| <!DOCTYPE html> |
| <html class="writer-html5" lang="en" > |
| <head> |
| <meta charset="utf-8" /><meta name="generator" content="Docutils 0.17.1: http://docutils.sourceforge.net/" /> |
|
|
| <meta name="viewport" content="width=device-width, initial-scale=1.0" /> |
| <title>Chemical Compounds — chemlib v1.0 documentation</title> |
| <link rel="stylesheet" href="_static/pygments.css" type="text/css" /> |
| <link rel="stylesheet" href="_static/css/theme.css" type="text/css" /> |
| |
| |
| |
| |
| <script data-url_root="./" id="documentation_options" 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/js/theme.js"></script> |
| <link rel="index" title="Index" href="genindex.html" /> |
| <link rel="search" title="Search" href="search.html" /> |
| <link rel="next" title="Empirical Formulae" href="formulae.html" /> |
| <link rel="prev" title="Core Data" href="core.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"> chemlib |
| </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="Navigation menu"> |
| <ul class="current"> |
| <li class="toctree-l1"><a class="reference internal" href="core.html">Core Data</a></li> |
| <li class="toctree-l1 current"><a class="current reference internal" href="#">Chemical Compounds</a><ul> |
| <li class="toctree-l2"><a class="reference internal" href="#making-a-compound">Making a Compound</a></li> |
| <li class="toctree-l2"><a class="reference internal" href="#molar-mass">Molar Mass</a></li> |
| <li class="toctree-l2"><a class="reference internal" href="#percentage-composition-by-mass">Percentage Composition by Mass</a></li> |
| <li class="toctree-l2"><a class="reference internal" href="#stoichiometry">Stoichiometry</a></li> |
| </ul> |
| </li> |
| <li class="toctree-l1"><a class="reference internal" href="formulae.html">Empirical Formulae</a></li> |
| <li class="toctree-l1"><a class="reference internal" href="reactions.html">Chemical Reactions</a></li> |
| <li class="toctree-l1"><a class="reference internal" href="solution.html">Aqueous Solutions</a></li> |
| <li class="toctree-l1"><a class="reference internal" href="electrochemistry.html">Electrochemistry</a></li> |
| <li class="toctree-l1"><a class="reference internal" href="quantum.html">Quantum Mechanics</a></li> |
| </ul> |
|
|
| </div> |
| </div> |
| </nav> |
|
|
| <section data-toggle="wy-nav-shift" class="wy-nav-content-wrap"><nav class="wy-nav-top" aria-label="Mobile navigation menu" > |
| <i data-toggle="wy-nav-top" class="fa fa-bars"></i> |
| <a href="index.html">chemlib</a> |
| </nav> |
|
|
| <div class="wy-nav-content"> |
| <div class="rst-content"> |
| <div role="navigation" aria-label="Page navigation"> |
| <ul class="wy-breadcrumbs"> |
| <li><a href="index.html" class="icon icon-home"></a> »</li> |
| <li>Chemical Compounds</li> |
| <li class="wy-breadcrumbs-aside"> |
| <a href="_sources/compounds.rst.txt" rel="nofollow"> View page source</a> |
| </li> |
| </ul> |
| <hr/> |
| </div> |
| <div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article"> |
| <div itemprop="articleBody"> |
| |
| <section id="chemical-compounds"> |
| <h1>Chemical Compounds<a class="headerlink" href="#chemical-compounds" title="Permalink to this headline"></a></h1> |
| <section id="making-a-compound"> |
| <h2>Making a Compound<a class="headerlink" href="#making-a-compound" title="Permalink to this headline"></a></h2> |
| <dl class="py attribute"> |
| <dt class="sig sig-object py" id="chemlib.chemistry.Compound"> |
| <span class="sig-prename descclassname"><span class="pre">chemlib.chemistry.</span></span><span class="sig-name descname"><span class="pre">Compound</span></span><a class="reference internal" href="_modules/chemlib/chemistry.html#Compound"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#chemlib.chemistry.Compound" title="Permalink to this definition"></a></dt> |
| <dd><p>alias of <code class="xref py py-obj docutils literal notranslate"><span class="pre">chemlib.chemistry.chemlib.chemistry.Compound._name</span></code></p> |
| </dd></dl> |
|
|
| <p>Instantiate a <code class="docutils literal notranslate"><span class="pre">chemlib.Compound</span></code> object with the formula of the compound.</p> |
| <div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="kn">from</span> <span class="nn">chemlib</span> <span class="kn">import</span> <span class="n">Compound</span> |
| <span class="gp">>>> </span><span class="n">water</span> <span class="o">=</span> <span class="n">Compound</span><span class="p">(</span><span class="s2">"H2O"</span><span class="p">)</span> |
| <span class="gp">>>> </span><span class="n">water</span><span class="o">.</span><span class="n">formula</span> |
| <span class="go">'H₂O₁'</span> |
| </pre></div> |
| </div> |
| <blockquote> |
| <div><dl class="py data"> |
| <dt class="sig sig-object py" id="chemlib.chemistry.Compound.occurences"> |
| <span class="sig-prename descclassname"><span class="pre">chemlib.chemistry.Compound.</span></span><span class="sig-name descname"><span class="pre">occurences</span></span><em class="property"><span class="pre">:</span> <span class="pre">dict</span></em><a class="headerlink" href="#chemlib.chemistry.Compound.occurences" title="Permalink to this definition"></a></dt> |
| <dd></dd></dl> |
|
|
| <p>A dictionary containing the frequencies of the constituent elements in the compound.</p> |
| <div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="n">water</span><span class="o">.</span><span class="n">occurences</span> |
| <span class="go">{'H': 2, 'O': 1}</span> |
| </pre></div> |
| </div> |
| </div></blockquote> |
| </section> |
| <section id="molar-mass"> |
| <h2>Molar Mass<a class="headerlink" href="#molar-mass" title="Permalink to this headline"></a></h2> |
| <dl class="py function"> |
| <dt class="sig sig-object py" id="chemlib.chemistry.Compound.molar_mass"> |
| <span class="sig-prename descclassname"><span class="pre">chemlib.chemistry.Compound.</span></span><span class="sig-name descname"><span class="pre">molar_mass</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">self</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#chemlib.chemistry.Compound.molar_mass" title="Permalink to this definition"></a></dt> |
| <dd><dl class="field-list simple"> |
| <dt class="field-odd">Returns</dt> |
| <dd class="field-odd"><p>The molar mass in (g/mol) of the compound</p> |
| </dd> |
| <dt class="field-even">Return type</dt> |
| <dd class="field-even"><p>float</p> |
| </dd> |
| </dl> |
| </dd></dl> |
|
|
| <div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="n">water</span><span class="o">.</span><span class="n">molar_mass</span><span class="p">()</span> |
| <span class="go">18.01</span> |
| </pre></div> |
| </div> |
| </section> |
| <section id="percentage-composition-by-mass"> |
| <h2>Percentage Composition by Mass<a class="headerlink" href="#percentage-composition-by-mass" title="Permalink to this headline"></a></h2> |
| <dl class="py function"> |
| <dt class="sig sig-object py" id="chemlib.chemistry.Compound.percentage_by_mass"> |
| <span class="sig-prename descclassname"><span class="pre">chemlib.chemistry.Compound.</span></span><span class="sig-name descname"><span class="pre">percentage_by_mass</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">self</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">element</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#chemlib.chemistry.Compound.percentage_by_mass" title="Permalink to this definition"></a></dt> |
| <dd><p>Get the percentage composition by mass of a certain element of the compound.</p> |
| <dl class="field-list simple"> |
| <dt class="field-odd">Parameters</dt> |
| <dd class="field-odd"><p><strong>element</strong> (<em>str</em>) – The constituent element of which the user wants to get percentage composition.</p> |
| </dd> |
| <dt class="field-even">Returns</dt> |
| <dd class="field-even"><p>The percentage composition by mass of the element in the compound.</p> |
| </dd> |
| <dt class="field-odd">Return type</dt> |
| <dd class="field-odd"><p>float</p> |
| </dd> |
| </dl> |
| </dd></dl> |
|
|
| <div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="n">water</span><span class="o">.</span><span class="n">percentage_by_mass</span><span class="p">(</span><span class="s1">'H'</span><span class="p">)</span> <span class="c1">#Percent of Hydrogen in Compound</span> |
| <span class="go">11.183</span> |
| <span class="gp">>>> </span><span class="n">water</span><span class="o">.</span><span class="n">percentage_by_mass</span><span class="p">(</span><span class="s1">'O'</span><span class="p">)</span> <span class="c1">#Percent of Oxygen in Compound</span> |
| <span class="go">88.834</span> |
| </pre></div> |
| </div> |
| </section> |
| <section id="stoichiometry"> |
| <h2>Stoichiometry<a class="headerlink" href="#stoichiometry" title="Permalink to this headline"></a></h2> |
| <dl class="py function"> |
| <dt class="sig sig-object py" id="chemlib.chemistry.Compound.get_amounts"> |
| <span class="sig-prename descclassname"><span class="pre">chemlib.chemistry.Compound.</span></span><span class="sig-name descname"><span class="pre">get_amounts</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">self</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#chemlib.chemistry.Compound.get_amounts" title="Permalink to this definition"></a></dt> |
| <dd><p>Get stoichiometric amounts of the compound given one measurement.</p> |
| <dl class="field-list simple"> |
| <dt class="field-odd">Parameters</dt> |
| <dd class="field-odd"><ul class="simple"> |
| <li><p><strong>compound_number</strong> (<em>int</em>) – The chosen compound in the reaction by order of appearance.</p></li> |
| <li><p><strong>kwargs</strong> – The amount of the chosen compound (grams=, moles=, or molecules=)</p></li> |
| </ul> |
| </dd> |
| <dt class="field-even">Returns</dt> |
| <dd class="field-even"><p>The gram, mole, and molecule amounts of the compound.</p> |
| </dd> |
| <dt class="field-odd">Return type</dt> |
| <dd class="field-odd"><p>dict</p> |
| </dd> |
| <dt class="field-even">Raises</dt> |
| <dd class="field-even"><ul class="simple"> |
| <li><p><strong>ValueError</strong> – If the kwargs argument isn’t either grams, moles, or molecules</p></li> |
| <li><p><strong>ValueError</strong> – if more than one argument is given under kwargs</p></li> |
| </ul> |
| </dd> |
| </dl> |
| </dd></dl> |
|
|
| <p>Get the amount of moles and molecules of water given 2 grams of water.</p> |
| <div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="n">water</span><span class="o">.</span><span class="n">get_amounts</span><span class="p">(</span><span class="n">grams</span> <span class="o">=</span> <span class="mi">2</span><span class="p">)</span> |
| <span class="go">{'Compound': 'H₂O₁', 'Grams': 2, 'Moles': 0.111, 'Molecules': 6.685e+22}</span> |
| </pre></div> |
| </div> |
| <p>Get the amount of grams and molecules of water given 2 moles of water.</p> |
| <div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="n">water</span><span class="o">.</span><span class="n">get_amounts</span><span class="p">(</span><span class="n">moles</span> <span class="o">=</span> <span class="mi">2</span><span class="p">)</span> |
| <span class="go">{'Compound': 'H₂O₁', 'Grams': 36.02, 'Moles': 2, 'Molecules': 1.204e+24}</span> |
| </pre></div> |
| </div> |
| <p>Get the amount of moles and grams of water given 2e+24 molecules of water.</p> |
| <div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">>>> </span><span class="n">water</span><span class="o">.</span><span class="n">get_amounts</span><span class="p">(</span><span class="n">molecules</span> <span class="o">=</span> <span class="mf">2e+24</span><span class="p">)</span> |
| <span class="go">{'Compound': 'H₂O₁', 'Grams': 59.834, 'Moles': 3.3223, 'Molecules': 2e+24}</span> |
| </pre></div> |
| </div> |
| </section> |
| </section> |
|
|
|
|
| </div> |
| </div> |
| <footer><div class="rst-footer-buttons" role="navigation" aria-label="Footer"> |
| <a href="core.html" class="btn btn-neutral float-left" title="Core Data" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a> |
| <a href="formulae.html" class="btn btn-neutral float-right" title="Empirical Formulae" accesskey="n" rel="next">Next <span class="fa fa-arrow-circle-right" aria-hidden="true"></span></a> |
| </div> |
|
|
| <hr/> |
|
|
| <div role="contentinfo"> |
| <p>© Copyright 2020, Hari Ambethkar.</p> |
| </div> |
|
|
| Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a |
| <a href="https://github.com/readthedocs/sphinx_rtd_theme">theme</a> |
| provided by <a href="https://readthedocs.org">Read the Docs</a>. |
| |
|
|
| </footer> |
| </div> |
| </div> |
| </section> |
| </div> |
| <script> |
| jQuery(function () { |
| SphinxRtdTheme.Navigation.enable(true); |
| }); |
| </script> |
|
|
| </body> |
| </html> |
