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<div id="projectbrief">General Purpose Nuclear Network</div>
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<a href="#pub-methods">Public Member Functions</a> &#124;
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<div class="headertitle"><div class="title">gridfire::Reaction Class Reference<span class="mlabels"><span class="mlabel abstract">abstract</span></span></div></div>
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<p>Represents a single nuclear reaction from a specific data source.
<a href="#details">More...</a></p>
<p><code>#include &lt;reaction.h&gt;</code></p>
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Inheritance diagram for gridfire::Reaction:</div>
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<table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a id="pub-methods" name="pub-methods"></a>
Public Member Functions</h2></td></tr>
<tr class="memitem:ab1860df84843be70f97469761e11ab6a" id="r_ab1860df84843be70f97469761e11ab6a"><td class="memItemLeft" align="right" valign="top">virtual&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#ab1860df84843be70f97469761e11ab6a">~Reaction</a> ()=default</td></tr>
<tr class="memdesc:ab1860df84843be70f97469761e11ab6a"><td class="mdescLeft">&#160;</td><td class="mdescRight">Virtual destructor for correct polymorphic cleanup. <br /></td></tr>
<tr class="separator:ab1860df84843be70f97469761e11ab6a"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:abb3e2b9c5404f45fc5656eeac1d06a6c" id="r_abb3e2b9c5404f45fc5656eeac1d06a6c"><td class="memItemLeft" align="right" valign="top">virtual double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#abb3e2b9c5404f45fc5656eeac1d06a6c">calculate_rate</a> (double T9, double rho, double Ye, double mue, const std::vector&lt; double &gt; &amp;Y, const std::unordered_map&lt; size_t, fourdst::atomic::Species &gt; &amp;index_to_species_map) const=0</td></tr>
<tr class="memdesc:abb3e2b9c5404f45fc5656eeac1d06a6c"><td class="mdescLeft">&#160;</td><td class="mdescRight">Compute the temperature- and composition-dependent reaction rate. <br /></td></tr>
<tr class="separator:abb3e2b9c5404f45fc5656eeac1d06a6c"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a8cbc768819bea8497a7b9fa644b8fd65" id="r_a8cbc768819bea8497a7b9fa644b8fd65"><td class="memItemLeft" align="right" valign="top">virtual CppAD::AD&lt; double &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a8cbc768819bea8497a7b9fa644b8fd65">calculate_rate</a> (CppAD::AD&lt; double &gt; T9, CppAD::AD&lt; double &gt; rho, CppAD::AD&lt; double &gt; Ye, CppAD::AD&lt; double &gt; mue, const std::vector&lt; CppAD::AD&lt; double &gt; &gt; &amp;Y, const std::unordered_map&lt; size_t, fourdst::atomic::Species &gt; &amp;index_to_species_map) const=0</td></tr>
<tr class="memdesc:a8cbc768819bea8497a7b9fa644b8fd65"><td class="mdescLeft">&#160;</td><td class="mdescRight">AD-enabled reaction rate for algorithmic differentiation. <br /></td></tr>
<tr class="separator:a8cbc768819bea8497a7b9fa644b8fd65"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a768329002a4f0b8604b1aa51d56b5d1b" id="r_a768329002a4f0b8604b1aa51d56b5d1b"><td class="memItemLeft" align="right" valign="top">virtual std::string_view&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a768329002a4f0b8604b1aa51d56b5d1b">id</a> () const=0</td></tr>
<tr class="memdesc:a768329002a4f0b8604b1aa51d56b5d1b"><td class="mdescLeft">&#160;</td><td class="mdescRight">A stable, unique identifier for this reaction instance. <br /></td></tr>
<tr class="separator:a768329002a4f0b8604b1aa51d56b5d1b"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a0c533797f18c2fe4945f1afb3fb06d5d" id="r_a0c533797f18c2fe4945f1afb3fb06d5d"><td class="memItemLeft" align="right" valign="top">virtual const std::vector&lt; fourdst::atomic::Species &gt; &amp;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a0c533797f18c2fe4945f1afb3fb06d5d">reactants</a> () const=0</td></tr>
<tr class="memdesc:a0c533797f18c2fe4945f1afb3fb06d5d"><td class="mdescLeft">&#160;</td><td class="mdescRight">Ordered list of reactant species. <br /></td></tr>
<tr class="separator:a0c533797f18c2fe4945f1afb3fb06d5d"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:ac2918935929030e8d218dc8d107a78f9" id="r_ac2918935929030e8d218dc8d107a78f9"><td class="memItemLeft" align="right" valign="top">virtual const std::vector&lt; fourdst::atomic::Species &gt; &amp;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#ac2918935929030e8d218dc8d107a78f9">products</a> () const=0</td></tr>
<tr class="memdesc:ac2918935929030e8d218dc8d107a78f9"><td class="mdescLeft">&#160;</td><td class="mdescRight">Ordered list of product species. <br /></td></tr>
<tr class="separator:ac2918935929030e8d218dc8d107a78f9"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:adaeb5d72faf7d55d4e26f6e1fcba21c1" id="r_adaeb5d72faf7d55d4e26f6e1fcba21c1"><td class="memItemLeft" align="right" valign="top">virtual bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#adaeb5d72faf7d55d4e26f6e1fcba21c1">contains</a> (const fourdst::atomic::Species &amp;species) const=0</td></tr>
<tr class="memdesc:adaeb5d72faf7d55d4e26f6e1fcba21c1"><td class="mdescLeft">&#160;</td><td class="mdescRight">True if the species appears as a reactant or a product. <br /></td></tr>
<tr class="separator:adaeb5d72faf7d55d4e26f6e1fcba21c1"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:afca3afba45a3db79980c8fe18c87c750" id="r_afca3afba45a3db79980c8fe18c87c750"><td class="memItemLeft" align="right" valign="top">virtual bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#afca3afba45a3db79980c8fe18c87c750">contains_reactant</a> (const fourdst::atomic::Species &amp;species) const=0</td></tr>
<tr class="memdesc:afca3afba45a3db79980c8fe18c87c750"><td class="mdescLeft">&#160;</td><td class="mdescRight">True if the species appears among the reactants. <br /></td></tr>
<tr class="separator:afca3afba45a3db79980c8fe18c87c750"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a5a17ca61d069749960e5a83e58c0b8a1" id="r_a5a17ca61d069749960e5a83e58c0b8a1"><td class="memItemLeft" align="right" valign="top">virtual bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a5a17ca61d069749960e5a83e58c0b8a1">contains_product</a> (const fourdst::atomic::Species &amp;species) const=0</td></tr>
<tr class="memdesc:a5a17ca61d069749960e5a83e58c0b8a1"><td class="mdescLeft">&#160;</td><td class="mdescRight">True if the species appears among the products. <br /></td></tr>
<tr class="separator:a5a17ca61d069749960e5a83e58c0b8a1"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a640b0bdbed9ed7c2a2e9880ddbcafc1d" id="r_a640b0bdbed9ed7c2a2e9880ddbcafc1d"><td class="memItemLeft" align="right" valign="top">virtual bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a640b0bdbed9ed7c2a2e9880ddbcafc1d">is_reverse</a> () const=0</td></tr>
<tr class="memdesc:a640b0bdbed9ed7c2a2e9880ddbcafc1d"><td class="mdescLeft">&#160;</td><td class="mdescRight">Whether this object represents a reverse (backward) rate. <br /></td></tr>
<tr class="separator:a640b0bdbed9ed7c2a2e9880ddbcafc1d"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:ace0b2bee91702e0ab97b6fc74999d6f0" id="r_ace0b2bee91702e0ab97b6fc74999d6f0"><td class="memItemLeft" align="right" valign="top">virtual std::unordered_set&lt; fourdst::atomic::Species &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#ace0b2bee91702e0ab97b6fc74999d6f0">all_species</a> () const=0</td></tr>
<tr class="memdesc:ace0b2bee91702e0ab97b6fc74999d6f0"><td class="mdescLeft">&#160;</td><td class="mdescRight">Set of all unique species appearing in the reaction. <br /></td></tr>
<tr class="separator:ace0b2bee91702e0ab97b6fc74999d6f0"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a4be8440aa7e79eab1d44b5d83bcdab79" id="r_a4be8440aa7e79eab1d44b5d83bcdab79"><td class="memItemLeft" align="right" valign="top">virtual std::unordered_set&lt; fourdst::atomic::Species &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a4be8440aa7e79eab1d44b5d83bcdab79">reactant_species</a> () const=0</td></tr>
<tr class="memdesc:a4be8440aa7e79eab1d44b5d83bcdab79"><td class="mdescLeft">&#160;</td><td class="mdescRight">Set of unique reactant species. <br /></td></tr>
<tr class="separator:a4be8440aa7e79eab1d44b5d83bcdab79"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:ac2306d841bad605b7c9ae104397cec0f" id="r_ac2306d841bad605b7c9ae104397cec0f"><td class="memItemLeft" align="right" valign="top">virtual std::unordered_set&lt; fourdst::atomic::Species &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#ac2306d841bad605b7c9ae104397cec0f">product_species</a> () const=0</td></tr>
<tr class="memdesc:ac2306d841bad605b7c9ae104397cec0f"><td class="mdescLeft">&#160;</td><td class="mdescRight">Set of unique product species. <br /></td></tr>
<tr class="separator:ac2306d841bad605b7c9ae104397cec0f"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a348aae35a6c82194ef5387278419e0e6" id="r_a348aae35a6c82194ef5387278419e0e6"><td class="memItemLeft" align="right" valign="top">virtual size_t&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a348aae35a6c82194ef5387278419e0e6">num_species</a> () const=0</td></tr>
<tr class="memdesc:a348aae35a6c82194ef5387278419e0e6"><td class="mdescLeft">&#160;</td><td class="mdescRight">Number of unique species involved in the reaction. <br /></td></tr>
<tr class="separator:a348aae35a6c82194ef5387278419e0e6"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a55b7f61d9bde45f2ca485c1b07a05950" id="r_a55b7f61d9bde45f2ca485c1b07a05950"><td class="memItemLeft" align="right" valign="top">virtual std::unordered_map&lt; fourdst::atomic::Species, int &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a55b7f61d9bde45f2ca485c1b07a05950">stoichiometry</a> () const=0</td></tr>
<tr class="memdesc:a55b7f61d9bde45f2ca485c1b07a05950"><td class="mdescLeft">&#160;</td><td class="mdescRight">Full stoichiometry map for this reaction. <br /></td></tr>
<tr class="separator:a55b7f61d9bde45f2ca485c1b07a05950"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:af0a893603aa88f7d7d205b9b969af487" id="r_af0a893603aa88f7d7d205b9b969af487"><td class="memItemLeft" align="right" valign="top">virtual int&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#af0a893603aa88f7d7d205b9b969af487">stoichiometry</a> (const fourdst::atomic::Species &amp;species) const=0</td></tr>
<tr class="memdesc:af0a893603aa88f7d7d205b9b969af487"><td class="mdescLeft">&#160;</td><td class="mdescRight">Stoichiometric coefficient for a particular species. <br /></td></tr>
<tr class="separator:af0a893603aa88f7d7d205b9b969af487"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a41b1c16f499c9255251ed43725cf698c" id="r_a41b1c16f499c9255251ed43725cf698c"><td class="memItemLeft" align="right" valign="top">virtual uint64_t&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a41b1c16f499c9255251ed43725cf698c">hash</a> (uint64_t seed) const=0</td></tr>
<tr class="memdesc:a41b1c16f499c9255251ed43725cf698c"><td class="mdescLeft">&#160;</td><td class="mdescRight">Stable content-based hash for this reaction. <br /></td></tr>
<tr class="separator:a41b1c16f499c9255251ed43725cf698c"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a11c714febaf818f1d4d6c19a064d707e" id="r_a11c714febaf818f1d4d6c19a064d707e"><td class="memItemLeft" align="right" valign="top">virtual double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a11c714febaf818f1d4d6c19a064d707e">qValue</a> () const=0</td></tr>
<tr class="memdesc:a11c714febaf818f1d4d6c19a064d707e"><td class="mdescLeft">&#160;</td><td class="mdescRight">Q-value of the reaction (typically MeV), positive if exothermic. <br /></td></tr>
<tr class="separator:a11c714febaf818f1d4d6c19a064d707e"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:ae66b446c98add7e00a1d960f4e7c60dd" id="r_ae66b446c98add7e00a1d960f4e7c60dd"><td class="memItemLeft" align="right" valign="top">virtual double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#ae66b446c98add7e00a1d960f4e7c60dd">calculate_energy_generation_rate</a> (const double T9, const double rho, const double Ye, double mue, const std::vector&lt; double &gt; &amp;Y, const std::unordered_map&lt; size_t, fourdst::atomic::Species &gt; &amp;index_to_species_map) const</td></tr>
<tr class="memdesc:ae66b446c98add7e00a1d960f4e7c60dd"><td class="mdescLeft">&#160;</td><td class="mdescRight">Convenience: energy generation rate from this reaction (double version). <br /></td></tr>
<tr class="separator:ae66b446c98add7e00a1d960f4e7c60dd"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a4282f85c34d6db1994c07e7a40f66d80" id="r_a4282f85c34d6db1994c07e7a40f66d80"><td class="memItemLeft" align="right" valign="top">virtual CppAD::AD&lt; double &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a4282f85c34d6db1994c07e7a40f66d80">calculate_energy_generation_rate</a> (const CppAD::AD&lt; double &gt; &amp;T9, const CppAD::AD&lt; double &gt; &amp;rho, const CppAD::AD&lt; double &gt; &amp;Ye, const CppAD::AD&lt; double &gt; &amp;mue, const std::vector&lt; CppAD::AD&lt; double &gt; &gt; &amp;Y, const std::unordered_map&lt; size_t, fourdst::atomic::Species &gt; &amp;index_to_species_map) const</td></tr>
<tr class="memdesc:a4282f85c34d6db1994c07e7a40f66d80"><td class="mdescLeft">&#160;</td><td class="mdescRight">Convenience: AD-enabled energy generation rate (AD version). <br /></td></tr>
<tr class="separator:a4282f85c34d6db1994c07e7a40f66d80"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:aec9859c030364e1d4a740197514731db" id="r_aec9859c030364e1d4a740197514731db"><td class="memItemLeft" align="right" valign="top">virtual double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#aec9859c030364e1d4a740197514731db">calculate_log_rate_partial_deriv_wrt_T9</a> (double T9, double rho, double Ye, double mue, const fourdst::composition::Composition &amp;comp) const=0</td></tr>
<tr class="memdesc:aec9859c030364e1d4a740197514731db"><td class="mdescLeft">&#160;</td><td class="mdescRight">Logarithmic partial derivative of the rate with respect to temperature. <br /></td></tr>
<tr class="separator:aec9859c030364e1d4a740197514731db"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a186856dc2ce85d8cc4db43c7164b6afa" id="r_a186856dc2ce85d8cc4db43c7164b6afa"><td class="memItemLeft" align="right" valign="top">virtual <a class="el" href="namespacegridfire_1_1reaction.html#a026997f11e811fa7754ac9121c4ba74e">ReactionType</a>&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a186856dc2ce85d8cc4db43c7164b6afa">type</a> () const=0</td></tr>
<tr class="memdesc:a186856dc2ce85d8cc4db43c7164b6afa"><td class="mdescLeft">&#160;</td><td class="mdescRight">Category of this reaction (e.g., REACLIB, WEAK, LOGICAL_REACLIB). <br /></td></tr>
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<tr class="memitem:a588a8c19970463d97f5aa333fcd312dc" id="r_a588a8c19970463d97f5aa333fcd312dc"><td class="memItemLeft" align="right" valign="top">virtual std::unique_ptr&lt; <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html">Reaction</a> &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a588a8c19970463d97f5aa333fcd312dc">clone</a> () const=0</td></tr>
<tr class="memdesc:a588a8c19970463d97f5aa333fcd312dc"><td class="mdescLeft">&#160;</td><td class="mdescRight">Polymorphic deep copy. <br /></td></tr>
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<tr class="memitem:a5580701c64abce60b0253e79ffac3d88" id="r_a5580701c64abce60b0253e79ffac3d88"><td class="memItemLeft" align="right" valign="top">virtual std::optional&lt; std::vector&lt; RateCoefficientSet &gt; &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a5580701c64abce60b0253e79ffac3d88">getRateCoefficients</a> () const=0</td></tr>
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<tr class="heading"><td colspan="2"><h2 class="groupheader"><a id="friends" name="friends"></a>
Friends</h2></td></tr>
<tr class="memitem:a2b05ab608187216fc751bd2e42e8b7d8" id="r_a2b05ab608187216fc751bd2e42e8b7d8"><td class="memItemLeft" align="right" valign="top">std::ostream &amp;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a2b05ab608187216fc751bd2e42e8b7d8">operator&lt;&lt;</a> (std::ostream &amp;os, const <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html">Reaction</a> &amp;r)</td></tr>
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<a name="details" id="details"></a><h2 class="groupheader">Detailed Description</h2>
<div class="textblock"><p>Represents a single nuclear reaction from a specific data source. </p>
<p>This class encapsulates all properties of a single nuclear reaction as defined in formats like REACLIB, including reactants, products, Q-value, and rate coefficients from a particular evaluation (source).</p>
<p>Example: </p><div class="fragment"><div class="line"><span class="comment">// Assuming species and rate coefficients are defined</span></div>
<div class="line"><a class="code hl_class" href="classgridfire_1_1reaction_1_1_reaction.html">Reaction</a> p_gamma_d(</div>
<div class="line"> <span class="stringliteral">&quot;H_1_H_1_to_H_2&quot;</span>, <span class="stringliteral">&quot;p(p,g)d&quot;</span>, 1, {H_1, H_1}, {H_2}, 5.493, <span class="stringliteral">&quot;st08&quot;</span>, rate_coeffs</div>
<div class="line">);</div>
<div class="line"><span class="keywordtype">double</span> rate = p_gamma_d.<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a83c121480533593adfd68c4a67a649f1">calculate_rate</a>(0.1); <span class="comment">// T9 = 0.1</span></div>
<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html">gridfire::reaction::Reaction</a></div><div class="ttdoc">Represents a single nuclear reaction from a specific data source.</div><div class="ttdef"><b>Definition</b> reaction.h:92</div></div>
<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a83c121480533593adfd68c4a67a649f1"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a83c121480533593adfd68c4a67a649f1">gridfire::reaction::Reaction::calculate_rate</a></div><div class="ttdeci">virtual double calculate_rate(double T9, double rho, double Ye, double mue, const std::vector&lt; double &gt; &amp;Y, const std::unordered_map&lt; size_t, fourdst::atomic::Species &gt; &amp;index_to_species_map) const =0</div><div class="ttdoc">Compute the temperature- and composition-dependent reaction rate.</div></div>
</div><!-- fragment --> </div><h2 class="groupheader">Constructor &amp; Destructor Documentation</h2>
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<h2 class="memtitle"><span class="permalink"><a href="#ab1860df84843be70f97469761e11ab6a">&#9670;&#160;</a></span>~Reaction()</h2>
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<td class="memname">virtual gridfire::reaction::Reaction::~Reaction </td>
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<td class="paramname"><span class="paramname"><em></em></span></td><td>)</td>
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<p>Virtual destructor for correct polymorphic cleanup. </p>
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<h2 class="groupheader">Member Function Documentation</h2>
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<h2 class="memtitle"><span class="permalink"><a href="#ace0b2bee91702e0ab97b6fc74999d6f0">&#9670;&#160;</a></span>all_species()</h2>
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<td class="memname">virtual std::unordered_set&lt; fourdst::atomic::Species &gt; gridfire::reaction::Reaction::all_species </td>
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<p>Set of all unique species appearing in the reaction. </p>
<dl class="section return"><dt>Returns</dt><dd>Unordered set of all reactants and products (no duplicates). </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a4282f85c34d6db1994c07e7a40f66d80">&#9670;&#160;</a></span>calculate_energy_generation_rate() <span class="overload">[1/2]</span></h2>
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<td class="memname">virtual CppAD::AD&lt; double &gt; gridfire::reaction::Reaction::calculate_energy_generation_rate </td>
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<td class="paramtype">const CppAD::AD&lt; double &gt; &amp;</td> <td class="paramname"><span class="paramname"><em>T9</em></span>, </td>
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<td class="paramtype">const CppAD::AD&lt; double &gt; &amp;</td> <td class="paramname"><span class="paramname"><em>rho</em></span>, </td>
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<td class="paramtype">const CppAD::AD&lt; double &gt; &amp;</td> <td class="paramname"><span class="paramname"><em>Ye</em></span>, </td>
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<td class="paramtype">const CppAD::AD&lt; double &gt; &amp;</td> <td class="paramname"><span class="paramname"><em>mue</em></span>, </td>
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<td class="paramtype">const std::vector&lt; CppAD::AD&lt; double &gt; &gt; &amp;</td> <td class="paramname"><span class="paramname"><em>Y</em></span>, </td>
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<td class="paramtype">const std::unordered_map&lt; size_t, fourdst::atomic::Species &gt; &amp;</td> <td class="paramname"><span class="paramname"><em>index_to_species_map</em></span>&#160;) const</td>
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<p>Convenience: AD-enabled energy generation rate (AD version). </p>
<p>Default implementation multiplies the AD rate by the reaction Q-value. Electron quantities (Ye, mue) are ignored in this default, so override if they contribute.</p>
<dl class="params"><dt>Parameters</dt><dd>
<table class="params">
<tr><td class="paramname">T9</td><td>Temperature in GK as CppAD::AD&lt;double&gt;. </td></tr>
<tr><td class="paramname">rho</td><td>Mass density as CppAD::AD&lt;double&gt;. </td></tr>
<tr><td class="paramname">Ye</td><td>Electron fraction as CppAD::AD&lt;double&gt; (ignored by default). </td></tr>
<tr><td class="paramname">mue</td><td>Electron chemical potential as CppAD::AD&lt;double&gt; (ignored by default). </td></tr>
<tr><td class="paramname">Y</td><td>Composition vector as CppAD::AD&lt;double&gt; values. </td></tr>
<tr><td class="paramname">index_to_species_map</td><td>Mapping from state-vector index to Species. </td></tr>
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</dd>
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<dl class="section return"><dt>Returns</dt><dd>Energy generation rate as CppAD::AD&lt;double&gt;. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#ae66b446c98add7e00a1d960f4e7c60dd">&#9670;&#160;</a></span>calculate_energy_generation_rate() <span class="overload">[2/2]</span></h2>
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<td class="memname">virtual double gridfire::reaction::Reaction::calculate_energy_generation_rate </td>
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<td class="paramtype">const double</td> <td class="paramname"><span class="paramname"><em>T9</em></span>, </td>
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<td class="paramtype">const double</td> <td class="paramname"><span class="paramname"><em>Ye</em></span>, </td>
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<p>Convenience: energy generation rate from this reaction (double version). </p>
<p>Default implementation multiplies the scalar rate by the reaction Q-value. Electron quantities (Ye, mue) are ignored in this default, so override in derived classes if needed. Sign convention follows <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#a7e06936f9e8bb74e68eaa10e708e5d3c" title="Q-value of the reaction (typically MeV), positive if exothermic.">qValue()</a>.</p>
<dl class="params"><dt>Parameters</dt><dd>
<table class="params">
<tr><td class="paramname">T9</td><td>Temperature in GK (10^9 K). </td></tr>
<tr><td class="paramname">rho</td><td>Mass density (g cm^-3). </td></tr>
<tr><td class="paramname">Ye</td><td>Electron fraction (ignored by default implementation). </td></tr>
<tr><td class="paramname">mue</td><td>Electron chemical potential (ignored by default implementation). </td></tr>
<tr><td class="paramname">Y</td><td>Composition vector. </td></tr>
<tr><td class="paramname">index_to_species_map</td><td>Mapping from state-vector index to Species. </td></tr>
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</dd>
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<dl class="section return"><dt>Returns</dt><dd>Energy generation rate, typically rate * <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#a7e06936f9e8bb74e68eaa10e708e5d3c" title="Q-value of the reaction (typically MeV), positive if exothermic.">qValue()</a>. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#aec9859c030364e1d4a740197514731db">&#9670;&#160;</a></span>calculate_log_rate_partial_deriv_wrt_T9()</h2>
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<td class="memname">virtual double gridfire::reaction::Reaction::calculate_log_rate_partial_deriv_wrt_T9 </td>
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<p>Logarithmic partial derivative of the rate with respect to temperature. </p>
<p>Implementations return d(ln rate)/d(ln T9) or an equivalent measure (as documented by the concrete class), evaluated at the provided state.</p>
<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">T9</td><td>Temperature in GK (10^9 K). </td></tr>
<tr><td class="paramname">rho</td><td>Mass density (g cm^-3). </td></tr>
<tr><td class="paramname">Ye</td><td>Electron fraction. </td></tr>
<tr><td class="paramname">mue</td><td>Electron chemical potential. </td></tr>
<tr><td class="paramname">comp</td><td>Composition object providing composition in a convenient form. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The logarithmic temperature derivative of the rate. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a8cbc768819bea8497a7b9fa644b8fd65">&#9670;&#160;</a></span>calculate_rate() <span class="overload">[1/2]</span></h2>
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<td class="memname">virtual CppAD::AD&lt; double &gt; gridfire::reaction::Reaction::calculate_rate </td>
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<td class="paramtype">const std::vector&lt; CppAD::AD&lt; double &gt; &gt; &amp;</td> <td class="paramname"><span class="paramname"><em>Y</em></span>, </td>
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<p>AD-enabled reaction rate for algorithmic differentiation. </p>
<p>This overload mirrors calculate_rate(double, ...) but operates on CppAD types to enable derivative calculations w.r.t. its inputs.</p>
<dl class="params"><dt>Parameters</dt><dd>
<table class="params">
<tr><td class="paramname">T9</td><td>Temperature in GK as CppAD::AD&lt;double&gt;. </td></tr>
<tr><td class="paramname">rho</td><td>Mass density as CppAD::AD&lt;double&gt;. </td></tr>
<tr><td class="paramname">Ye</td><td>Electron fraction as CppAD::AD&lt;double&gt;. </td></tr>
<tr><td class="paramname">mue</td><td>Electron chemical potential as CppAD::AD&lt;double&gt;. </td></tr>
<tr><td class="paramname">Y</td><td>Composition vector as CppAD::AD&lt;double&gt; values. </td></tr>
<tr><td class="paramname">index_to_species_map</td><td>Mapping from state-vector index to Species, used to interpret Y. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The reaction rate as a CppAD::AD&lt;double&gt; value. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#abb3e2b9c5404f45fc5656eeac1d06a6c">&#9670;&#160;</a></span>calculate_rate() <span class="overload">[2/2]</span></h2>
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<td class="memname">virtual double gridfire::reaction::Reaction::calculate_rate </td>
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<p>Compute the temperature- and composition-dependent reaction rate. </p>
<p>This is the primary interface used by the network to obtain the rate of a single reaction at the given thermodynamic state and composition. The exact units and normalization are defined by the concrete implementation (e.g., REACLIB typically provides NA&lt;sigma v&gt; with units depending on the reaction order). Implementations may use density/electron properties for weak processes or screening, and the composition vector for multi-body reactions.</p>
<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">T9</td><td>Temperature in GK (10^9 K). </td></tr>
<tr><td class="paramname">rho</td><td>Mass density (g cm^-3). May be unused for some reaction types. </td></tr>
<tr><td class="paramname">Ye</td><td>Electron fraction. May be unused depending on the reaction type. </td></tr>
<tr><td class="paramname">mue</td><td>Electron chemical potential. May be unused depending on the reaction type. </td></tr>
<tr><td class="paramname">Y</td><td>Composition vector (molar abundances or number fractions) indexed consistently with index_to_species_map. </td></tr>
<tr><td class="paramname">index_to_species_map</td><td>Mapping from state-vector index to Species, used to interpret Y. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The reaction rate for the forward direction, with units/normalization defined by the specific model (implementation must document its convention). </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a588a8c19970463d97f5aa333fcd312dc">&#9670;&#160;</a></span>clone()</h2>
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<td class="memname">virtual std::unique_ptr&lt; <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html">Reaction</a> &gt; gridfire::reaction::Reaction::clone </td>
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<p>Polymorphic deep copy. </p>
<dl class="section return"><dt>Returns</dt><dd>A std::unique_ptr owning a new <a class="el" href="classgridfire_1_1_reaction.html" title="Represents a single nuclear reaction from a specific data source.">Reaction</a> equal to this one. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#adaeb5d72faf7d55d4e26f6e1fcba21c1">&#9670;&#160;</a></span>contains()</h2>
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<td class="memname">virtual bool gridfire::reaction::Reaction::contains </td>
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<td class="paramtype">const fourdst::atomic::Species &amp;</td> <td class="paramname"><span class="paramname"><em>species</em></span></td><td>)</td>
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<p>True if the species appears as a reactant or a product. </p>
<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">species</td><td>Species to test. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>Whether the species participates in the reaction (either side). </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a5a17ca61d069749960e5a83e58c0b8a1">&#9670;&#160;</a></span>contains_product()</h2>
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<td class="memname">virtual bool gridfire::reaction::Reaction::contains_product </td>
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<td class="paramtype">const fourdst::atomic::Species &amp;</td> <td class="paramname"><span class="paramname"><em>species</em></span></td><td>)</td>
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<p>True if the species appears among the products. </p>
<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">species</td><td>Species to test. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>Whether the species is a product. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#afca3afba45a3db79980c8fe18c87c750">&#9670;&#160;</a></span>contains_reactant()</h2>
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<td class="memname">virtual bool gridfire::reaction::Reaction::contains_reactant </td>
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<p>True if the species appears among the reactants. </p>
<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">species</td><td>Species to test. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>Whether the species is a reactant. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a5580701c64abce60b0253e79ffac3d88">&#9670;&#160;</a></span>getRateCoefficients()</h2>
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<td class="memname">virtual std::optional&lt; std::vector&lt; RateCoefficientSet &gt; &gt; gridfire::reaction::Reaction::getRateCoefficients </td>
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<h2 class="memtitle"><span class="permalink"><a href="#a41b1c16f499c9255251ed43725cf698c">&#9670;&#160;</a></span>hash()</h2>
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<td class="memname">virtual uint64_t gridfire::reaction::Reaction::hash </td>
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<p>Stable content-based hash for this reaction. </p>
<p>Intended for use in caches, sets, and order-independent hashing of <a class="el" href="classgridfire_1_1_reaction.html" title="Represents a single nuclear reaction from a specific data source.">Reaction</a> collections. Implementations should produce the same value across processes for the same content and seed. </p><dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">seed</td><td>Seed value to initialize/mix into the hash. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>64-bit hash value. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a768329002a4f0b8604b1aa51d56b5d1b">&#9670;&#160;</a></span>id()</h2>
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<td class="memname">virtual std::string_view gridfire::reaction::Reaction::id </td>
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<p>A stable, unique identifier for this reaction instance. </p>
<dl class="section return"><dt>Returns</dt><dd>String view of the reaction ID (stable across runs and suitable for lookups). </dd></dl>
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<td class="memname">virtual bool gridfire::reaction::Reaction::is_reverse </td>
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<p>Whether this object represents a reverse (backward) rate. </p>
<p>Implementations may pair forward/reverse rates for detailed balance. This flag indicates that the parameterization corresponds to the reverse direction. </p><dl class="section return"><dt>Returns</dt><dd>True for a reverse rate, false for a forward rate. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a348aae35a6c82194ef5387278419e0e6">&#9670;&#160;</a></span>num_species()</h2>
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<td class="memname">virtual size_t gridfire::reaction::Reaction::num_species </td>
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<p>Number of unique species involved in the reaction. </p>
<dl class="section return"><dt>Returns</dt><dd>Count of distinct species across reactants and products. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#ac2306d841bad605b7c9ae104397cec0f">&#9670;&#160;</a></span>product_species()</h2>
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<td class="memname">virtual std::unordered_set&lt; fourdst::atomic::Species &gt; gridfire::reaction::Reaction::product_species </td>
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<p>Set of unique product species. </p>
<dl class="section return"><dt>Returns</dt><dd>Unordered set of product species (no duplicates). </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#ac2918935929030e8d218dc8d107a78f9">&#9670;&#160;</a></span>products()</h2>
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<td class="memname">virtual const std::vector&lt; fourdst::atomic::Species &gt; &amp; gridfire::reaction::Reaction::products </td>
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<td> const</td>
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<p>Ordered list of product species. </p>
<p>Multiplicity is represented by duplicates if applicable. </p><dl class="section return"><dt>Returns</dt><dd>Const reference to the vector of products. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a11c714febaf818f1d4d6c19a064d707e">&#9670;&#160;</a></span>qValue()</h2>
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<td class="memname">virtual double gridfire::reaction::Reaction::qValue </td>
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<p>Q-value of the reaction (typically MeV), positive if exothermic. </p>
<dl class="section return"><dt>Returns</dt><dd><a class="el" href="classgridfire_1_1_reaction.html" title="Represents a single nuclear reaction from a specific data source.">Reaction</a> Q-value used for energy accounting. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a4be8440aa7e79eab1d44b5d83bcdab79">&#9670;&#160;</a></span>reactant_species()</h2>
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<td class="memname">virtual std::unordered_set&lt; fourdst::atomic::Species &gt; gridfire::reaction::Reaction::reactant_species </td>
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<td> const</td>
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<p>Set of unique reactant species. </p>
<dl class="section return"><dt>Returns</dt><dd>Unordered set of reactant species (no duplicates). </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a0c533797f18c2fe4945f1afb3fb06d5d">&#9670;&#160;</a></span>reactants()</h2>
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<td class="memname">virtual const std::vector&lt; fourdst::atomic::Species &gt; &amp; gridfire::reaction::Reaction::reactants </td>
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<td> const</td>
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<p>Ordered list of reactant species. </p>
<p>Multiplicity is represented by duplicates, e.g., (p, p) would list H1 twice. </p><dl class="section return"><dt>Returns</dt><dd>Const reference to the vector of reactants. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a55b7f61d9bde45f2ca485c1b07a05950">&#9670;&#160;</a></span>stoichiometry() <span class="overload">[1/2]</span></h2>
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<td class="memname">virtual std::unordered_map&lt; fourdst::atomic::Species, int &gt; gridfire::reaction::Reaction::stoichiometry </td>
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<p>Full stoichiometry map for this reaction. </p>
<p>Coefficients are negative for reactants and positive for products; multiplicity is reflected in the magnitude (e.g., 2H -&gt; He gives H: -2, He: +1). </p><dl class="section return"><dt>Returns</dt><dd>Map from Species to integer stoichiometric coefficient. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#af0a893603aa88f7d7d205b9b969af487">&#9670;&#160;</a></span>stoichiometry() <span class="overload">[2/2]</span></h2>
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<td class="memname">virtual int gridfire::reaction::Reaction::stoichiometry </td>
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<td class="paramtype">const fourdst::atomic::Species &amp;</td> <td class="paramname"><span class="paramname"><em>species</em></span></td><td>)</td>
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<p>Stoichiometric coefficient for a particular species. </p>
<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">species</td><td>Species for which to query the coefficient. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>Negative for reactants, positive for products, zero if absent. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a186856dc2ce85d8cc4db43c7164b6afa">&#9670;&#160;</a></span>type()</h2>
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<td class="memname">virtual <a class="el" href="namespacegridfire_1_1reaction.html#a026997f11e811fa7754ac9121c4ba74e">ReactionType</a> gridfire::reaction::Reaction::type </td>
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<p>Category of this reaction (e.g., REACLIB, WEAK, LOGICAL_REACLIB). </p>
<dl class="section return"><dt>Returns</dt><dd>Enumerated reaction type for runtime dispatch and filtering. </dd></dl>
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<h2 class="groupheader">Friends And Related Symbol Documentation</h2>
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<h2 class="memtitle"><span class="permalink"><a href="#a2b05ab608187216fc751bd2e42e8b7d8">&#9670;&#160;</a></span>operator&lt;&lt;</h2>
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<td class="memname">std::ostream &amp; operator&lt;&lt; </td>
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<span class="mlabels"><span class="mlabel friend">friend</span></span> </td>
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<hr/>The documentation for this class was generated from the following file:<ul>
<li>src/include/gridfire/reaction/<a class="el" href="reaction_8h.html">reaction.h</a></li>
</ul>
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