_extractant_rho() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_extracted_species_ion_names">get_extracted_species_ion_names() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_extracted_species_ion_names">get_extracted_species_ion_names() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_extracted_species_list">get_extracted_species_list() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_extracted_species_list">get_extracted_species_list() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_in_moles">get_in_moles() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_in_moles">get_in_moles() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_objective_function">get_objective_function() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_objective_function">get_objective_function() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_opt_dict">get_opt_dict() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_opt_dict">get_opt_dict() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_optimizer">get_optimizer() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_optimizer">get_optimizer() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_phases">get_phases() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_phases">get_phases() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_predicted_dict">get_predicted_dict() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_predicted_dict">get_predicted_dict() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.get_temp_xml_file_path">get_temp_xml_file_path() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_temp_xml_file_path">get_temp_xml_file_path() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
</ul></td>
|
||||
</tr></table>
|
||||
@@ -227,14 +228,14 @@
|
||||
llepe
|
||||
|
||||
<ul>
|
||||
<li><a href="modules/reeps.html#module-llepe">module</a>
|
||||
<li><a href="modules/LLEPE.html#module-llepe">module</a>
|
||||
</li>
|
||||
</ul></li>
|
||||
</ul></td>
|
||||
<td style="width: 33%; vertical-align: top;"><ul>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE">LLEPE (class in llepe)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE">LLEPE (class in llepe)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.log_mean_squared_error">log_mean_squared_error() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.log_mean_squared_error">log_mean_squared_error() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
</ul></td>
|
||||
</tr></table>
|
||||
@@ -246,7 +247,7 @@
|
||||
module
|
||||
|
||||
<ul>
|
||||
<li><a href="modules/reeps.html#module-llepe">llepe</a>
|
||||
<li><a href="modules/LLEPE.html#module-llepe">llepe</a>
|
||||
</li>
|
||||
</ul></li>
|
||||
</ul></td>
|
||||
@@ -255,11 +256,11 @@
|
||||
<h2 id="P">P</h2>
|
||||
<table style="width: 100%" class="indextable genindextable"><tr>
|
||||
<td style="width: 33%; vertical-align: top;"><ul>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.parity_plot">parity_plot() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.parity_plot">parity_plot() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
</ul></td>
|
||||
<td style="width: 33%; vertical-align: top;"><ul>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.plot_3d_data">plot_3d_data() (llepe.LLEPE static method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.plot_3d_data">plot_3d_data() (llepe.LLEPE static method)</a>
|
||||
</li>
|
||||
</ul></td>
|
||||
</tr></table>
|
||||
@@ -267,7 +268,7 @@
|
||||
<h2 id="R">R</h2>
|
||||
<table style="width: 100%" class="indextable genindextable"><tr>
|
||||
<td style="width: 33%; vertical-align: top;"><ul>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.r_squared">r_squared() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.r_squared">r_squared() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
</ul></td>
|
||||
</tr></table>
|
||||
@@ -275,45 +276,45 @@
|
||||
<h2 id="S">S</h2>
|
||||
<table style="width: 100%" class="indextable genindextable"><tr>
|
||||
<td style="width: 33%; vertical-align: top;"><ul>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.scipy_minimize">scipy_minimize() (llepe.LLEPE static method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.scipy_minimize">scipy_minimize() (llepe.LLEPE static method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_aq_solvent_name">set_aq_solvent_name() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_aq_solvent_name">set_aq_solvent_name() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_aq_solvent_rho">set_aq_solvent_rho() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_aq_solvent_rho">set_aq_solvent_rho() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_complex_names">set_complex_names() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_complex_names">set_complex_names() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_custom_objects_dict">set_custom_objects_dict() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_custom_objects_dict">set_custom_objects_dict() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_dependant_params_dict">set_dependant_params_dict() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_dependant_params_dict">set_dependant_params_dict() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_diluant_name">set_diluant_name() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_diluant_name">set_diluant_name() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_diluant_rho">set_diluant_rho() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_diluant_rho">set_diluant_rho() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_exp_df">set_exp_df() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_exp_df">set_exp_df() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
</ul></td>
|
||||
<td style="width: 33%; vertical-align: top;"><ul>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_extractant_name">set_extractant_name() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_extractant_name">set_extractant_name() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_extractant_rho">set_extractant_rho() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_extractant_rho">set_extractant_rho() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_extracted_species_ion_names">set_extracted_species_ion_names() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_extracted_species_ion_names">set_extracted_species_ion_names() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_extracted_species_list">set_extracted_species_list() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_extracted_species_list">set_extracted_species_list() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_in_moles">set_in_moles() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_in_moles">set_in_moles() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_objective_function">set_objective_function() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_objective_function">set_objective_function() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_opt_dict">set_opt_dict() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_opt_dict">set_opt_dict() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_optimizer">set_optimizer() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_optimizer">set_optimizer() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_phases">set_phases() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_phases">set_phases() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.set_temp_xml_file_path">set_temp_xml_file_path() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_temp_xml_file_path">set_temp_xml_file_path() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
</ul></td>
|
||||
</tr></table>
|
||||
@@ -321,13 +322,13 @@
|
||||
<h2 id="U">U</h2>
|
||||
<table style="width: 100%" class="indextable genindextable"><tr>
|
||||
<td style="width: 33%; vertical-align: top;"><ul>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.update_custom_objects_dict">update_custom_objects_dict() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.update_custom_objects_dict">update_custom_objects_dict() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
</ul></td>
|
||||
<td style="width: 33%; vertical-align: top;"><ul>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.update_predicted_dict">update_predicted_dict() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.update_predicted_dict">update_predicted_dict() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
<li><a href="modules/reeps.html#llepe.LLEPE.update_xml">update_xml() (llepe.LLEPE method)</a>
|
||||
<li><a href="modules/LLEPE.html#llepe.LLEPE.update_xml">update_xml() (llepe.LLEPE method)</a>
|
||||
</li>
|
||||
</ul></td>
|
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</tr></table>
|
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@@ -344,7 +345,7 @@
|
||||
|
||||
<div role="contentinfo">
|
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<p>
|
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© Copyright 2020, Titus Quah, Nwike Iloeje
|
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© Copyright 2020, UChicago Argonne, LLC.
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</p>
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</div>
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272
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<div class="section" id="about">
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<span id="id1"></span><h1>About<a class="headerlink" href="#about" title="Permalink to this headline">¶</a></h1>
|
||||
<div class="section" id="authors">
|
||||
<h2>Authors<a class="headerlink" href="#authors" title="Permalink to this headline">¶</a></h2>
|
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<p>Titus Quah, University of Utah, <titus{dot}quah{at}gmail{dot}com></p>
|
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<p>Nwike Iloeje, Argonne National Laboratory, <ciloeje{at}anl{dot}gov></p>
|
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</div>
|
||||
<div class="section" id="acknowledgements">
|
||||
<h2>Acknowledgements<a class="headerlink" href="#acknowledgements" title="Permalink to this headline">¶</a></h2>
|
||||
<p>Based upon work supported by funding from Argonne National Laboratory provided by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE), under contract DE-AC02-06CH11357</p>
|
||||
</div>
|
||||
<div class="section" id="references">
|
||||
<h2>References<a class="headerlink" href="#references" title="Permalink to this headline">¶</a></h2>
|
||||
<p>If you use LLEPE in your research , we kindly request that you cite the package as follows:</p>
|
||||
<ol class="upperalpha simple" start="20">
|
||||
<li><p>Quah and C. O. Iloeje, “Liquid--Liquid Extraction Thermodynamic Parameter Estimator (LLEPE) for Multicomponent Separation Systems,” in Materials Processing Fundamentals 2021, 2021, pp. 107–120, doi: <a class="reference external" href="https://doi.org/10.1007/978-3-030-65253-1_9">https://doi.org/10.1007/978-3-030-65253-1_9</a>.</p></li>
|
||||
</ol>
|
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</div>
|
||||
<div class="section" id="license">
|
||||
<h2>License<a class="headerlink" href="#license" title="Permalink to this headline">¶</a></h2>
|
||||
<div class="highlight-default notranslate"><div class="highlight"><pre><span></span>Copyright © 2020, UChicago Argonne, LLC
|
||||
All Rights Reserved
|
||||
Software Name: LLEPE
|
||||
By: Argonne National Laboratory, University of Utah
|
||||
OPEN SOURCE LICENSE
|
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|
||||
Redistribution and use in source and binary forms, with or without
|
||||
modification, are permitted provided that the following conditions are met:
|
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|
||||
1. Redistributions of source code must retain the above copyright notice,
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||||
this list of conditions and the following disclaimer.
|
||||
2. Redistributions in binary form must reproduce the above copyright notice,
|
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this list of conditions and the following disclaimer in the documentation
|
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and/or other materials provided with the distribution.
|
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3. Neither the name of the copyright holder nor the names of its contributors
|
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may be used to endorse or promote products derived from this software without
|
||||
specific prior written permission.
|
||||
|
||||
|
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******************************************************************************************************
|
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DISCLAIMER
|
||||
|
||||
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
|
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AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
|
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WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED.
|
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IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT,
|
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INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT
|
||||
NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA,
|
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OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
|
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WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE)
|
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ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY
|
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OF SUCH DAMAGE.
|
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***************************************************************************************************
|
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</pre></div>
|
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14
docs/_build/html/guide/install.html
vendored
14
docs/_build/html/guide/install.html
vendored
@@ -36,7 +36,7 @@
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<link rel="index" title="Index" href="../genindex.html" />
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<li class="toctree-l1"><a class="reference internal" href="../modules/reeps.html">LLEPE</a></li>
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@@ -175,14 +175,14 @@
|
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<div class="section" id="bleeding-edge-version">
|
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<h2>Bleeding-edge version<a class="headerlink" href="#bleeding-edge-version" title="Permalink to this headline">¶</a></h2>
|
||||
<p>To install the latest master version:</p>
|
||||
<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>pip install git+https://xgitlab.cels.anl.gov/summer-2020/parameter-estimation.git
|
||||
<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>pip install git+https://github.com/ANL-CEEESA/LLEPE.git
|
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</pre></div>
|
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</div>
|
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</div>
|
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<div class="section" id="development-version">
|
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<h2>Development version<a class="headerlink" href="#development-version" title="Permalink to this headline">¶</a></h2>
|
||||
<p>To contribute to Stable-Baselines, with support for running tests and building the documentation.</p>
|
||||
<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>git clone https://xgitlab.cels.anl.gov/summer-2020/parameter-estimation.git <span class="o">&&</span> <span class="nb">cd</span> parameter-estimation
|
||||
<p>To contribute to LLEPE, with support for running tests and building the documentation.</p>
|
||||
<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>git clone https://github.com/ANL-CEEESA/LLEPE.git
|
||||
pip install -e .<span class="o">[</span>docs,tests<span class="o">]</span>
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<a href="../index.html" class="btn btn-neutral float-left" title="Welcome to llepe's docs! - the Liquid-Liquid Extraction Parameter Estimator" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left"></span> Previous</a>
|
||||
<a href="../index.html" class="btn btn-neutral float-left" title="Welcome to LLEPE's docs! - the Liquid-Liquid Extraction Parameter Estimator" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left"></span> Previous</a>
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<title>Welcome to llepe's docs! - the Liquid-Liquid Extraction Parameter Estimator — LLEPE 1.0.0 documentation</title>
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<title>Welcome to LLEPE's docs! - the Liquid-Liquid Extraction Parameter Estimator — LLEPE 1.0.0 documentation</title>
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<ul>
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<p class="caption"><span class="caption-text">Searchers</span></p>
|
||||
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|
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<li class="toctree-l1"><a class="reference internal" href="modules/reeps.html">LLEPE</a></li>
|
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<li class="toctree-l1"><a class="reference internal" href="modules/LLEPE.html">LLEPE</a></li>
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|
||||
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<li><a href="#">Docs</a> »</li>
|
||||
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||||
<li>Welcome to llepe's docs! - the Liquid-Liquid Extraction Parameter Estimator</li>
|
||||
<li>Welcome to LLEPE's docs! - the Liquid-Liquid Extraction Parameter Estimator</li>
|
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<div class="section" id="welcome-to-llepe-s-docs-the-liquid-liquid-extraction-parameter-estimator">
|
||||
<h1>Welcome to llepe's docs! - the Liquid-Liquid Extraction Parameter Estimator<a class="headerlink" href="#welcome-to-llepe-s-docs-the-liquid-liquid-extraction-parameter-estimator" title="Permalink to this headline">¶</a></h1>
|
||||
<h1>Welcome to LLEPE's docs! - the Liquid-Liquid Extraction Parameter Estimator<a class="headerlink" href="#welcome-to-llepe-s-docs-the-liquid-liquid-extraction-parameter-estimator" title="Permalink to this headline">¶</a></h1>
|
||||
<p>LLEPE is a package for thermodynamic parameter estimation for liquid-liquid extraction modeling</p>
|
||||
<p>LLEPE takes experimental data in a csv and system data in a xml.</p>
|
||||
<p>The package then uses Cantera, another python package, to simulate equilibrium.</p>
|
||||
@@ -172,12 +173,19 @@
|
||||
</ul>
|
||||
</li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="guide/quickstart.html">Getting Started</a></li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="guide/about.html">About</a><ul>
|
||||
<li class="toctree-l2"><a class="reference internal" href="guide/about.html#authors">Authors</a></li>
|
||||
<li class="toctree-l2"><a class="reference internal" href="guide/about.html#acknowledgements">Acknowledgements</a></li>
|
||||
<li class="toctree-l2"><a class="reference internal" href="guide/about.html#references">References</a></li>
|
||||
<li class="toctree-l2"><a class="reference internal" href="guide/about.html#license">License</a></li>
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
<div class="toctree-wrapper compound">
|
||||
<p class="caption"><span class="caption-text">Searchers</span></p>
|
||||
<ul>
|
||||
<li class="toctree-l1"><a class="reference internal" href="modules/reeps.html">LLEPE</a></li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="modules/LLEPE.html">LLEPE</a></li>
|
||||
</ul>
|
||||
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|
||||
</div>
|
||||
@@ -208,7 +216,7 @@
|
||||
|
||||
<div role="contentinfo">
|
||||
<p>
|
||||
© Copyright 2020, Titus Quah, Nwike Iloeje
|
||||
© Copyright 2020, UChicago Argonne, LLC.
|
||||
|
||||
</p>
|
||||
</div>
|
||||
|
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|
||||
<link rel="stylesheet" href="../_static/pygments.css" type="text/css" />
|
||||
<link rel="index" title="Index" href="../genindex.html" />
|
||||
<link rel="search" title="Search" href="../search.html" />
|
||||
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|
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|
||||
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|
||||
|
||||
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|
||||
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<li class="toctree-l1"><a class="reference internal" href="../guide/install.html">Installation</a></li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="../guide/quickstart.html">Getting Started</a></li>
|
||||
</ul>
|
||||
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|
||||
<ul class="current">
|
||||
<li class="toctree-l1 current"><a class="current reference internal" href="#">LLEPE</a><ul>
|
||||
<li class="toctree-l2"><a class="reference internal" href="#parameters">Parameters</a></li>
|
||||
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|
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|
||||
</ul>
|
||||
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||||
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
|
||||
<div itemprop="articleBody">
|
||||
|
||||
<span class="target" id="module-llepe"><span id="reeps"></span></span><div class="section" id="llepe">
|
||||
<h1>LLEPE<a class="headerlink" href="#llepe" title="Permalink to this headline">¶</a></h1>
|
||||
<span class="target" id="module-llepe"><span id="llepe"></span></span><div class="section" id="id1">
|
||||
<h1>LLEPE<a class="headerlink" href="#id1" title="Permalink to this headline">¶</a></h1>
|
||||
<div class="section" id="parameters">
|
||||
<h2>Parameters<a class="headerlink" href="#parameters" title="Permalink to this headline">¶</a></h2>
|
||||
<dl class="py class">
|
||||
@@ -170,7 +162,7 @@
|
||||
<p>The order in which the extracted species (ES) appear in the csv file
|
||||
must be the same order as they appear in the xml, complex_names and
|
||||
extracted_species_ion_names.</p>
|
||||
<p>For example, say in exp_csv_filename's csv, ES_1 is Nd ES_2 is Pr,
|
||||
<p>For example, say in exp_data, ES_1 is Nd ES_2 is Pr,
|
||||
and</p>
|
||||
<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="n">aq_solvent_name</span> <span class="o">=</span> <span class="s1">'H2O(L)'</span>
|
||||
<span class="n">extractant_name</span> <span class="o">=</span> <span class="s1">'(HA)2(org)'</span>
|
||||
@@ -178,7 +170,7 @@ and</p>
|
||||
</pre></div>
|
||||
</div>
|
||||
<p>Then:</p>
|
||||
<p>The csvs column ordering must be:</p>
|
||||
<p>The exp_data column ordering must be (names do not matter):</p>
|
||||
<p>[h_i, h_eq, z_i, z_eq, Nd_aq_i, Nd_aq_eq, Nd_d_eq,
|
||||
Pr_aq_i, Pr_aq_eq, Pr_d_eq]</p>
|
||||
<p>The aqueous speciesArray must be
|
||||
@@ -718,7 +710,9 @@ effect if data_labels is None</p></li>
|
||||
<dl class="py method">
|
||||
<dt id="llepe.LLEPE.plot_3d_data">
|
||||
<em class="property">static </em><code class="sig-name descname">plot_3d_data</code><span class="sig-paren">(</span><em class="sig-param"><span class="n">x_data</span></em>, <em class="sig-param"><span class="n">y_data</span></em>, <em class="sig-param"><span class="n">z_data</span></em>, <em class="sig-param"><span class="n">c_data</span><span class="o">=</span><span class="default_value">None</span></em>, <em class="sig-param"><span class="n">x_label</span><span class="o">=</span><span class="default_value">None</span></em>, <em class="sig-param"><span class="n">y_label</span><span class="o">=</span><span class="default_value">None</span></em>, <em class="sig-param"><span class="n">z_label</span><span class="o">=</span><span class="default_value">None</span></em>, <em class="sig-param"><span class="n">c_label</span><span class="o">=</span><span class="default_value">None</span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/llepe/llepe.html#LLEPE.plot_3d_data"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#llepe.LLEPE.plot_3d_data" title="Permalink to this definition">¶</a></dt>
|
||||
<dd><dl class="field-list simple">
|
||||
<dd><p>THis is for plotting 3d scatter plots.
|
||||
We suggest use matplotlib's ax.scatter to make 3d plots.</p>
|
||||
<dl class="field-list simple">
|
||||
<dt class="field-odd">Parameters</dt>
|
||||
<dd class="field-odd"><ul class="simple">
|
||||
<li><p><strong>x_data</strong> -- (list) list of data for x axis</p></li>
|
||||
@@ -1077,19 +1071,12 @@ about parameters dependant on info_dict</p></li>
|
||||
</div>
|
||||
<footer>
|
||||
|
||||
<div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
|
||||
|
||||
|
||||
<a href="../guide/quickstart.html" class="btn btn-neutral float-left" title="Getting Started" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left"></span> Previous</a>
|
||||
|
||||
</div>
|
||||
|
||||
|
||||
<hr/>
|
||||
|
||||
<div role="contentinfo">
|
||||
<p>
|
||||
© Copyright 2020, Titus Quah, Nwike Iloeje
|
||||
© Copyright 2020, UChicago Argonne, LLC.
|
||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
<li class="toctree-l1"><a class="reference internal" href="modules/reeps.html">LLEPE</a></li>
|
||||
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|
||||
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|
||||
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||||
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||||
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|
||||
<tr>
|
||||
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|
||||
<td>
|
||||
<a href="modules/reeps.html#module-llepe"><code class="xref">llepe</code></a></td><td>
|
||||
<a href="modules/LLEPE.html#module-llepe"><code class="xref">llepe</code></a></td><td>
|
||||
<em></em></td></tr>
|
||||
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|
||||
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||||
@@ -185,7 +186,7 @@
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||||
|
||||
<div role="contentinfo">
|
||||
<p>
|
||||
© Copyright 2020, Titus Quah, Nwike Iloeje
|
||||
© Copyright 2020, UChicago Argonne, LLC.
|
||||
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||||
</p>
|
||||
</div>
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||||
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||||
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|
||||
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|
||||
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|
||||
</ul>
|
||||
<p class="caption"><span class="caption-text">Searchers</span></p>
|
||||
<ul>
|
||||
<li class="toctree-l1"><a class="reference internal" href="modules/reeps.html">LLEPE</a></li>
|
||||
<li class="toctree-l1"><a class="reference internal" href="modules/LLEPE.html">LLEPE</a></li>
|
||||
</ul>
|
||||
|
||||
|
||||
@@ -176,7 +177,7 @@
|
||||
|
||||
<div role="contentinfo">
|
||||
<p>
|
||||
© Copyright 2020, Titus Quah, Nwike Iloeje
|
||||
© Copyright 2020, UChicago Argonne, LLC.
|
||||
|
||||
</p>
|
||||
</div>
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