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Fix install instruct
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PytLab committed Nov 12, 2018
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# Sphinx build info version 1
# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
config: 9def3ab6b901fbc5ac130af0ac3aab30
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tags: 645f666f9bcd5a90fca523b33c5a78b7
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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Overview: module code &mdash; catynetics catynetics documentation</title>
<title>Overview: module code &mdash; scaks scaks documentation</title>



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<a href="../index.html" class="icon icon-home"> catynetics
<a href="../index.html" class="icon icon-home"> scaks



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<nav class="wy-nav-top" aria-label="top navigation">

<i data-toggle="wy-nav-top" class="fa fa-bars"></i>
<a href="../index.html">catynetics</a>
<a href="../index.html">scaks</a>

</nav>

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<div itemprop="articleBody">

<h1>All modules for which code is available</h1>
<ul><li><a href="catynetics.html">catynetics</a></li>
<ul><li><a href="catynetics/correctors/thermodynamic_corrector.html">catynetics.correctors.thermodynamic_corrector</a></li>
<li><a href="catynetics/descriptors/component_descriptors.html">catynetics.descriptors.component_descriptors</a></li>
<li><a href="catynetics/descriptors/descriptors.html">catynetics.descriptors.descriptors</a></li>
<li><a href="catynetics/models/kinetic_model.html">catynetics.models.kinetic_model</a></li>
<li><a href="catynetics/models/micro_kinetic_model.html">catynetics.models.micro_kinetic_model</a></li>
<li><a href="catynetics/mpicommons.html">catynetics.mpicommons</a></li>
<li><a href="catynetics/parsers/absolute_energy_parser.html">catynetics.parsers.absolute_energy_parser</a></li>
<li><a href="catynetics/parsers/kmc_parser.html">catynetics.parsers.kmc_parser</a></li>
<li><a href="catynetics/parsers/parser_base.html">catynetics.parsers.parser_base</a></li>
<li><a href="catynetics/parsers/relative_energy_parser.html">catynetics.parsers.relative_energy_parser</a></li>
<li><a href="catynetics/parsers/rxn_parser.html">catynetics.parsers.rxn_parser</a></li>
<li><a href="catynetics/plotters/energy_profile_plotter.html">catynetics.plotters.energy_profile_plotter</a></li>
<li><a href="catynetics/solvers/mean_field_solver.html">catynetics.solvers.mean_field_solver</a></li>
<li><a href="catynetics/solvers/rootfinding_iterators.html">catynetics.solvers.rootfinding_iterators</a></li>
<li><a href="catynetics/solvers/solver_base.html">catynetics.solvers.solver_base</a></li>
<li><a href="catynetics/solvers/steady_state_solver.html">catynetics.solvers.steady_state_solver</a></li>
<li><a href="catynetics/utilities/check_utilities.html">catynetics.utilities.check_utilities</a></li>
<li><a href="catynetics/utilities/coordinate_utilities.html">catynetics.utilities.coordinate_utilities</a></li>
<li><a href="catynetics/utilities/format_utilities.html">catynetics.utilities.format_utilities</a></li>
<ul><li><a href="scaks.html">scaks</a></li>
<ul><li><a href="scaks/correctors/thermodynamic_corrector.html">scaks.correctors.thermodynamic_corrector</a></li>
<li><a href="scaks/descriptors/component_descriptors.html">scaks.descriptors.component_descriptors</a></li>
<li><a href="scaks/descriptors/descriptors.html">scaks.descriptors.descriptors</a></li>
<li><a href="scaks/models/kinetic_model.html">scaks.models.kinetic_model</a></li>
<li><a href="scaks/models/micro_kinetic_model.html">scaks.models.micro_kinetic_model</a></li>
<li><a href="scaks/mpicommons.html">scaks.mpicommons</a></li>
<li><a href="scaks/parsers/absolute_energy_parser.html">scaks.parsers.absolute_energy_parser</a></li>
<li><a href="scaks/parsers/kmc_parser.html">scaks.parsers.kmc_parser</a></li>
<li><a href="scaks/parsers/parser_base.html">scaks.parsers.parser_base</a></li>
<li><a href="scaks/parsers/relative_energy_parser.html">scaks.parsers.relative_energy_parser</a></li>
<li><a href="scaks/parsers/rxn_parser.html">scaks.parsers.rxn_parser</a></li>
<li><a href="scaks/plotters/energy_profile_plotter.html">scaks.plotters.energy_profile_plotter</a></li>
<li><a href="scaks/solvers/mean_field_solver.html">scaks.solvers.mean_field_solver</a></li>
<li><a href="scaks/solvers/rootfinding_iterators.html">scaks.solvers.rootfinding_iterators</a></li>
<li><a href="scaks/solvers/solver_base.html">scaks.solvers.solver_base</a></li>
<li><a href="scaks/solvers/steady_state_solver.html">scaks.solvers.steady_state_solver</a></li>
<li><a href="scaks/utilities/check_utilities.html">scaks.utilities.check_utilities</a></li>
<li><a href="scaks/utilities/coordinate_utilities.html">scaks.utilities.coordinate_utilities</a></li>
<li><a href="scaks/utilities/format_utilities.html">scaks.utilities.format_utilities</a></li>
</ul></ul>

</div>
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<script type="text/javascript">
var DOCUMENTATION_OPTIONS = {
URL_ROOT:'../',
VERSION:'catynetics',
VERSION:'scaks',
LANGUAGE:'Python',
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FILE_SUFFIX:'.html',
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<!DOCTYPE html>
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<title>scaks &mdash; scaks scaks documentation</title>















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<li class="toctree-l1"><a class="reference internal" href="../intro.html">Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="../install.html">Installation</a></li>
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<h1>Source code for scaks</h1><div class="highlight"><pre>
<span></span><span class="kn">import</span> <span class="nn">time</span>
<span class="kn">import</span> <span class="nn">sys</span>

<span class="kn">from</span> <span class="nn">.functions</span> <span class="k">import</span> <span class="o">*</span>
<span class="kn">from</span> <span class="nn">.errors.error</span> <span class="k">import</span> <span class="o">*</span>
<span class="kn">from</span> <span class="nn">.compatutil</span> <span class="k">import</span> <span class="n">pickle</span>


<span class="n">__version__</span> <span class="o">=</span> <span class="s1">&#39;1.0.0&#39;</span>

<span class="n">file_header</span> <span class="o">=</span> <span class="p">(</span>
<span class="s1">&#39;# This file was automatically generated by scaks&#39;</span> <span class="o">+</span>
<span class="s1">&#39; (https://github.com/PytLab/scaks).</span><span class="se">\n</span><span class="s1">&#39;</span> <span class="o">+</span>
<span class="s1">&#39;# Version </span><span class="si">%s</span><span class="se">\n</span><span class="s1"># Date: </span><span class="si">%s</span><span class="s1"> </span><span class="se">\n</span><span class="s1">#</span><span class="se">\n</span><span class="s1">&#39;</span> <span class="o">+</span>
<span class="s1">&#39;# Do not make changes to this file &#39;</span> <span class="o">+</span>
<span class="s1">&#39;unless you know what you are doing</span><span class="se">\n\n</span><span class="s1">&#39;</span><span class="p">)</span> <span class="o">%</span> <span class="p">(</span><span class="n">__version__</span><span class="p">,</span> <span class="n">time</span><span class="o">.</span><span class="n">asctime</span><span class="p">())</span>

<span class="c1">#-------------------------------------------------------</span>
<span class="c1"># Some base classes for kinetic model are defined below |</span>
<span class="c1">#-------------------------------------------------------</span>


<span class="k">class</span> <span class="nc">ModelShell</span><span class="p">(</span><span class="nb">object</span><span class="p">):</span>
<span class="sd">&quot;&quot;&quot;</span>
<span class="sd"> A non-functional parent class to be inherited by</span>
<span class="sd"> other tools class of kinetic model.</span>
<span class="sd"> &quot;&quot;&quot;</span>

<span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">owner</span><span class="p">):</span>
<span class="bp">self</span><span class="o">.</span><span class="n">_owner</span> <span class="o">=</span> <span class="n">owner</span>
<span class="bp">self</span><span class="o">.</span><span class="n">_archived_data_dict</span> <span class="o">=</span> <span class="p">{}</span>

<span class="k">def</span> <span class="nf">archive_data</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">data_name</span><span class="p">,</span> <span class="n">data</span><span class="p">):</span>
<span class="sd">&quot;&quot;&quot;</span>
<span class="sd"> Update data dict and dump it to data file.</span>

<span class="sd"> :param data_name: key in data dict</span>
<span class="sd"> :type data_name: str</span>

<span class="sd"> :param data: value in data dict</span>
<span class="sd"> :type data: any</span>
<span class="sd"> &quot;&quot;&quot;</span>
<span class="c1"># Update data dict.</span>
<span class="k">if</span> <span class="n">data_name</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">_owner</span><span class="o">.</span><span class="n">archived_variables</span><span class="p">:</span>
<span class="bp">self</span><span class="o">.</span><span class="n">_archived_data_dict</span><span class="p">[</span><span class="n">data_name</span><span class="p">]</span> <span class="o">=</span> <span class="n">data</span>
<span class="c1"># Dump data dict to data file</span>
<span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">_archived_data_dict</span><span class="p">:</span>
<span class="k">with</span> <span class="nb">open</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">_owner</span><span class="o">.</span><span class="n">data_file</span><span class="p">,</span> <span class="s1">&#39;wb&#39;</span><span class="p">)</span> <span class="k">as</span> <span class="n">f</span><span class="p">:</span>
<span class="n">pickle</span><span class="o">.</span><span class="n">dump</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">_archived_data_dict</span><span class="p">,</span> <span class="n">f</span><span class="p">)</span>

<span class="nd">@staticmethod</span>
<span class="k">def</span> <span class="nf">write2file</span><span class="p">(</span><span class="n">filename</span><span class="p">,</span> <span class="n">line</span><span class="p">):</span>
<span class="n">f</span> <span class="o">=</span> <span class="nb">open</span><span class="p">(</span><span class="n">filename</span><span class="p">,</span> <span class="s1">&#39;a&#39;</span><span class="p">)</span>
<span class="n">f</span><span class="o">.</span><span class="n">write</span><span class="p">(</span><span class="n">line</span><span class="p">)</span>
<span class="n">f</span><span class="o">.</span><span class="n">close</span><span class="p">()</span>

</pre></div>

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