mirror of https://github.com/ANL-CEEESA/LLEPE
You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
377 lines
12 KiB
377 lines
12 KiB
|
|
|
|
|
|
<!DOCTYPE html>
|
|
<!--[if IE 8]><html class="no-js lt-ie9" lang="python" > <![endif]-->
|
|
<!--[if gt IE 8]><!--> <html class="no-js" lang="python" > <!--<![endif]-->
|
|
<head>
|
|
<meta charset="utf-8">
|
|
|
|
<meta name="viewport" content="width=device-width, initial-scale=1.0">
|
|
|
|
<title>Index — LLEPE 1.0.0 documentation</title>
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
<script type="text/javascript" src="_static/js/modernizr.min.js"></script>
|
|
|
|
|
|
<script type="text/javascript" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
|
|
<script src="_static/jquery.js"></script>
|
|
<script src="_static/underscore.js"></script>
|
|
<script src="_static/doctools.js"></script>
|
|
<script src="_static/language_data.js"></script>
|
|
|
|
<script type="text/javascript" src="_static/js/theme.js"></script>
|
|
|
|
|
|
|
|
|
|
<link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
|
|
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
|
|
<link rel="index" title="Index" href="#" />
|
|
<link rel="search" title="Search" href="search.html" />
|
|
</head>
|
|
|
|
<body class="wy-body-for-nav">
|
|
|
|
|
|
<div class="wy-grid-for-nav">
|
|
|
|
<nav data-toggle="wy-nav-shift" class="wy-nav-side">
|
|
<div class="wy-side-scroll">
|
|
<div class="wy-side-nav-search" >
|
|
|
|
|
|
|
|
<a href="index.html" class="icon icon-home"> LLEPE
|
|
|
|
|
|
|
|
|
|
<img src="_static/logo.png" class="logo" alt="Logo"/>
|
|
|
|
</a>
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
<div role="search">
|
|
<form id="rtd-search-form" class="wy-form" action="search.html" method="get">
|
|
<input type="text" name="q" placeholder="Search docs" />
|
|
<input type="hidden" name="check_keywords" value="yes" />
|
|
<input type="hidden" name="area" value="default" />
|
|
</form>
|
|
</div>
|
|
|
|
|
|
</div>
|
|
|
|
<div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="main navigation">
|
|
|
|
|
|
|
|
|
|
|
|
|
|
<p class="caption"><span class="caption-text">User Guide</span></p>
|
|
<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/LLEPE.html">LLEPE</a></li>
|
|
</ul>
|
|
|
|
|
|
|
|
</div>
|
|
</div>
|
|
</nav>
|
|
|
|
<section data-toggle="wy-nav-shift" class="wy-nav-content-wrap">
|
|
|
|
|
|
<nav class="wy-nav-top" aria-label="top navigation">
|
|
|
|
<i data-toggle="wy-nav-top" class="fa fa-bars"></i>
|
|
<a href="index.html">LLEPE</a>
|
|
|
|
</nav>
|
|
|
|
|
|
<div class="wy-nav-content">
|
|
|
|
<div class="rst-content">
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
<div role="navigation" aria-label="breadcrumbs navigation">
|
|
|
|
<ul class="wy-breadcrumbs">
|
|
|
|
<li><a href="index.html">Docs</a> »</li>
|
|
|
|
<li>Index</li>
|
|
|
|
|
|
<li class="wy-breadcrumbs-aside">
|
|
|
|
|
|
|
|
</li>
|
|
|
|
</ul>
|
|
|
|
|
|
<hr/>
|
|
</div>
|
|
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
|
|
<div itemprop="articleBody">
|
|
|
|
|
|
<h1 id="index">Index</h1>
|
|
|
|
<div class="genindex-jumpbox">
|
|
<a href="#F"><strong>F</strong></a>
|
|
| <a href="#G"><strong>G</strong></a>
|
|
| <a href="#L"><strong>L</strong></a>
|
|
| <a href="#M"><strong>M</strong></a>
|
|
| <a href="#P"><strong>P</strong></a>
|
|
| <a href="#R"><strong>R</strong></a>
|
|
| <a href="#S"><strong>S</strong></a>
|
|
| <a href="#U"><strong>U</strong></a>
|
|
|
|
</div>
|
|
<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/LLEPE.html#llepe.LLEPE.fit">fit() (llepe.LLEPE method)</a>
|
|
</li>
|
|
</ul></td>
|
|
</tr></table>
|
|
|
|
<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/LLEPE.html#llepe.LLEPE.get_aq_solvent_name">get_aq_solvent_name() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<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/LLEPE.html#llepe.LLEPE.get_complex_names">get_complex_names() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<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/LLEPE.html#llepe.LLEPE.get_dependant_params_dict">get_dependant_params_dict() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_diluant_name">get_diluant_name() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_diluant_rho">get_diluant_rho() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_exp_df">get_exp_df() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<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/LLEPE.html#llepe.LLEPE.get_extractant_rho">get_extractant_rho() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<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/LLEPE.html#llepe.LLEPE.get_extracted_species_list">get_extracted_species_list() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_in_moles">get_in_moles() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_objective_function">get_objective_function() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_opt_dict">get_opt_dict() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_optimizer">get_optimizer() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_phases">get_phases() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.get_predicted_dict">get_predicted_dict() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<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>
|
|
|
|
<h2 id="L">L</h2>
|
|
<table style="width: 100%" class="indextable genindextable"><tr>
|
|
<td style="width: 33%; vertical-align: top;"><ul>
|
|
<li>
|
|
llepe
|
|
|
|
<ul>
|
|
<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/LLEPE.html#llepe.LLEPE">LLEPE (class in llepe)</a>
|
|
</li>
|
|
<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>
|
|
|
|
<h2 id="M">M</h2>
|
|
<table style="width: 100%" class="indextable genindextable"><tr>
|
|
<td style="width: 33%; vertical-align: top;"><ul>
|
|
<li>
|
|
module
|
|
|
|
<ul>
|
|
<li><a href="modules/LLEPE.html#module-llepe">llepe</a>
|
|
</li>
|
|
</ul></li>
|
|
</ul></td>
|
|
</tr></table>
|
|
|
|
<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/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/LLEPE.html#llepe.LLEPE.plot_3d_data">plot_3d_data() (llepe.LLEPE static method)</a>
|
|
</li>
|
|
</ul></td>
|
|
</tr></table>
|
|
|
|
<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/LLEPE.html#llepe.LLEPE.r_squared">r_squared() (llepe.LLEPE method)</a>
|
|
</li>
|
|
</ul></td>
|
|
</tr></table>
|
|
|
|
<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/LLEPE.html#llepe.LLEPE.scipy_minimize">scipy_minimize() (llepe.LLEPE static method)</a>
|
|
</li>
|
|
<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/LLEPE.html#llepe.LLEPE.set_aq_solvent_rho">set_aq_solvent_rho() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_complex_names">set_complex_names() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<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/LLEPE.html#llepe.LLEPE.set_dependant_params_dict">set_dependant_params_dict() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_diluant_name">set_diluant_name() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_diluant_rho">set_diluant_rho() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<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/LLEPE.html#llepe.LLEPE.set_extractant_name">set_extractant_name() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_extractant_rho">set_extractant_rho() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<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/LLEPE.html#llepe.LLEPE.set_extracted_species_list">set_extracted_species_list() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_in_moles">set_in_moles() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_objective_function">set_objective_function() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_opt_dict">set_opt_dict() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_optimizer">set_optimizer() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.set_phases">set_phases() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<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>
|
|
|
|
<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/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/LLEPE.html#llepe.LLEPE.update_predicted_dict">update_predicted_dict() (llepe.LLEPE method)</a>
|
|
</li>
|
|
<li><a href="modules/LLEPE.html#llepe.LLEPE.update_xml">update_xml() (llepe.LLEPE method)</a>
|
|
</li>
|
|
</ul></td>
|
|
</tr></table>
|
|
|
|
|
|
|
|
</div>
|
|
|
|
</div>
|
|
<footer>
|
|
|
|
|
|
<hr/>
|
|
|
|
<div role="contentinfo">
|
|
<p>
|
|
© Copyright 2020, UChicago Argonne, LLC.
|
|
|
|
</p>
|
|
</div>
|
|
Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/rtfd/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>.
|
|
|
|
</footer>
|
|
|
|
</div>
|
|
</div>
|
|
|
|
</section>
|
|
|
|
</div>
|
|
|
|
|
|
|
|
<script type="text/javascript">
|
|
jQuery(function () {
|
|
SphinxRtdTheme.Navigation.enable(true);
|
|
});
|
|
</script>
|
|
|
|
|
|
|
|
|
|
|
|
|
|
</body>
|
|
</html> |