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Emily Boudreaux
2025-10-12 10:22:43 -04:00
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<div id="projectname">fourdst::libcomposition<span id="projectnumber">&#160;v1.5.2</span>
<div id="projectname">fourdst::libcomposition<span id="projectnumber">&#160;v1.9.0</span>
</div>
<div id="projectbrief">Robust atomic species information library</div>
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<div class="header">
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<a href="#nested-classes">Classes</a> &#124;
<a href="#enum-members">Enumerations</a> &#124;
<a href="#func-members">Functions</a> &#124;
<a href="#var-members">Variables</a> </div>
<div class="headertitle"><div class="title">fourdst::atomic Namespace Reference</div></div>
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<tr class="memdesc:"><td class="mdescLeft">&#160;</td><td class="mdescRight">Represents an atomic species (isotope) with its fundamental physical properties. <a href="structfourdst_1_1atomic_1_1_species.html#details">More...</a><br /></td></tr>
<tr class="separator:"><td class="memSeparator" colspan="2">&#160;</td></tr>
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Enumerations</h2></td></tr>
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, <a class="el" href="#a6c728f75913c5bfb62f6dcf9dff294feabad4f0ccf5dd67ba5efc3be855889ef3">SPECIES_SYMBOL_NOT_FOUND</a>
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<tr class="memdesc:a6c728f75913c5bfb62f6dcf9dff294fe"><td class="mdescLeft">&#160;</td><td class="mdescRight">Error types for species lookup. <a href="#a6c728f75913c5bfb62f6dcf9dff294fe">More...</a><br /></td></tr>
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Functions</h2></td></tr>
<tr class="memitem:ada037e2130ddb6174ff7934cda49c2ba" id="r_ada037e2130ddb6174ff7934cda49c2ba"><td class="memItemLeft" align="right" valign="top">double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#ada037e2130ddb6174ff7934cda49c2ba">convert_jpi_to_double</a> (const std::string &amp;jpi_string)</td></tr>
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<tr class="separator:ad34259c587ac92df0678beea6fde37bc"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a65016df026582f5d1718fd741c25b675" id="r_a65016df026582f5d1718fd741c25b675"><td class="memItemLeft" align="right" valign="top">static const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">Species</a>&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a65016df026582f5d1718fd741c25b675">Og_295</a> (&quot;Og-295&quot;, &quot;Og&quot;, 59, 177, 118, 295, 7076.0, &quot;B-&quot;, std::numeric_limits&lt; double &gt;::quiet_NaN(), 680.0, &quot;&quot;, &quot;~100&quot;, 295.216178, 703.0)</td></tr>
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<tr class="memitem:a29fe92b293db689c5da78599b8958c70" id="r_a29fe92b293db689c5da78599b8958c70"><td class="memItemLeft" align="right" valign="top"><a class="el" href="structfourdst_1_1atomic_1_1_species.html">Species</a>&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a29fe92b293db689c5da78599b8958c70">az_to_species</a> (const int a, const int z)</td></tr>
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<tr class="memitem:abd4cc0ec0922bf597ebee4c3c4d80f0d" id="r_abd4cc0ec0922bf597ebee4c3c4d80f0d"><td class="memItemLeft" align="right" valign="top">std::expected&lt; <a class="el" href="structfourdst_1_1atomic_1_1_species.html">Species</a>, <a class="el" href="#a6c728f75913c5bfb62f6dcf9dff294fe">SpeciesErrorType</a> &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#abd4cc0ec0922bf597ebee4c3c4d80f0d">az_to_species</a> (const int a, const int z) noexcept</td></tr>
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Variables</h2></td></tr>
<tr class="memitem:a82a2234f3c538636cc10293abd30e4a8" id="r_a82a2234f3c538636cc10293abd30e4a8"><td class="memItemLeft" align="right" valign="top">static const std::unordered_map&lt; uint8_t, std::string &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a82a2234f3c538636cc10293abd30e4a8">element_symbol_map</a></td></tr>
<tr class="memdesc:a82a2234f3c538636cc10293abd30e4a8"><td class="mdescLeft">&#160;</td><td class="mdescRight">Maps atomic number (Z) to element symbol. <br /></td></tr>
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<tr class="memitem:ac39cc5fb90b416556e93bdc93f627203" id="r_ac39cc5fb90b416556e93bdc93f627203"><td class="memItemLeft" align="right" valign="top">static const std::unordered_map&lt; std::string, uint8_t &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#ac39cc5fb90b416556e93bdc93f627203">symbol_element_map</a></td></tr>
<tr class="memdesc:ac39cc5fb90b416556e93bdc93f627203"><td class="mdescLeft">&#160;</td><td class="mdescRight">Maps element symbol to atomic number (Z). <br /></td></tr>
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<tr class="memitem:a3f619cc8f8b2cd718a4082c6adb0de90" id="r_a3f619cc8f8b2cd718a4082c6adb0de90"><td class="memItemLeft" align="right" valign="top">static const std::unordered_map&lt; std::string, const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">Species</a> &amp; &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a3f619cc8f8b2cd718a4082c6adb0de90">species</a></td></tr>
<tr class="memdesc:a3f619cc8f8b2cd718a4082c6adb0de90"><td class="mdescLeft">&#160;</td><td class="mdescRight">Map of species names to their corresponding <a class="el" href="structfourdst_1_1atomic_1_1_species.html" title="Represents an atomic species (isotope) with its fundamental physical properties.">Species</a> objects. <br /></td></tr>
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<a name="details" id="details"></a><h2 class="groupheader">Detailed Description</h2>
<div class="textblock"><p>Contains classes and functions related to atomic data, such as properties of atomic species. </p>
</div><h2 class="groupheader">Function Documentation</h2>
</div><h2 class="groupheader">Enumeration Type Documentation</h2>
<a id="a6c728f75913c5bfb62f6dcf9dff294fe" name="a6c728f75913c5bfb62f6dcf9dff294fe"></a>
<h2 class="memtitle"><span class="permalink"><a href="#a6c728f75913c5bfb62f6dcf9dff294fe">&#9670;&#160;</a></span>SpeciesErrorType</h2>
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<td class="memname">enum class <a class="el" href="#a6c728f75913c5bfb62f6dcf9dff294fe">fourdst::atomic::SpeciesErrorType</a></td>
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<p>Error types for species lookup. </p>
<dl class="section user"><dt>Types</dt><dd><ul>
<li>ELEMENT_SYMBOL_NOT_FOUND: The element symbol corresponding to the provided atomic number (Z) was not found.</li>
<li>SPECIES_SYMBOL_NOT_FOUND: The species symbol constructed from the element symbol and mass was not found. </li>
</ul>
</dd></dl>
<table class="fieldtable">
<tr><th colspan="2">Enumerator</th></tr><tr><td class="fieldname"><a id="a6c728f75913c5bfb62f6dcf9dff294fea3118448fccedc8cc00213d97349eec7a" name="a6c728f75913c5bfb62f6dcf9dff294fea3118448fccedc8cc00213d97349eec7a"></a>ELEMENT_SYMBOL_NOT_FOUND&#160;</td><td class="fielddoc"></td></tr>
<tr><td class="fieldname"><a id="a6c728f75913c5bfb62f6dcf9dff294feabad4f0ccf5dd67ba5efc3be855889ef3" name="a6c728f75913c5bfb62f6dcf9dff294feabad4f0ccf5dd67ba5efc3be855889ef3"></a>SPECIES_SYMBOL_NOT_FOUND&#160;</td><td class="fielddoc"></td></tr>
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<p class="definition">Definition at line <a class="el" href="species_8h_source.html#l07146">7146</a> of file <a class="el" href="species_8h_source.html">species.h</a>.</p>
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<h2 class="groupheader">Function Documentation</h2>
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<h2 class="memtitle"><span class="permalink"><a href="#ace9176ad95ecb1d5a3e078b9141a8d88">&#9670;&#160;</a></span>Ac_205()</h2>
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<h2 class="memtitle"><span class="permalink"><a href="#a29fe92b293db689c5da78599b8958c70">&#9670;&#160;</a></span>az_to_species()</h2>
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<h2 class="memtitle"><span class="permalink"><a href="#abd4cc0ec0922bf597ebee4c3c4d80f0d">&#9670;&#160;</a></span>az_to_species()</h2>
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<td class="memname"><a class="el" href="structfourdst_1_1atomic_1_1_species.html">Species</a> fourdst::atomic::az_to_species </td>
<td class="memname">std::expected&lt; <a class="el" href="structfourdst_1_1atomic_1_1_species.html">Species</a>, <a class="el" href="#a6c728f75913c5bfb62f6dcf9dff294fe">SpeciesErrorType</a> &gt; fourdst::atomic::az_to_species </td>
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<td class="paramtype">const int</td> <td class="paramname"><span class="paramname"><em>a</em></span>, </td>
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<p>@breif Convert atomic mass (A) and atomic number (Z) to a <a class="el" href="structfourdst_1_1atomic_1_1_species.html" title="Represents an atomic species (isotope) with its fundamental physical properties.">Species</a> object. </p><dl class="params"><dt>Parameters</dt><dd>
<table class="params">
<tr><td class="paramname">a</td><td>The atomic mass number. </td></tr>
<tr><td class="paramname">z</td><td>the atomic number. </td></tr>
</table>
</dd>
</dl>
<dl class="section return"><dt>Returns</dt><dd>A std::expected containing the <a class="el" href="structfourdst_1_1atomic_1_1_species.html" title="Represents an atomic species (isotope) with its fundamental physical properties.">Species</a> object if found, or a <a class="el" href="#a6c728f75913c5bfb62f6dcf9dff294fe" title="Error types for species lookup.">SpeciesErrorType</a> error if not found. </dd></dl>
<dl class="section note"><dt>Note</dt><dd>This function is noexcept and will not throw exceptions. The only possible exception is a bad_alloc from std::string operations and this is unrecoverable. </dd></dl>
<p class="definition">Definition at line <a class="el" href="species_8h_source.html#l07142">7142</a> of file <a class="el" href="species_8h_source.html">species.h</a>.</p>
<p class="definition">Definition at line <a class="el" href="species_8h_source.html#l07158">7158</a> of file <a class="el" href="species_8h_source.html">species.h</a>.</p>
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<p class="definition">Definition at line <a class="el" href="elements_8h_source.html#l00008">8</a> of file <a class="el" href="elements_8h_source.html">elements.h</a>.</p>
<p>Maps atomic number (Z) to element symbol. </p>
<p>This map allows lookup of the chemical symbol for a given atomic number.</p>
<dl class="section user"><dt>Example</dt><dd><div class="fragment"><div class="line">std::string symbol = <a class="code hl_variable" href="#a82a2234f3c538636cc10293abd30e4a8">fourdst::atomic::element_symbol_map</a>.at(8); <span class="comment">// symbol == &quot;O&quot;</span></div>
<div class="ttc" id="anamespacefourdst_1_1atomic_html_a82a2234f3c538636cc10293abd30e4a8"><div class="ttname"><a href="#a82a2234f3c538636cc10293abd30e4a8">fourdst::atomic::element_symbol_map</a></div><div class="ttdeci">static const std::unordered_map&lt; uint8_t, std::string &gt; element_symbol_map</div><div class="ttdoc">Maps atomic number (Z) to element symbol.</div><div class="ttdef"><b>Definition</b> <a href="elements_8h_source.html#l00028">elements.h:28</a></div></div>
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<p class="definition">Definition at line <a class="el" href="elements_8h_source.html#l00028">28</a> of file <a class="el" href="elements_8h_source.html">elements.h</a>.</p>
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<p class="definition">Definition at line <a class="el" href="species_8h_source.html#l03581">3581</a> of file <a class="el" href="species_8h_source.html">species.h</a>.</p>
<p>Map of species names to their corresponding <a class="el" href="structfourdst_1_1atomic_1_1_species.html" title="Represents an atomic species (isotope) with its fundamental physical properties.">Species</a> objects. </p>
<p>This unordered map allows for quick lookup of species by their string identifiers. All <a class="el" href="structfourdst_1_1atomic_1_1_species.html" title="Represents an atomic species (isotope) with its fundamental physical properties.">Species</a> are stored as constant references to ensure immutability and efficient access. </p>
<p class="definition">Definition at line <a class="el" href="species_8h_source.html#l03579">3579</a> of file <a class="el" href="species_8h_source.html">species.h</a>.</p>
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<p class="definition">Definition at line <a class="el" href="elements_8h_source.html#l00128">128</a> of file <a class="el" href="elements_8h_source.html">elements.h</a>.</p>
<p>Maps element symbol to atomic number (Z). </p>
<p>This map allows lookup of the atomic number for a given chemical symbol.</p>
<dl class="section user"><dt>Example</dt><dd><div class="fragment"><div class="line">uint8_t z = <a class="code hl_variable" href="#ac39cc5fb90b416556e93bdc93f627203">fourdst::atomic::symbol_element_map</a>.at(<span class="stringliteral">&quot;Fe&quot;</span>); <span class="comment">// z == 26</span></div>
<div class="ttc" id="anamespacefourdst_1_1atomic_html_ac39cc5fb90b416556e93bdc93f627203"><div class="ttname"><a href="#ac39cc5fb90b416556e93bdc93f627203">fourdst::atomic::symbol_element_map</a></div><div class="ttdeci">static const std::unordered_map&lt; std::string, uint8_t &gt; symbol_element_map</div><div class="ttdoc">Maps element symbol to atomic number (Z).</div><div class="ttdef"><b>Definition</b> <a href="elements_8h_source.html#l00159">elements.h:159</a></div></div>
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<p class="definition">Definition at line <a class="el" href="elements_8h_source.html#l00159">159</a> of file <a class="el" href="elements_8h_source.html">elements.h</a>.</p>
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