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@@ -178,11 +178,11 @@ C++ Usage Examples</h3>
<div class="line"> <span class="keywordflow">return</span> 0;</div>
<div class="line">}</div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html">fourdst::composition::Composition</a></div><div class="ttdoc">Manages a collection of chemical species and their abundances.</div><div class="ttdef"><b>Definition</b> <a href="composition_8h_source.html#l00258">composition.h:258</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a1bc2e64f87c12befdc2bc767e7405661"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a1bc2e64f87c12befdc2bc767e7405661">fourdst::composition::Composition::registerSymbol</a></div><div class="ttdeci">void registerSymbol(const std::string &amp;symbol, bool massFracMode=true)</div><div class="ttdoc">Registers a new symbol for inclusion in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00208">composition.cpp:208</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a493224656aa3ade68389250720ef09af"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a493224656aa3ade68389250720ef09af">fourdst::composition::Composition::setMassFraction</a></div><div class="ttdeci">double setMassFraction(const std::string &amp;symbol, const double &amp;mass_fraction)</div><div class="ttdoc">Sets the mass fraction for a given symbol.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00287">composition.cpp:287</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a66401fed7054172e9b1a2687e5cc8eff"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a66401fed7054172e9b1a2687e5cc8eff">fourdst::composition::Composition::getMeanParticleMass</a></div><div class="ttdeci">double getMeanParticleMass() const</div><div class="ttdoc">Compute the mean particle mass of the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00613">composition.cpp:613</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a72d063a74a9d2197065884a2cea57a14"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a72d063a74a9d2197065884a2cea57a14">fourdst::composition::Composition::finalize</a></div><div class="ttdeci">bool finalize(bool norm=false)</div><div class="ttdoc">Finalizes the composition, making it ready for querying.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00389">composition.cpp:389</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_ad20bd541dd7c45274a2e586e6a0519a7"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#ad20bd541dd7c45274a2e586e6a0519a7">fourdst::composition::Composition::getMassFraction</a></div><div class="ttdeci">std::unordered_map&lt; std::string, double &gt; getMassFraction() const</div><div class="ttdoc">Gets the mass fractions of all species in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00534">composition.cpp:534</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a1bc2e64f87c12befdc2bc767e7405661"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a1bc2e64f87c12befdc2bc767e7405661">fourdst::composition::Composition::registerSymbol</a></div><div class="ttdeci">void registerSymbol(const std::string &amp;symbol, bool massFracMode=true)</div><div class="ttdoc">Registers a new symbol for inclusion in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00233">composition.cpp:233</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a493224656aa3ade68389250720ef09af"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a493224656aa3ade68389250720ef09af">fourdst::composition::Composition::setMassFraction</a></div><div class="ttdeci">double setMassFraction(const std::string &amp;symbol, const double &amp;mass_fraction)</div><div class="ttdoc">Sets the mass fraction for a given symbol.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00312">composition.cpp:312</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a66401fed7054172e9b1a2687e5cc8eff"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a66401fed7054172e9b1a2687e5cc8eff">fourdst::composition::Composition::getMeanParticleMass</a></div><div class="ttdeci">double getMeanParticleMass() const</div><div class="ttdoc">Compute the mean particle mass of the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00638">composition.cpp:638</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a72d063a74a9d2197065884a2cea57a14"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a72d063a74a9d2197065884a2cea57a14">fourdst::composition::Composition::finalize</a></div><div class="ttdeci">bool finalize(bool norm=false)</div><div class="ttdoc">Finalizes the composition, making it ready for querying.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00414">composition.cpp:414</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_ad20bd541dd7c45274a2e586e6a0519a7"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#ad20bd541dd7c45274a2e586e6a0519a7">fourdst::composition::Composition::getMassFraction</a></div><div class="ttdeci">std::unordered_map&lt; std::string, double &gt; getMassFraction() const</div><div class="ttdoc">Gets the mass fractions of all species in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00559">composition.cpp:559</a></div></div>
<div class="ttc" id="acomposition_8h_html"><div class="ttname"><a href="composition_8h.html">composition.h</a></div></div>
</div><!-- fragment --><h4><a class="anchor" id="autotoc_md8"></a>
2. Number Fraction Composition and Mode Switching</h4>
@@ -214,9 +214,9 @@ C++ Usage Examples</h3>
<div class="line"> std::cout &lt;&lt; <span class="stringliteral">&quot;He-4 Mass Fraction (after mode switch): &quot;</span> &lt;&lt; comp.<a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#ad20bd541dd7c45274a2e586e6a0519a7">getMassFraction</a>(<span class="stringliteral">&quot;He-4&quot;</span>) &lt;&lt; std::endl;</div>
<div class="line"> }</div>
<div class="line">}</div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a0af981ed1074b26c237cf6cf35f82c9e"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a0af981ed1074b26c237cf6cf35f82c9e">fourdst::composition::Composition::setCompositionMode</a></div><div class="ttdeci">void setCompositionMode(bool massFracMode)</div><div class="ttdoc">Sets the composition mode (mass fraction vs. number fraction).</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00669">composition.cpp:669</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a7d4d748f3ee25e68751fb143717ed080"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a7d4d748f3ee25e68751fb143717ed080">fourdst::composition::Composition::setNumberFraction</a></div><div class="ttdeci">double setNumberFraction(const std::string &amp;symbol, const double &amp;number_fraction)</div><div class="ttdoc">Sets the number fraction for a given symbol.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00338">composition.cpp:338</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a84fea38bc1c005e483910285f6800e15"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a84fea38bc1c005e483910285f6800e15">fourdst::composition::Composition::getNumberFraction</a></div><div class="ttdeci">double getNumberFraction(const std::string &amp;symbol) const</div><div class="ttdoc">Gets the number fraction for a given symbol.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00543">composition.cpp:543</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a0af981ed1074b26c237cf6cf35f82c9e"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a0af981ed1074b26c237cf6cf35f82c9e">fourdst::composition::Composition::setCompositionMode</a></div><div class="ttdeci">void setCompositionMode(bool massFracMode)</div><div class="ttdoc">Sets the composition mode (mass fraction vs. number fraction).</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00694">composition.cpp:694</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a7d4d748f3ee25e68751fb143717ed080"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a7d4d748f3ee25e68751fb143717ed080">fourdst::composition::Composition::setNumberFraction</a></div><div class="ttdeci">double setNumberFraction(const std::string &amp;symbol, const double &amp;number_fraction)</div><div class="ttdoc">Sets the number fraction for a given symbol.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00363">composition.cpp:363</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a84fea38bc1c005e483910285f6800e15"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a84fea38bc1c005e483910285f6800e15">fourdst::composition::Composition::getNumberFraction</a></div><div class="ttdeci">double getNumberFraction(const std::string &amp;symbol) const</div><div class="ttdoc">Gets the number fraction for a given symbol.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00568">composition.cpp:568</a></div></div>
<div class="ttc" id="aexceptions__composition_8h_html"><div class="ttname"><a href="exceptions__composition_8h.html">exceptions_composition.h</a></div></div>
</div><!-- fragment --><h4><a class="anchor" id="autotoc_md9"></a>
3. Mixing Two Compositions</h4>
@@ -240,7 +240,7 @@ C++ Usage Examples</h3>
<div class="line"> std::cout &lt;&lt; <span class="stringliteral">&quot;50/50 Mix H-1: &quot;</span> &lt;&lt; mixed.<a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#ad20bd541dd7c45274a2e586e6a0519a7">getMassFraction</a>(<span class="stringliteral">&quot;H-1&quot;</span>) &lt;&lt; std::endl; <span class="comment">// -&gt; 0.5</span></div>
<div class="line"> std::cout &lt;&lt; <span class="stringliteral">&quot;75/25 Mix H-1: &quot;</span> &lt;&lt; mixed2.<a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#ad20bd541dd7c45274a2e586e6a0519a7">getMassFraction</a>(<span class="stringliteral">&quot;H-1&quot;</span>) &lt;&lt; std::endl; <span class="comment">// -&gt; 0.75</span></div>
<div class="line">}</div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a3aead72892606725a4149a5f65bd31ec"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a3aead72892606725a4149a5f65bd31ec">fourdst::composition::Composition::mix</a></div><div class="ttdeci">Composition mix(const Composition &amp;other, double fraction) const</div><div class="ttdoc">Mixes this composition with another to produce a new composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00473">composition.cpp:473</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a3aead72892606725a4149a5f65bd31ec"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a3aead72892606725a4149a5f65bd31ec">fourdst::composition::Composition::mix</a></div><div class="ttdeci">Composition mix(const Composition &amp;other, double fraction) const</div><div class="ttdoc">Mixes this composition with another to produce a new composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00498">composition.cpp:498</a></div></div>
</div><!-- fragment --><h4><a class="anchor" id="autotoc_md10"></a>
4. Error Handling</h4>
<p>The library uses exceptions to report errors. Always wrap calls in a <code>try-catch</code> block for robust code.</p>
@@ -286,7 +286,7 @@ C++ Usage Examples</h3>
<div class="line">}</div>
<div class="ttc" id="aatomic_species_8h_html"><div class="ttname"><a href="atomic_species_8h.html">atomicSpecies.h</a></div></div>
<div class="ttc" id="anamespacefourdst_1_1atomic_html_a3c09ded079905f8c355f9ea87b6b191f"><div class="ttname"><a href="namespacefourdst_1_1atomic.html#a3c09ded079905f8c355f9ea87b6b191f">fourdst::atomic::F_18</a></div><div class="ttdeci">static const Species F_18(&quot;F-18&quot;, &quot;F&quot;, 0, 9, 9, 18, 7631.6383, &quot;B-&quot;, -4444.5049, 6584.04, &quot;+&quot;, &quot;+=100&quot;, 18.000937324, 0.497)</div></div>
<div class="ttc" id="anamespacefourdst_1_1atomic_html_a3f619cc8f8b2cd718a4082c6adb0de90"><div class="ttname"><a href="namespacefourdst_1_1atomic.html#a3f619cc8f8b2cd718a4082c6adb0de90">fourdst::atomic::species</a></div><div class="ttdeci">static const std::unordered_map&lt; std::string, const Species &amp; &gt; species</div><div class="ttdef"><b>Definition</b> <a href="species_8h_source.html#l03580">species.h:3580</a></div></div>
<div class="ttc" id="anamespacefourdst_1_1atomic_html_a3f619cc8f8b2cd718a4082c6adb0de90"><div class="ttname"><a href="namespacefourdst_1_1atomic.html#a3f619cc8f8b2cd718a4082c6adb0de90">fourdst::atomic::species</a></div><div class="ttdeci">static const std::unordered_map&lt; std::string, const Species &amp; &gt; species</div><div class="ttdef"><b>Definition</b> <a href="species_8h_source.html#l03581">species.h:3581</a></div></div>
<div class="ttc" id="anamespacefourdst_1_1atomic_html_a6766bc834fd656df51bdcf22f7d97877"><div class="ttname"><a href="namespacefourdst_1_1atomic.html#a6766bc834fd656df51bdcf22f7d97877">fourdst::atomic::H_1</a></div><div class="ttdeci">static const Species H_1(&quot;H-1&quot;, &quot;H&quot;, -1, 0, 1, 1, 0.0, &quot;B-&quot;, std::numeric_limits&lt; double &gt;::quiet_NaN(), std::numeric_limits&lt; double &gt;::infinity(), &quot;/2+*&quot;, &quot;S=99.9855 78&quot;, 1.007825031898, 1.4e-05)</div></div>
<div class="ttc" id="aspecies_8h_html"><div class="ttname"><a href="species_8h.html">species.h</a></div></div>
</div><!-- fragment --><hr />