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<div id="projectname">GridFire<span id="projectnumber"> 0.0.1a</span>
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<div id="projectbrief">General Purpose Nuclear Network</div>
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<div class="headertitle"><div class="title">reaction.cpp</div></div>
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<a href="reaction_8cpp.html">Go to the documentation of this file.</a><div class="fragment"><div class="line"><a id="l00001" name="l00001"></a><span class="lineno"> 1</span><span class="preprocessor">#include "<a class="code" href="reaction_8h.html">gridfire/reaction/reaction.h</a>"</span></div>
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<div class="line"><a id="l00002" name="l00002"></a><span class="lineno"> 2</span> </div>
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<div class="line"><a id="l00003" name="l00003"></a><span class="lineno"> 3</span><span class="preprocessor">#include<string_view></span></div>
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<div class="line"><a id="l00004" name="l00004"></a><span class="lineno"> 4</span><span class="preprocessor">#include<string></span></div>
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<div class="line"><a id="l00005" name="l00005"></a><span class="lineno"> 5</span><span class="preprocessor">#include<vector></span></div>
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<div class="line"><a id="l00006" name="l00006"></a><span class="lineno"> 6</span><span class="preprocessor">#include<unordered_set></span></div>
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<div class="line"><a id="l00007" name="l00007"></a><span class="lineno"> 7</span><span class="preprocessor">#include<algorithm></span></div>
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<div class="line"><a id="l00008" name="l00008"></a><span class="lineno"> 8</span><span class="preprocessor">#include <ranges></span></div>
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<div class="line"><a id="l00009" name="l00009"></a><span class="lineno"> 9</span> </div>
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<div class="line"><a id="l00010" name="l00010"></a><span class="lineno"> 10</span><span class="preprocessor">#include "quill/LogMacros.h"</span></div>
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<div class="line"><a id="l00011" name="l00011"></a><span class="lineno"> 11</span> </div>
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<div class="line"><a id="l00012" name="l00012"></a><span class="lineno"> 12</span><span class="preprocessor">#include "fourdst/composition/atomicSpecies.h"</span></div>
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<div class="line"><a id="l00013" name="l00013"></a><span class="lineno"> 13</span> </div>
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<div class="line"><a id="l00014" name="l00014"></a><span class="lineno"> 14</span><span class="preprocessor">#include "xxhash64.h"</span></div>
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<div class="line"><a id="l00015" name="l00015"></a><span class="lineno"> 15</span> </div>
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<div class="line"><a id="l00016" name="l00016"></a><span class="lineno"> 16</span><span class="keyword">namespace </span><a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">gridfire::reaction</a> {</div>
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<div class="line"><a id="l00017" name="l00017"></a><span class="lineno"> 17</span> <span class="keyword">using namespace </span>fourdst::atomic;</div>
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<div class="line"><a id="l00018" name="l00018"></a><span class="lineno"> 18</span> </div>
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<div class="foldopen" id="foldopen00019" data-start="{" data-end="}">
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<div class="line"><a id="l00019" name="l00019"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#a7dff19d387e771d96c26e98d75ee9d5c"> 19</a></span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a7dff19d387e771d96c26e98d75ee9d5c">Reaction::Reaction</a>(</div>
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<div class="line"><a id="l00020" name="l00020"></a><span class="lineno"> 20</span> <span class="keyword">const</span> std::string_view <span class="keywordtype">id</span>,</div>
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<div class="line"><a id="l00021" name="l00021"></a><span class="lineno"> 21</span> <span class="keyword">const</span> std::string_view <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a78f42664cc957e266b6cf15fda09be97">peName</a>,</div>
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<div class="line"><a id="l00022" name="l00022"></a><span class="lineno"> 22</span> <span class="keyword">const</span> <span class="keywordtype">int</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a5cb438adfefb640e4bc58e09053bd629">chapter</a>,</div>
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<div class="line"><a id="l00023" name="l00023"></a><span class="lineno"> 23</span> <span class="keyword">const</span> std::vector<Species>& <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>,</div>
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<div class="line"><a id="l00024" name="l00024"></a><span class="lineno"> 24</span> <span class="keyword">const</span> std::vector<Species>& <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a6e2ff61b9e8409f2a561663628b8ce02">products</a>,</div>
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<div class="line"><a id="l00025" name="l00025"></a><span class="lineno"> 25</span> <span class="keyword">const</span> <span class="keywordtype">double</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#abda0b4e4313e6d4ba57acf37d5976fb8">qValue</a>,</div>
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<div class="line"><a id="l00026" name="l00026"></a><span class="lineno"> 26</span> <span class="keyword">const</span> std::string_view label,</div>
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<div class="line"><a id="l00027" name="l00027"></a><span class="lineno"> 27</span> <span class="keyword">const</span> <a class="code hl_struct" href="structgridfire_1_1reaction_1_1_rate_coefficient_set.html">RateCoefficientSet</a>& sets,</div>
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<div class="line"><a id="l00028" name="l00028"></a><span class="lineno"> 28</span> <span class="keyword">const</span> <span class="keywordtype">bool</span> reverse) :</div>
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<div class="line"><a id="l00029" name="l00029"></a><span class="lineno"> 29</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b">m_id</a>(<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a084c38181408ed5e6fa2a2dd4d0ec905">id</a>),</div>
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<div class="line"><a id="l00030" name="l00030"></a><span class="lineno"> 30</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a6124aa9fc2306349e1dd879a37923248">m_peName</a>(<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a78f42664cc957e266b6cf15fda09be97">peName</a>),</div>
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<div class="line"><a id="l00031" name="l00031"></a><span class="lineno"> 31</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a16f9cbb6269817099d3dc07d4e63da7b">m_chapter</a>(<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a5cb438adfefb640e4bc58e09053bd629">chapter</a>),</div>
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<div class="line"><a id="l00032" name="l00032"></a><span class="lineno"> 32</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b">m_qValue</a>(<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#abda0b4e4313e6d4ba57acf37d5976fb8">qValue</a>),</div>
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<div class="line"><a id="l00033" name="l00033"></a><span class="lineno"> 33</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11">m_reactants</a>(<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>),</div>
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<div class="line"><a id="l00034" name="l00034"></a><span class="lineno"> 34</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e">m_products</a>(<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a6e2ff61b9e8409f2a561663628b8ce02">products</a>),</div>
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<div class="line"><a id="l00035" name="l00035"></a><span class="lineno"> 35</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a0185c6be5465d113f25e00aee1297cd6">m_sourceLabel</a>(label),</div>
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<div class="line"><a id="l00036" name="l00036"></a><span class="lineno"> 36</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72">m_rateCoefficients</a>(sets),</div>
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<div class="line"><a id="l00037" name="l00037"></a><span class="lineno"> 37</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a0b0b9ac498080aae91ffd466d1ae85a9">m_reverse</a>(reverse) {}</div>
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</div>
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<div class="line"><a id="l00038" name="l00038"></a><span class="lineno"> 38</span> </div>
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<div class="foldopen" id="foldopen00039" data-start="{" data-end="}">
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<div class="line"><a id="l00039" name="l00039"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#ad81e9b2a1773470059ca6989c60556ec"> 39</a></span> <span class="keywordtype">double</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#ad81e9b2a1773470059ca6989c60556ec">Reaction::calculate_rate</a>(<span class="keyword">const</span> <span class="keywordtype">double</span> T9)<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00040" name="l00040"></a><span class="lineno"> 40</span> <span class="keywordflow">return</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#ad81e9b2a1773470059ca6989c60556ec">calculate_rate<double></a>(T9);</div>
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<div class="line"><a id="l00041" name="l00041"></a><span class="lineno"> 41</span> }</div>
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</div>
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<div class="line"><a id="l00042" name="l00042"></a><span class="lineno"> 42</span> </div>
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<div class="foldopen" id="foldopen00043" data-start="{" data-end="}">
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<div class="line"><a id="l00043" name="l00043"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#a735192a42f72cd68f289493753e1a616"> 43</a></span> CppAD::AD<double> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#ad81e9b2a1773470059ca6989c60556ec">Reaction::calculate_rate</a>(<span class="keyword">const</span> CppAD::AD<double> T9)<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00044" name="l00044"></a><span class="lineno"> 44</span> <span class="keywordflow">return</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#ad81e9b2a1773470059ca6989c60556ec">calculate_rate<CppAD::AD<double></a>>(T9);</div>
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<div class="line"><a id="l00045" name="l00045"></a><span class="lineno"> 45</span> }</div>
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</div>
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<div class="line"><a id="l00046" name="l00046"></a><span class="lineno"> 46</span> </div>
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<div class="foldopen" id="foldopen00047" data-start="{" data-end="}">
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<div class="line"><a id="l00047" name="l00047"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#a3a8ba9212d76d5ce51f20df6892c6061"> 47</a></span> <span class="keywordtype">double</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a3a8ba9212d76d5ce51f20df6892c6061">Reaction::calculate_forward_rate_log_derivative</a>(<span class="keyword">const</span> <span class="keywordtype">double</span> T9)<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00048" name="l00048"></a><span class="lineno"> 48</span> <span class="keyword">constexpr</span> <span class="keywordtype">double</span> r_p13 = 1.0 / 3.0;</div>
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<div class="line"><a id="l00049" name="l00049"></a><span class="lineno"> 49</span> <span class="keyword">constexpr</span> <span class="keywordtype">double</span> r_p53 = 5.0 / 3.0;</div>
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<div class="line"><a id="l00050" name="l00050"></a><span class="lineno"> 50</span> <span class="keyword">constexpr</span> <span class="keywordtype">double</span> r_p23 = 2.0 / 3.0;</div>
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<div class="line"><a id="l00051" name="l00051"></a><span class="lineno"> 51</span> <span class="keyword">constexpr</span> <span class="keywordtype">double</span> r_p43 = 4.0 / 3.0;</div>
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<div class="line"><a id="l00052" name="l00052"></a><span class="lineno"> 52</span> </div>
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<div class="line"><a id="l00053" name="l00053"></a><span class="lineno"> 53</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9_m1 = 1.0 / T9;</div>
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<div class="line"><a id="l00054" name="l00054"></a><span class="lineno"> 54</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9_m23 = std::pow(T9, -r_p23);</div>
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<div class="line"><a id="l00055" name="l00055"></a><span class="lineno"> 55</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9_m43 = std::pow(T9, -r_p43);</div>
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<div class="line"><a id="l00056" name="l00056"></a><span class="lineno"> 56</span> </div>
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<div class="line"><a id="l00057" name="l00057"></a><span class="lineno"> 57</span> <span class="keyword">const</span> <span class="keywordtype">double</span> d_log_k_fwd_dT9 =</div>
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<div class="line"><a id="l00058" name="l00058"></a><span class="lineno"> 58</span> -<a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72">m_rateCoefficients</a>.a1 * T9_m1 * T9_m1</div>
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<div class="line"><a id="l00059" name="l00059"></a><span class="lineno"> 59</span> - r_p13 * <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72">m_rateCoefficients</a>.a2 * T9_m43</div>
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<div class="line"><a id="l00060" name="l00060"></a><span class="lineno"> 60</span> + r_p13 * <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72">m_rateCoefficients</a>.a3 * T9_m23</div>
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<div class="line"><a id="l00061" name="l00061"></a><span class="lineno"> 61</span> + <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72">m_rateCoefficients</a>.a4</div>
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<div class="line"><a id="l00062" name="l00062"></a><span class="lineno"> 62</span> + r_p53 * <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72">m_rateCoefficients</a>.a5 * std::pow(T9, r_p23)</div>
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<div class="line"><a id="l00063" name="l00063"></a><span class="lineno"> 63</span> + <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72">m_rateCoefficients</a>.a6 * T9_m1;</div>
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<div class="line"><a id="l00064" name="l00064"></a><span class="lineno"> 64</span> </div>
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<div class="line"><a id="l00065" name="l00065"></a><span class="lineno"> 65</span> <span class="keywordflow">return</span> d_log_k_fwd_dT9; <span class="comment">// Return the derivative of the log rate with respect to T9</span></div>
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<div class="line"><a id="l00066" name="l00066"></a><span class="lineno"> 66</span> }</div>
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</div>
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<div class="line"><a id="l00067" name="l00067"></a><span class="lineno"> 67</span> </div>
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<div class="foldopen" id="foldopen00068" data-start="{" data-end="}">
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<div class="line"><a id="l00068" name="l00068"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#ab92785f331a446e51a0960b75d60b37b"> 68</a></span> <span class="keywordtype">bool</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#ab92785f331a446e51a0960b75d60b37b">Reaction::contains</a>(<span class="keyword">const</span> Species &species)<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00069" name="l00069"></a><span class="lineno"> 69</span> <span class="keywordflow">return</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#abbe243affa61ba9b2cd2a7b905cd5e45">contains_reactant</a>(species) || <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a074d3cd2421fd5d0133e47f0522403e2">contains_product</a>(species);</div>
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<div class="line"><a id="l00070" name="l00070"></a><span class="lineno"> 70</span> }</div>
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</div>
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<div class="line"><a id="l00071" name="l00071"></a><span class="lineno"> 71</span> </div>
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<div class="line"><a id="l00072" name="l00072"></a><span class="lineno"> 72</span> </div>
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<div class="foldopen" id="foldopen00073" data-start="{" data-end="}">
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<div class="line"><a id="l00073" name="l00073"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#abbe243affa61ba9b2cd2a7b905cd5e45"> 73</a></span> <span class="keywordtype">bool</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#abbe243affa61ba9b2cd2a7b905cd5e45">Reaction::contains_reactant</a>(<span class="keyword">const</span> Species& species)<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00074" name="l00074"></a><span class="lineno"> 74</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& reactant : <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11">m_reactants</a>) {</div>
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<div class="line"><a id="l00075" name="l00075"></a><span class="lineno"> 75</span> <span class="keywordflow">if</span> (reactant == species) {</div>
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<div class="line"><a id="l00076" name="l00076"></a><span class="lineno"> 76</span> <span class="keywordflow">return</span> <span class="keyword">true</span>;</div>
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<div class="line"><a id="l00077" name="l00077"></a><span class="lineno"> 77</span> }</div>
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<div class="line"><a id="l00078" name="l00078"></a><span class="lineno"> 78</span> }</div>
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<div class="line"><a id="l00079" name="l00079"></a><span class="lineno"> 79</span> <span class="keywordflow">return</span> <span class="keyword">false</span>;</div>
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<div class="line"><a id="l00080" name="l00080"></a><span class="lineno"> 80</span> }</div>
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</div>
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<div class="line"><a id="l00081" name="l00081"></a><span class="lineno"> 81</span> </div>
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<div class="foldopen" id="foldopen00082" data-start="{" data-end="}">
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<div class="line"><a id="l00082" name="l00082"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#a074d3cd2421fd5d0133e47f0522403e2"> 82</a></span> <span class="keywordtype">bool</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a074d3cd2421fd5d0133e47f0522403e2">Reaction::contains_product</a>(<span class="keyword">const</span> Species& species)<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00083" name="l00083"></a><span class="lineno"> 83</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& product : <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e">m_products</a>) {</div>
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<div class="line"><a id="l00084" name="l00084"></a><span class="lineno"> 84</span> <span class="keywordflow">if</span> (product == species) {</div>
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<div class="line"><a id="l00085" name="l00085"></a><span class="lineno"> 85</span> <span class="keywordflow">return</span> <span class="keyword">true</span>;</div>
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<div class="line"><a id="l00086" name="l00086"></a><span class="lineno"> 86</span> }</div>
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<div class="line"><a id="l00087" name="l00087"></a><span class="lineno"> 87</span> }</div>
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<div class="line"><a id="l00088" name="l00088"></a><span class="lineno"> 88</span> <span class="keywordflow">return</span> <span class="keyword">false</span>;</div>
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<div class="line"><a id="l00089" name="l00089"></a><span class="lineno"> 89</span> }</div>
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</div>
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<div class="line"><a id="l00090" name="l00090"></a><span class="lineno"> 90</span> </div>
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<div class="foldopen" id="foldopen00091" data-start="{" data-end="}">
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<div class="line"><a id="l00091" name="l00091"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#a7dc8fda87e0581fde6da0a81cf4d7224"> 91</a></span> std::unordered_set<Species> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a7dc8fda87e0581fde6da0a81cf4d7224">Reaction::all_species</a>()<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00092" name="l00092"></a><span class="lineno"> 92</span> <span class="keyword">auto</span> rs = <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a855ea65e4b62fb0cddc550424a4bc923">reactant_species</a>();</div>
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<div class="line"><a id="l00093" name="l00093"></a><span class="lineno"> 93</span> <span class="keyword">auto</span> ps = <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a01c67726efbaa2ff8e4d6f2c965f485c">product_species</a>();</div>
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<div class="line"><a id="l00094" name="l00094"></a><span class="lineno"> 94</span> rs.insert(ps.begin(), ps.end());</div>
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<div class="line"><a id="l00095" name="l00095"></a><span class="lineno"> 95</span> <span class="keywordflow">return</span> rs;</div>
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<div class="line"><a id="l00096" name="l00096"></a><span class="lineno"> 96</span> }</div>
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</div>
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<div class="line"><a id="l00097" name="l00097"></a><span class="lineno"> 97</span> </div>
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<div class="foldopen" id="foldopen00098" data-start="{" data-end="}">
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<div class="line"><a id="l00098" name="l00098"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#a855ea65e4b62fb0cddc550424a4bc923"> 98</a></span> std::unordered_set<Species> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a855ea65e4b62fb0cddc550424a4bc923">Reaction::reactant_species</a>()<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00099" name="l00099"></a><span class="lineno"> 99</span> std::unordered_set<Species> reactantsSet;</div>
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<div class="line"><a id="l00100" name="l00100"></a><span class="lineno"> 100</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& reactant : <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11">m_reactants</a>) {</div>
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<div class="line"><a id="l00101" name="l00101"></a><span class="lineno"> 101</span> reactantsSet.insert(reactant);</div>
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<div class="line"><a id="l00102" name="l00102"></a><span class="lineno"> 102</span> }</div>
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<div class="line"><a id="l00103" name="l00103"></a><span class="lineno"> 103</span> <span class="keywordflow">return</span> reactantsSet;</div>
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<div class="line"><a id="l00104" name="l00104"></a><span class="lineno"> 104</span> }</div>
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</div>
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<div class="line"><a id="l00105" name="l00105"></a><span class="lineno"> 105</span> </div>
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<div class="foldopen" id="foldopen00106" data-start="{" data-end="}">
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<div class="line"><a id="l00106" name="l00106"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#a01c67726efbaa2ff8e4d6f2c965f485c"> 106</a></span> std::unordered_set<Species> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a01c67726efbaa2ff8e4d6f2c965f485c">Reaction::product_species</a>()<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00107" name="l00107"></a><span class="lineno"> 107</span> std::unordered_set<Species> productsSet;</div>
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<div class="line"><a id="l00108" name="l00108"></a><span class="lineno"> 108</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& product : <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e">m_products</a>) {</div>
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<div class="line"><a id="l00109" name="l00109"></a><span class="lineno"> 109</span> productsSet.insert(product);</div>
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<div class="line"><a id="l00110" name="l00110"></a><span class="lineno"> 110</span> }</div>
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<div class="line"><a id="l00111" name="l00111"></a><span class="lineno"> 111</span> <span class="keywordflow">return</span> productsSet;</div>
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<div class="line"><a id="l00112" name="l00112"></a><span class="lineno"> 112</span> }</div>
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</div>
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<div class="line"><a id="l00113" name="l00113"></a><span class="lineno"> 113</span> </div>
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<div class="line"><a id="l00114" name="l00114"></a><span class="lineno"> 114</span> <span class="keywordtype">int</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#ad359c06d7196c1a7a955a7b66a51dbe3">Reaction::stoichiometry</a>(<span class="keyword">const</span> Species& species)<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00115" name="l00115"></a><span class="lineno"> 115</span> <span class="keywordtype">int</span> s = 0;</div>
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<div class="line"><a id="l00116" name="l00116"></a><span class="lineno"> 116</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& reactant : <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11">m_reactants</a>) {</div>
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<div class="line"><a id="l00117" name="l00117"></a><span class="lineno"> 117</span> <span class="keywordflow">if</span> (reactant == species) {</div>
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<div class="line"><a id="l00118" name="l00118"></a><span class="lineno"> 118</span> s--;</div>
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<div class="line"><a id="l00119" name="l00119"></a><span class="lineno"> 119</span> }</div>
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<div class="line"><a id="l00120" name="l00120"></a><span class="lineno"> 120</span> }</div>
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<div class="line"><a id="l00121" name="l00121"></a><span class="lineno"> 121</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& product : <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e">m_products</a>) {</div>
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|
<div class="line"><a id="l00122" name="l00122"></a><span class="lineno"> 122</span> <span class="keywordflow">if</span> (product == species) {</div>
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<div class="line"><a id="l00123" name="l00123"></a><span class="lineno"> 123</span> s++;</div>
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<div class="line"><a id="l00124" name="l00124"></a><span class="lineno"> 124</span> }</div>
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<div class="line"><a id="l00125" name="l00125"></a><span class="lineno"> 125</span> }</div>
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<div class="line"><a id="l00126" name="l00126"></a><span class="lineno"> 126</span> <span class="keywordflow">return</span> s;</div>
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<div class="line"><a id="l00127" name="l00127"></a><span class="lineno"> 127</span> }</div>
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<div class="line"><a id="l00128" name="l00128"></a><span class="lineno"> 128</span> </div>
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<div class="foldopen" id="foldopen00129" data-start="{" data-end="}">
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<div class="line"><a id="l00129" name="l00129"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#a1d3c8ab6d55155f9a21ad80ed8b9ef97"> 129</a></span> <span class="keywordtype">size_t</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a1d3c8ab6d55155f9a21ad80ed8b9ef97">Reaction::num_species</a>()<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00130" name="l00130"></a><span class="lineno"> 130</span> <span class="keywordflow">return</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a7dc8fda87e0581fde6da0a81cf4d7224">all_species</a>().size();</div>
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<div class="line"><a id="l00131" name="l00131"></a><span class="lineno"> 131</span> }</div>
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</div>
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<div class="line"><a id="l00132" name="l00132"></a><span class="lineno"> 132</span> </div>
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<div class="foldopen" id="foldopen00133" data-start="{" data-end="}">
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<div class="line"><a id="l00133" name="l00133"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#ad359c06d7196c1a7a955a7b66a51dbe3"> 133</a></span> std::unordered_map<Species, int> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#ad359c06d7196c1a7a955a7b66a51dbe3">Reaction::stoichiometry</a>()<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00134" name="l00134"></a><span class="lineno"> 134</span> std::unordered_map<Species, int> stoichiometryMap;</div>
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<div class="line"><a id="l00135" name="l00135"></a><span class="lineno"> 135</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& reactant : <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11">m_reactants</a>) {</div>
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<div class="line"><a id="l00136" name="l00136"></a><span class="lineno"> 136</span> stoichiometryMap[reactant]--;</div>
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<div class="line"><a id="l00137" name="l00137"></a><span class="lineno"> 137</span> }</div>
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<div class="line"><a id="l00138" name="l00138"></a><span class="lineno"> 138</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& product : <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e">m_products</a>) {</div>
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<div class="line"><a id="l00139" name="l00139"></a><span class="lineno"> 139</span> stoichiometryMap[product]++;</div>
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<div class="line"><a id="l00140" name="l00140"></a><span class="lineno"> 140</span> }</div>
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<div class="line"><a id="l00141" name="l00141"></a><span class="lineno"> 141</span> <span class="keywordflow">return</span> stoichiometryMap;</div>
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<div class="line"><a id="l00142" name="l00142"></a><span class="lineno"> 142</span> }</div>
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</div>
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<div class="line"><a id="l00143" name="l00143"></a><span class="lineno"> 143</span> </div>
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<div class="foldopen" id="foldopen00144" data-start="{" data-end="}">
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<div class="line"><a id="l00144" name="l00144"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#aa1d71e38fc55ae691dbb9ec459a612a5"> 144</a></span> <span class="keywordtype">double</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#aa1d71e38fc55ae691dbb9ec459a612a5">Reaction::excess_energy</a>()<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00145" name="l00145"></a><span class="lineno"> 145</span> <span class="keywordtype">double</span> reactantMass = 0.0;</div>
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<div class="line"><a id="l00146" name="l00146"></a><span class="lineno"> 146</span> <span class="keywordtype">double</span> productMass = 0.0;</div>
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<div class="line"><a id="l00147" name="l00147"></a><span class="lineno"> 147</span> <span class="keyword">constexpr</span> <span class="keywordtype">double</span> AMU2MeV = 931.494893; <span class="comment">// Conversion factor from atomic mass unit to MeV</span></div>
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<div class="line"><a id="l00148" name="l00148"></a><span class="lineno"> 148</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& reactant : <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11">m_reactants</a>) {</div>
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|
<div class="line"><a id="l00149" name="l00149"></a><span class="lineno"> 149</span> reactantMass += reactant.mass();</div>
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<div class="line"><a id="l00150" name="l00150"></a><span class="lineno"> 150</span> }</div>
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<div class="line"><a id="l00151" name="l00151"></a><span class="lineno"> 151</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& product : <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e">m_products</a>) {</div>
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|
<div class="line"><a id="l00152" name="l00152"></a><span class="lineno"> 152</span> productMass += product.mass();</div>
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<div class="line"><a id="l00153" name="l00153"></a><span class="lineno"> 153</span> }</div>
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|
<div class="line"><a id="l00154" name="l00154"></a><span class="lineno"> 154</span> <span class="keywordflow">return</span> (reactantMass - productMass) * AMU2MeV;</div>
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|
<div class="line"><a id="l00155" name="l00155"></a><span class="lineno"> 155</span> }</div>
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</div>
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<div class="line"><a id="l00156" name="l00156"></a><span class="lineno"> 156</span> </div>
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<div class="foldopen" id="foldopen00157" data-start="{" data-end="}">
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<div class="line"><a id="l00157" name="l00157"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_reaction.html#af6c20e6d03a2d9f87632f71a90b88cb5"> 157</a></span> uint64_t <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#af6c20e6d03a2d9f87632f71a90b88cb5">Reaction::hash</a>(<span class="keyword">const</span> uint64_t seed)<span class="keyword"> const </span>{</div>
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|
<div class="line"><a id="l00158" name="l00158"></a><span class="lineno"> 158</span> <span class="keywordflow">return</span> XXHash64::hash(<a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b">m_id</a>.data(), <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b">m_id</a>.size(), seed);</div>
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<div class="line"><a id="l00159" name="l00159"></a><span class="lineno"> 159</span> }</div>
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|
</div>
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<div class="line"><a id="l00160" name="l00160"></a><span class="lineno"> 160</span> </div>
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<div class="line"><a id="l00161" name="l00161"></a><span class="lineno"> 161</span> </div>
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<div class="line"><a id="l00162" name="l00162"></a><span class="lineno"> 162</span> </div>
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<div class="foldopen" id="foldopen00163" data-start="{" data-end="}">
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<div class="line"><a id="l00163" name="l00163"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a6965906ea33ebd0d615811219d9e9537"> 163</a></span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a6965906ea33ebd0d615811219d9e9537">LogicalReaction::LogicalReaction</a>(<span class="keyword">const</span> std::vector<Reaction>& <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>) :</div>
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<div class="line"><a id="l00164" name="l00164"></a><span class="lineno"> 164</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a7dff19d387e771d96c26e98d75ee9d5c">Reaction</a>(<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>.front().<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a78f42664cc957e266b6cf15fda09be97">peName</a>(),</div>
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<div class="line"><a id="l00165" name="l00165"></a><span class="lineno"> 165</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>.front().<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a78f42664cc957e266b6cf15fda09be97">peName</a>(),</div>
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<div class="line"><a id="l00166" name="l00166"></a><span class="lineno"> 166</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>.front().<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a5cb438adfefb640e4bc58e09053bd629">chapter</a>(),</div>
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<div class="line"><a id="l00167" name="l00167"></a><span class="lineno"> 167</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>.front().<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>(),</div>
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<div class="line"><a id="l00168" name="l00168"></a><span class="lineno"> 168</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>.front().<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a6e2ff61b9e8409f2a561663628b8ce02">products</a>(),</div>
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<div class="line"><a id="l00169" name="l00169"></a><span class="lineno"> 169</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>.front().<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#abda0b4e4313e6d4ba57acf37d5976fb8">qValue</a>(),</div>
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<div class="line"><a id="l00170" name="l00170"></a><span class="lineno"> 170</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>.front().<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a410e2ab0784ad751f82bbe55be603db0">sourceLabel</a>(),</div>
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<div class="line"><a id="l00171" name="l00171"></a><span class="lineno"> 171</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>.front().<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a85968076e686e67763f4fdf4f72a892e">rateCoefficients</a>(),</div>
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<div class="line"><a id="l00172" name="l00172"></a><span class="lineno"> 172</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>.front().<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#aa67d05dfabf007c1acad34052d9a1dba">is_reverse</a>()) {</div>
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<div class="line"><a id="l00173" name="l00173"></a><span class="lineno"> 173</span> </div>
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<div class="line"><a id="l00174" name="l00174"></a><span class="lineno"> 174</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a7fe91d24e20ebc76d612f6ad742f476f">m_sources</a>.reserve(<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>.size());</div>
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<div class="line"><a id="l00175" name="l00175"></a><span class="lineno"> 175</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a81f75f0085f8a5a45169f0b7240c809d">m_rates</a>.reserve(<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>.size());</div>
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<div class="line"><a id="l00176" name="l00176"></a><span class="lineno"> 176</span> for (<span class="keyword">const</span> <span class="keyword">auto</span>& <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a> : <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">reactants</a>) {</div>
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<div class="line"><a id="l00177" name="l00177"></a><span class="lineno"> 177</span> <span class="keywordflow">if</span> (std::abs(std::abs(<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.qValue()) - std::abs(<a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b">m_qValue</a>)) > 1e-6) {</div>
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<div class="line"><a id="l00178" name="l00178"></a><span class="lineno"> 178</span> LOG_ERROR(</div>
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<div class="line"><a id="l00179" name="l00179"></a><span class="lineno"> 179</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4">m_logger</a>,</div>
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<div class="line"><a id="l00180" name="l00180"></a><span class="lineno"> 180</span> <span class="stringliteral">"LogicalReaction constructed with reactions having different Q-values. Expected {} got {}."</span>,</div>
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<div class="line"><a id="l00181" name="l00181"></a><span class="lineno"> 181</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b">m_qValue</a>,</div>
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<div class="line"><a id="l00182" name="l00182"></a><span class="lineno"> 182</span> <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.qValue()</div>
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<div class="line"><a id="l00183" name="l00183"></a><span class="lineno"> 183</span> );</div>
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<div class="line"><a id="l00184" name="l00184"></a><span class="lineno"> 184</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4">m_logger</a> -> flush_log();</div>
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<div class="line"><a id="l00185" name="l00185"></a><span class="lineno"> 185</span> <span class="keywordflow">throw</span> std::runtime_error(<span class="stringliteral">"LogicalReaction constructed with reactions having different Q-values. Expected "</span> + std::to_string(<a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b">m_qValue</a>) + <span class="stringliteral">" got "</span> + std::to_string(<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.qValue()) + <span class="stringliteral">" (difference : "</span> + std::to_string(std::abs(<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.qValue() - <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b">m_qValue</a>)) + <span class="stringliteral">")."</span>);</div>
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<div class="line"><a id="l00186" name="l00186"></a><span class="lineno"> 186</span> }</div>
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<div class="line"><a id="l00187" name="l00187"></a><span class="lineno"> 187</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a7fe91d24e20ebc76d612f6ad742f476f">m_sources</a>.push_back(std::string(<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.sourceLabel()));</div>
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<div class="line"><a id="l00188" name="l00188"></a><span class="lineno"> 188</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a81f75f0085f8a5a45169f0b7240c809d">m_rates</a>.push_back(<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.rateCoefficients());</div>
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<div class="line"><a id="l00189" name="l00189"></a><span class="lineno"> 189</span> }</div>
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<div class="line"><a id="l00190" name="l00190"></a><span class="lineno"> 190</span> }</div>
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</div>
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<div class="line"><a id="l00191" name="l00191"></a><span class="lineno"> 191</span> </div>
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<div class="foldopen" id="foldopen00192" data-start="{" data-end="}">
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<div class="line"><a id="l00192" name="l00192"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a14a24cb8ea25a1514134acc51197f1de"> 192</a></span> <span class="keywordtype">void</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a14a24cb8ea25a1514134acc51197f1de">LogicalReaction::add_reaction</a>(<span class="keyword">const</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a7dff19d387e771d96c26e98d75ee9d5c">Reaction</a>& <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>) {</div>
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<div class="line"><a id="l00193" name="l00193"></a><span class="lineno"> 193</span> <span class="keywordflow">if</span> (<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.peName() != <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b">m_id</a>) {</div>
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<div class="line"><a id="l00194" name="l00194"></a><span class="lineno"> 194</span> LOG_ERROR(<a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4">m_logger</a>, <span class="stringliteral">"Cannot add reaction with different peName to LogicalReaction. Expected {} got {}."</span>, <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b">m_id</a>, <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.peName());</div>
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<div class="line"><a id="l00195" name="l00195"></a><span class="lineno"> 195</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4">m_logger</a> -> flush_log();</div>
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<div class="line"><a id="l00196" name="l00196"></a><span class="lineno"> 196</span> <span class="keywordflow">throw</span> std::runtime_error(<span class="stringliteral">"Cannot add reaction with different peName to LogicalReaction. Expected "</span> + std::string(<a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b">m_id</a>) + <span class="stringliteral">" got "</span> + std::string(<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.peName()) + <span class="stringliteral">"."</span>);</div>
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<div class="line"><a id="l00197" name="l00197"></a><span class="lineno"> 197</span> }</div>
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<div class="line"><a id="l00198" name="l00198"></a><span class="lineno"> 198</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& source : <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a7fe91d24e20ebc76d612f6ad742f476f">m_sources</a>) {</div>
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<div class="line"><a id="l00199" name="l00199"></a><span class="lineno"> 199</span> <span class="keywordflow">if</span> (source == <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.sourceLabel()) {</div>
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<div class="line"><a id="l00200" name="l00200"></a><span class="lineno"> 200</span> LOG_ERROR(<a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4">m_logger</a>, <span class="stringliteral">"Cannot add reaction with duplicate source label {} to LogicalReaction."</span>, <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.sourceLabel());</div>
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<div class="line"><a id="l00201" name="l00201"></a><span class="lineno"> 201</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4">m_logger</a> -> flush_log();</div>
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<div class="line"><a id="l00202" name="l00202"></a><span class="lineno"> 202</span> <span class="keywordflow">throw</span> std::runtime_error(<span class="stringliteral">"Cannot add reaction with duplicate source label "</span> + std::string(<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.sourceLabel()) + <span class="stringliteral">" to LogicalReaction."</span>);</div>
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<div class="line"><a id="l00203" name="l00203"></a><span class="lineno"> 203</span> }</div>
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<div class="line"><a id="l00204" name="l00204"></a><span class="lineno"> 204</span> }</div>
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<div class="line"><a id="l00205" name="l00205"></a><span class="lineno"> 205</span> <span class="keywordflow">if</span> (std::abs(<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.qValue() - <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b">m_qValue</a>) > 1e-6) {</div>
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<div class="line"><a id="l00206" name="l00206"></a><span class="lineno"> 206</span> LOG_ERROR(<a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4">m_logger</a>, <span class="stringliteral">"LogicalReaction constructed with reactions having different Q-values. Expected {} got {}."</span>, <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b">m_qValue</a>, <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.qValue());</div>
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<div class="line"><a id="l00207" name="l00207"></a><span class="lineno"> 207</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4">m_logger</a> -> flush_log();</div>
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<div class="line"><a id="l00208" name="l00208"></a><span class="lineno"> 208</span> <span class="keywordflow">throw</span> std::runtime_error(<span class="stringliteral">"LogicalReaction constructed with reactions having different Q-values. Expected "</span> + std::to_string(<a class="code hl_variable" href="classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b">m_qValue</a>) + <span class="stringliteral">" got "</span> + std::to_string(<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.qValue()) + <span class="stringliteral">"."</span>);</div>
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<div class="line"><a id="l00209" name="l00209"></a><span class="lineno"> 209</span> }</div>
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<div class="line"><a id="l00210" name="l00210"></a><span class="lineno"> 210</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a7fe91d24e20ebc76d612f6ad742f476f">m_sources</a>.push_back(std::string(<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.sourceLabel()));</div>
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<div class="line"><a id="l00211" name="l00211"></a><span class="lineno"> 211</span> <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a81f75f0085f8a5a45169f0b7240c809d">m_rates</a>.push_back(<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.rateCoefficients());</div>
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<div class="line"><a id="l00212" name="l00212"></a><span class="lineno"> 212</span> }</div>
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</div>
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<div class="line"><a id="l00213" name="l00213"></a><span class="lineno"> 213</span> </div>
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<div class="foldopen" id="foldopen00214" data-start="{" data-end="}">
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<div class="line"><a id="l00214" name="l00214"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a1d2fb3b6a6a1860ace98b32447d1dd1b"> 214</a></span> <span class="keywordtype">double</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a1d2fb3b6a6a1860ace98b32447d1dd1b">LogicalReaction::calculate_rate</a>(<span class="keyword">const</span> <span class="keywordtype">double</span> T9)<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00215" name="l00215"></a><span class="lineno"> 215</span> <span class="keywordflow">return</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a1d2fb3b6a6a1860ace98b32447d1dd1b">calculate_rate<double></a>(T9);</div>
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<div class="line"><a id="l00216" name="l00216"></a><span class="lineno"> 216</span> }</div>
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</div>
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<div class="line"><a id="l00217" name="l00217"></a><span class="lineno"> 217</span> </div>
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<div class="foldopen" id="foldopen00218" data-start="{" data-end="}">
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<div class="line"><a id="l00218" name="l00218"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_logical_reaction.html#aa4b8d0d30459f360ff6e29d848e943d5"> 218</a></span> <span class="keywordtype">double</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_logical_reaction.html#aa4b8d0d30459f360ff6e29d848e943d5">LogicalReaction::calculate_forward_rate_log_derivative</a>(<span class="keyword">const</span> <span class="keywordtype">double</span> T9)<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00219" name="l00219"></a><span class="lineno"> 219</span> <span class="keyword">constexpr</span> <span class="keywordtype">double</span> r_p13 = 1.0 / 3.0;</div>
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<div class="line"><a id="l00220" name="l00220"></a><span class="lineno"> 220</span> <span class="keyword">constexpr</span> <span class="keywordtype">double</span> r_p53 = 5.0 / 3.0;</div>
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<div class="line"><a id="l00221" name="l00221"></a><span class="lineno"> 221</span> <span class="keyword">constexpr</span> <span class="keywordtype">double</span> r_p23 = 2.0 / 3.0;</div>
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<div class="line"><a id="l00222" name="l00222"></a><span class="lineno"> 222</span> <span class="keyword">constexpr</span> <span class="keywordtype">double</span> r_p43 = 4.0 / 3.0;</div>
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<div class="line"><a id="l00223" name="l00223"></a><span class="lineno"> 223</span> </div>
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<div class="line"><a id="l00224" name="l00224"></a><span class="lineno"> 224</span> <span class="keywordtype">double</span> totalRate = 0.0;</div>
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<div class="line"><a id="l00225" name="l00225"></a><span class="lineno"> 225</span> <span class="keywordtype">double</span> totalRateDerivative = 0.0;</div>
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<div class="line"><a id="l00226" name="l00226"></a><span class="lineno"> 226</span> </div>
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<div class="line"><a id="l00227" name="l00227"></a><span class="lineno"> 227</span> </div>
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<div class="line"><a id="l00228" name="l00228"></a><span class="lineno"> 228</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9_m1 = 1.0 / T9;</div>
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<div class="line"><a id="l00229" name="l00229"></a><span class="lineno"> 229</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T913 = std::pow(T9, r_p13);</div>
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<div class="line"><a id="l00230" name="l00230"></a><span class="lineno"> 230</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T953 = std::pow(T9, r_p53);</div>
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<div class="line"><a id="l00231" name="l00231"></a><span class="lineno"> 231</span> <span class="keyword">const</span> <span class="keywordtype">double</span> logT9 = std::log(T9);</div>
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<div class="line"><a id="l00232" name="l00232"></a><span class="lineno"> 232</span> </div>
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<div class="line"><a id="l00233" name="l00233"></a><span class="lineno"> 233</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9_m1_sq = T9_m1 * T9_m1;</div>
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<div class="line"><a id="l00234" name="l00234"></a><span class="lineno"> 234</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9_m23 = std::pow(T9, -r_p23);</div>
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<div class="line"><a id="l00235" name="l00235"></a><span class="lineno"> 235</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9_m43 = std::pow(T9, -r_p43);</div>
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<div class="line"><a id="l00236" name="l00236"></a><span class="lineno"> 236</span> <span class="keyword">const</span> <span class="keywordtype">double</span> T9_p23 = std::pow(T9, r_p23);</div>
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<div class="line"><a id="l00237" name="l00237"></a><span class="lineno"> 237</span> </div>
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<div class="line"><a id="l00238" name="l00238"></a><span class="lineno"> 238</span> </div>
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<div class="line"><a id="l00239" name="l00239"></a><span class="lineno"> 239</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& coeffs : <a class="code hl_variable" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a81f75f0085f8a5a45169f0b7240c809d">m_rates</a>) {</div>
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<div class="line"><a id="l00240" name="l00240"></a><span class="lineno"> 240</span> <span class="keyword">const</span> <span class="keywordtype">double</span> exponent = coeffs.a0 +</div>
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<div class="line"><a id="l00241" name="l00241"></a><span class="lineno"> 241</span> coeffs.a1 * T9_m1 +</div>
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<div class="line"><a id="l00242" name="l00242"></a><span class="lineno"> 242</span> coeffs.a2 / T913 +</div>
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<div class="line"><a id="l00243" name="l00243"></a><span class="lineno"> 243</span> coeffs.a3 * T913 +</div>
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<div class="line"><a id="l00244" name="l00244"></a><span class="lineno"> 244</span> coeffs.a4 * T9 +</div>
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<div class="line"><a id="l00245" name="l00245"></a><span class="lineno"> 245</span> coeffs.a5 * T953 +</div>
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<div class="line"><a id="l00246" name="l00246"></a><span class="lineno"> 246</span> coeffs.a6 * logT9;</div>
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<div class="line"><a id="l00247" name="l00247"></a><span class="lineno"> 247</span> <span class="keyword">const</span> <span class="keywordtype">double</span> individualRate = std::exp(exponent);</div>
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<div class="line"><a id="l00248" name="l00248"></a><span class="lineno"> 248</span> </div>
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<div class="line"><a id="l00249" name="l00249"></a><span class="lineno"> 249</span> <span class="keyword">const</span> <span class="keywordtype">double</span> d_exponent_T9 =</div>
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<div class="line"><a id="l00250" name="l00250"></a><span class="lineno"> 250</span> -coeffs.a1 * T9_m1_sq</div>
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<div class="line"><a id="l00251" name="l00251"></a><span class="lineno"> 251</span> - r_p13 * coeffs.a2 * T9_m43</div>
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<div class="line"><a id="l00252" name="l00252"></a><span class="lineno"> 252</span> + r_p13 * coeffs.a3 * T9_m23</div>
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<div class="line"><a id="l00253" name="l00253"></a><span class="lineno"> 253</span> + coeffs.a4</div>
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<div class="line"><a id="l00254" name="l00254"></a><span class="lineno"> 254</span> + r_p53 * coeffs.a5 * T9_p23</div>
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<div class="line"><a id="l00255" name="l00255"></a><span class="lineno"> 255</span> + coeffs.a6 * T9_m1;</div>
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<div class="line"><a id="l00256" name="l00256"></a><span class="lineno"> 256</span> </div>
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<div class="line"><a id="l00257" name="l00257"></a><span class="lineno"> 257</span> <span class="keyword">const</span> <span class="keywordtype">double</span> individualRateDerivative = individualRate * d_exponent_T9;</div>
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<div class="line"><a id="l00258" name="l00258"></a><span class="lineno"> 258</span> totalRate += individualRate;</div>
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<div class="line"><a id="l00259" name="l00259"></a><span class="lineno"> 259</span> totalRateDerivative += individualRateDerivative;</div>
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<div class="line"><a id="l00260" name="l00260"></a><span class="lineno"> 260</span> }</div>
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<div class="line"><a id="l00261" name="l00261"></a><span class="lineno"> 261</span> </div>
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<div class="line"><a id="l00262" name="l00262"></a><span class="lineno"> 262</span> <span class="keywordflow">if</span> (totalRate == 0.0) {</div>
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<div class="line"><a id="l00263" name="l00263"></a><span class="lineno"> 263</span> <span class="keywordflow">return</span> 0.0; <span class="comment">// Avoid division by zero</span></div>
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<div class="line"><a id="l00264" name="l00264"></a><span class="lineno"> 264</span> }</div>
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<div class="line"><a id="l00265" name="l00265"></a><span class="lineno"> 265</span> </div>
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<div class="line"><a id="l00266" name="l00266"></a><span class="lineno"> 266</span> <span class="keywordflow">return</span> totalRateDerivative / totalRate;</div>
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<div class="line"><a id="l00267" name="l00267"></a><span class="lineno"> 267</span> }</div>
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</div>
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<div class="line"><a id="l00268" name="l00268"></a><span class="lineno"> 268</span> </div>
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<div class="foldopen" id="foldopen00269" data-start="{" data-end="}">
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<div class="line"><a id="l00269" name="l00269"></a><span class="lineno"><a class="line" href="classgridfire_1_1reaction_1_1_logical_reaction.html#adad6f4297c1d8ce487eab092b73cdd32"> 269</a></span> CppAD::AD<double> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a1d2fb3b6a6a1860ace98b32447d1dd1b">LogicalReaction::calculate_rate</a>(<span class="keyword">const</span> CppAD::AD<double> T9)<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00270" name="l00270"></a><span class="lineno"> 270</span> <span class="keywordflow">return</span> <a class="code hl_function" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a1d2fb3b6a6a1860ace98b32447d1dd1b">calculate_rate<CppAD::AD<double></a>>(T9);</div>
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<div class="line"><a id="l00271" name="l00271"></a><span class="lineno"> 271</span> }</div>
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</div>
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<div class="line"><a id="l00272" name="l00272"></a><span class="lineno"> 272</span> </div>
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<div class="foldopen" id="foldopen00273" data-start="{" data-end="}">
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<div class="line"><a id="l00273" name="l00273"></a><span class="lineno"><a class="line" href="namespacegridfire_1_1reaction.html#abfcfafc0cda0c3ed56930a12e7ead67f"> 273</a></span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">LogicalReactionSet</a> <a class="code hl_function" href="namespacegridfire_1_1reaction.html#abfcfafc0cda0c3ed56930a12e7ead67f">packReactionSetToLogicalReactionSet</a>(<span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#ad838ce3fb6cc02c3fd90b924a0dd91b1">ReactionSet</a>& reactionSet) {</div>
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<div class="line"><a id="l00274" name="l00274"></a><span class="lineno"> 274</span> std::unordered_map<std::string_view, std::vector<Reaction>> groupedReactions;</div>
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<div class="line"><a id="l00275" name="l00275"></a><span class="lineno"> 275</span> </div>
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<div class="line"><a id="l00276" name="l00276"></a><span class="lineno"> 276</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span>& <a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>: reactionSet) {</div>
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<div class="line"><a id="l00277" name="l00277"></a><span class="lineno"> 277</span> groupedReactions[<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>.peName()].push_back(<a class="code hl_namespace" href="namespacegridfire_1_1reaction.html">reaction</a>);</div>
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<div class="line"><a id="l00278" name="l00278"></a><span class="lineno"> 278</span> }</div>
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<div class="line"><a id="l00279" name="l00279"></a><span class="lineno"> 279</span> </div>
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<div class="line"><a id="l00280" name="l00280"></a><span class="lineno"> 280</span> std::vector<LogicalReaction> reactions;</div>
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<div class="line"><a id="l00281" name="l00281"></a><span class="lineno"> 281</span> reactions.reserve(groupedReactions.size());</div>
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<div class="line"><a id="l00282" name="l00282"></a><span class="lineno"> 282</span> </div>
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<div class="line"><a id="l00283" name="l00283"></a><span class="lineno"> 283</span> <span class="keywordflow">for</span> (<span class="keyword">const</span> <span class="keyword">auto</span> &reactionsGroup: groupedReactions | std::views::values) {</div>
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<div class="line"><a id="l00284" name="l00284"></a><span class="lineno"> 284</span> <a class="code hl_class" href="classgridfire_1_1reaction_1_1_logical_reaction.html">LogicalReaction</a> logicalReaction(reactionsGroup);</div>
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<div class="line"><a id="l00285" name="l00285"></a><span class="lineno"> 285</span> reactions.push_back(logicalReaction);</div>
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<div class="line"><a id="l00286" name="l00286"></a><span class="lineno"> 286</span> }</div>
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<div class="line"><a id="l00287" name="l00287"></a><span class="lineno"> 287</span> <span class="keywordflow">return</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">LogicalReactionSet</a>(std::move(reactions));</div>
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<div class="line"><a id="l00288" name="l00288"></a><span class="lineno"> 288</span> }</div>
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</div>
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<div class="line"><a id="l00289" name="l00289"></a><span class="lineno"> 289</span>}</div>
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<div class="line"><a id="l00290" name="l00290"></a><span class="lineno"> 290</span> </div>
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<div class="line"><a id="l00291" name="l00291"></a><span class="lineno"> 291</span><span class="keyword">namespace </span><a class="code hl_namespace" href="namespacestd.html">std</a> {</div>
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<div class="line"><a id="l00292" name="l00292"></a><span class="lineno"> 292</span> <span class="keyword">template</span><></div>
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<div class="foldopen" id="foldopen00293" data-start="{" data-end="};">
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<div class="line"><a id="l00293" name="l00293"></a><span class="lineno"><a class="line" href="structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_01_4.html"> 293</a></span> <span class="keyword">struct </span>hash<<a class="code hl_namespace" href="namespacegridfire.html">gridfire</a>::reaction::Reaction> {</div>
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<div class="foldopen" id="foldopen00294" data-start="{" data-end="}">
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<div class="line"><a id="l00294" name="l00294"></a><span class="lineno"><a class="line" href="structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_01_4.html#a48224b63a80690e4f0620f1312be5dd9"> 294</a></span> <span class="keywordtype">size_t</span> <a class="code hl_function" href="structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_01_4.html#a48224b63a80690e4f0620f1312be5dd9">operator()</a>(<span class="keyword">const</span> <a class="code hl_class" href="classgridfire_1_1reaction_1_1_reaction.html">gridfire::reaction::Reaction</a>& r) <span class="keyword">const</span> <span class="keyword">noexcept</span> {</div>
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<div class="line"><a id="l00295" name="l00295"></a><span class="lineno"> 295</span> <span class="keywordflow">return</span> r.hash(0);</div>
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<div class="line"><a id="l00296" name="l00296"></a><span class="lineno"> 296</span> }</div>
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</div>
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<div class="line"><a id="l00297" name="l00297"></a><span class="lineno"> 297</span> };</div>
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</div>
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<div class="line"><a id="l00298" name="l00298"></a><span class="lineno"> 298</span> </div>
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<div class="line"><a id="l00299" name="l00299"></a><span class="lineno"> 299</span> <span class="keyword">template</span><></div>
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<div class="foldopen" id="foldopen00300" data-start="{" data-end="};">
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<div class="line"><a id="l00300" name="l00300"></a><span class="lineno"><a class="line" href="structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_set_01_4.html"> 300</a></span> <span class="keyword">struct </span>hash<<a class="code hl_namespace" href="namespacegridfire.html">gridfire</a>::reaction::ReactionSet> {</div>
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<div class="foldopen" id="foldopen00301" data-start="{" data-end="}">
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<div class="line"><a id="l00301" name="l00301"></a><span class="lineno"><a class="line" href="structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_set_01_4.html#a32b976b3e3e4e0403c1295f9b467e921"> 301</a></span> <span class="keywordtype">size_t</span> <a class="code hl_function" href="structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_set_01_4.html#a32b976b3e3e4e0403c1295f9b467e921">operator()</a>(<span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#ad838ce3fb6cc02c3fd90b924a0dd91b1">gridfire::reaction::ReactionSet</a>& s) <span class="keyword">const</span> <span class="keyword">noexcept</span> {</div>
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<div class="line"><a id="l00302" name="l00302"></a><span class="lineno"> 302</span> <span class="keywordflow">return</span> s.hash(0);</div>
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<div class="line"><a id="l00303" name="l00303"></a><span class="lineno"> 303</span> }</div>
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</div>
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<div class="line"><a id="l00304" name="l00304"></a><span class="lineno"> 304</span> };</div>
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</div>
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<div class="line"><a id="l00305" name="l00305"></a><span class="lineno"> 305</span> </div>
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<div class="line"><a id="l00306" name="l00306"></a><span class="lineno"> 306</span> <span class="keyword">template</span><></div>
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<div class="foldopen" id="foldopen00307" data-start="{" data-end="};">
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<div class="line"><a id="l00307" name="l00307"></a><span class="lineno"><a class="line" href="structstd_1_1hash_3_01gridfire_1_1reaction_1_1_logical_reaction_set_01_4.html"> 307</a></span> <span class="keyword">struct </span>hash<<a class="code hl_namespace" href="namespacegridfire.html">gridfire</a>::reaction::LogicalReactionSet> {</div>
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<div class="foldopen" id="foldopen00308" data-start="{" data-end="}">
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<div class="line"><a id="l00308" name="l00308"></a><span class="lineno"><a class="line" href="structstd_1_1hash_3_01gridfire_1_1reaction_1_1_logical_reaction_set_01_4.html#a4b76e7119050266952ded94d6f0544cb"> 308</a></span> <span class="keywordtype">size_t</span> <a class="code hl_function" href="structstd_1_1hash_3_01gridfire_1_1reaction_1_1_logical_reaction_set_01_4.html#a4b76e7119050266952ded94d6f0544cb">operator()</a>(<span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">gridfire::reaction::LogicalReactionSet</a>& s) <span class="keyword">const</span> <span class="keyword">noexcept</span> {</div>
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<div class="line"><a id="l00309" name="l00309"></a><span class="lineno"> 309</span> <span class="keywordflow">return</span> s.hash(0);</div>
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<div class="line"><a id="l00310" name="l00310"></a><span class="lineno"> 310</span> }</div>
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</div>
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<div class="line"><a id="l00311" name="l00311"></a><span class="lineno"> 311</span> };</div>
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</div>
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<div class="line"><a id="l00312" name="l00312"></a><span class="lineno"> 312</span>} <span class="comment">// namespace std</span></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_logical_reaction_html"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_logical_reaction.html">gridfire::reaction::LogicalReaction</a></div><div class="ttdoc">Represents a "logical" reaction that aggregates rates from multiple sources.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00310">reaction.h:310</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_logical_reaction_html_a14a24cb8ea25a1514134acc51197f1de"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_logical_reaction.html#a14a24cb8ea25a1514134acc51197f1de">gridfire::reaction::LogicalReaction::add_reaction</a></div><div class="ttdeci">void add_reaction(const Reaction &reaction)</div><div class="ttdoc">Adds another Reaction source to this logical reaction.</div><div class="ttdef"><b>Definition</b> <a href="#l00192">reaction.cpp:192</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_logical_reaction_html_a1d2fb3b6a6a1860ace98b32447d1dd1b"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_logical_reaction.html#a1d2fb3b6a6a1860ace98b32447d1dd1b">gridfire::reaction::LogicalReaction::calculate_rate</a></div><div class="ttdeci">double calculate_rate(const double T9) const override</div><div class="ttdoc">Calculates the total reaction rate by summing all source rates.</div><div class="ttdef"><b>Definition</b> <a href="#l00214">reaction.cpp:214</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_logical_reaction_html_a6965906ea33ebd0d615811219d9e9537"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_logical_reaction.html#a6965906ea33ebd0d615811219d9e9537">gridfire::reaction::LogicalReaction::LogicalReaction</a></div><div class="ttdeci">LogicalReaction(const std::vector< Reaction > &reactions)</div><div class="ttdoc">Constructs a LogicalReaction from a vector of Reaction objects.</div><div class="ttdef"><b>Definition</b> <a href="#l00163">reaction.cpp:163</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_logical_reaction_html_a7fe91d24e20ebc76d612f6ad742f476f"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_logical_reaction.html#a7fe91d24e20ebc76d612f6ad742f476f">gridfire::reaction::LogicalReaction::m_sources</a></div><div class="ttdeci">std::vector< std::string > m_sources</div><div class="ttdoc">List of source labels.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00372">reaction.h:372</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_logical_reaction_html_a81f75f0085f8a5a45169f0b7240c809d"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_logical_reaction.html#a81f75f0085f8a5a45169f0b7240c809d">gridfire::reaction::LogicalReaction::m_rates</a></div><div class="ttdeci">std::vector< RateCoefficientSet > m_rates</div><div class="ttdoc">List of rate coefficient sets from each source.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00373">reaction.h:373</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_logical_reaction_html_aa4b8d0d30459f360ff6e29d848e943d5"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_logical_reaction.html#aa4b8d0d30459f360ff6e29d848e943d5">gridfire::reaction::LogicalReaction::calculate_forward_rate_log_derivative</a></div><div class="ttdeci">virtual double calculate_forward_rate_log_derivative(const double T9) const override</div><div class="ttdef"><b>Definition</b> <a href="#l00218">reaction.cpp:218</a></div></div>
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<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> <a href="reaction_8h_source.html#l00072">reaction.h:72</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a0185c6be5465d113f25e00aee1297cd6"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a0185c6be5465d113f25e00aee1297cd6">gridfire::reaction::Reaction::m_sourceLabel</a></div><div class="ttdeci">std::string m_sourceLabel</div><div class="ttdoc">Source label for the rate data (e.g., "wc12w", "st08").</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00270">reaction.h:270</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a01c67726efbaa2ff8e4d6f2c965f485c"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a01c67726efbaa2ff8e4d6f2c965f485c">gridfire::reaction::Reaction::product_species</a></div><div class="ttdeci">std::unordered_set< fourdst::atomic::Species > product_species() const</div><div class="ttdoc">Gets a set of all unique product species.</div><div class="ttdef"><b>Definition</b> <a href="#l00106">reaction.cpp:106</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a074d3cd2421fd5d0133e47f0522403e2"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a074d3cd2421fd5d0133e47f0522403e2">gridfire::reaction::Reaction::contains_product</a></div><div class="ttdeci">bool contains_product(const fourdst::atomic::Species &species) const</div><div class="ttdoc">Checks if the reaction involves a given species as a product.</div><div class="ttdef"><b>Definition</b> <a href="#l00082">reaction.cpp:82</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a084c38181408ed5e6fa2a2dd4d0ec905"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a084c38181408ed5e6fa2a2dd4d0ec905">gridfire::reaction::Reaction::id</a></div><div class="ttdeci">std::string_view id() const</div><div class="ttdoc">Gets the unique identifier of the reaction.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00204">reaction.h:204</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a0b0b9ac498080aae91ffd466d1ae85a9"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a0b0b9ac498080aae91ffd466d1ae85a9">gridfire::reaction::Reaction::m_reverse</a></div><div class="ttdeci">bool m_reverse</div><div class="ttdoc">Flag indicating if this is a reverse reaction rate.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00272">reaction.h:272</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a0b543e9b0bb4a21efe4b29780d9bdf5b"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">gridfire::reaction::Reaction::reactants</a></div><div class="ttdeci">const std::vector< fourdst::atomic::Species > & reactants() const</div><div class="ttdoc">Gets the vector of reactant species.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00216">reaction.h:216</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a16f9cbb6269817099d3dc07d4e63da7b"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a16f9cbb6269817099d3dc07d4e63da7b">gridfire::reaction::Reaction::m_chapter</a></div><div class="ttdeci">int m_chapter</div><div class="ttdoc">Chapter number from the REACLIB database, defining the reaction structure.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00266">reaction.h:266</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a1d3c8ab6d55155f9a21ad80ed8b9ef97"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a1d3c8ab6d55155f9a21ad80ed8b9ef97">gridfire::reaction::Reaction::num_species</a></div><div class="ttdeci">size_t num_species() const</div><div class="ttdoc">Gets the number of unique species involved in the reaction.</div><div class="ttdef"><b>Definition</b> <a href="#l00129">reaction.cpp:129</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a3a8ba9212d76d5ce51f20df6892c6061"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a3a8ba9212d76d5ce51f20df6892c6061">gridfire::reaction::Reaction::calculate_forward_rate_log_derivative</a></div><div class="ttdeci">virtual double calculate_forward_rate_log_derivative(const double T9) const</div><div class="ttdef"><b>Definition</b> <a href="#l00047">reaction.cpp:47</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a410e2ab0784ad751f82bbe55be603db0"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a410e2ab0784ad751f82bbe55be603db0">gridfire::reaction::Reaction::sourceLabel</a></div><div class="ttdeci">std::string_view sourceLabel() const</div><div class="ttdoc">Gets the source label for the rate data.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00134">reaction.h:134</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a4b5607ed413acdf29539b8a57461e49e"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e">gridfire::reaction::Reaction::m_products</a></div><div class="ttdeci">std::vector< fourdst::atomic::Species > m_products</div><div class="ttdoc">Products of the reaction.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00269">reaction.h:269</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a59122a2898bb9af640cc3e9aeb49028b"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b">gridfire::reaction::Reaction::m_qValue</a></div><div class="ttdeci">double m_qValue</div><div class="ttdoc">Q-value of the reaction in MeV.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00267">reaction.h:267</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a5c685e5a736b51799e5b9f6746c4126b"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b">gridfire::reaction::Reaction::m_id</a></div><div class="ttdeci">std::string m_id</div><div class="ttdoc">Unique identifier for the reaction (e.g., "h1+h1=>h2+e+nu").</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00264">reaction.h:264</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a5cb438adfefb640e4bc58e09053bd629"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a5cb438adfefb640e4bc58e09053bd629">gridfire::reaction::Reaction::chapter</a></div><div class="ttdeci">int chapter() const</div><div class="ttdoc">Gets the REACLIB chapter number.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00128">reaction.h:128</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a6124aa9fc2306349e1dd879a37923248"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a6124aa9fc2306349e1dd879a37923248">gridfire::reaction::Reaction::m_peName</a></div><div class="ttdeci">std::string m_peName</div><div class="ttdoc">Name of the reaction in (projectile, ejectile) notation (e.g. "p(p,g)d").</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00265">reaction.h:265</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a6e2ff61b9e8409f2a561663628b8ce02"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a6e2ff61b9e8409f2a561663628b8ce02">gridfire::reaction::Reaction::products</a></div><div class="ttdeci">const std::vector< fourdst::atomic::Species > & products() const</div><div class="ttdoc">Gets the vector of product species.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00222">reaction.h:222</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a7044d0a1d59d85502ce554e4ec2167e4"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4">gridfire::reaction::Reaction::m_logger</a></div><div class="ttdeci">quill::Logger * m_logger</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00263">reaction.h:263</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a78f42664cc957e266b6cf15fda09be97"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a78f42664cc957e266b6cf15fda09be97">gridfire::reaction::Reaction::peName</a></div><div class="ttdeci">virtual std::string_view peName() const</div><div class="ttdoc">Gets the reaction name in (projectile, ejectile) notation.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00122">reaction.h:122</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a7dc8fda87e0581fde6da0a81cf4d7224"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a7dc8fda87e0581fde6da0a81cf4d7224">gridfire::reaction::Reaction::all_species</a></div><div class="ttdeci">std::unordered_set< fourdst::atomic::Species > all_species() const</div><div class="ttdoc">Gets a set of all unique species involved in the reaction.</div><div class="ttdef"><b>Definition</b> <a href="#l00091">reaction.cpp:91</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a7dff19d387e771d96c26e98d75ee9d5c"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a7dff19d387e771d96c26e98d75ee9d5c">gridfire::reaction::Reaction::Reaction</a></div><div class="ttdeci">Reaction(const std::string_view id, const std::string_view peName, const int chapter, const std::vector< fourdst::atomic::Species > &reactants, const std::vector< fourdst::atomic::Species > &products, const double qValue, const std::string_view label, const RateCoefficientSet &sets, const bool reverse=false)</div><div class="ttdoc">Constructs a Reaction object.</div><div class="ttdef"><b>Definition</b> <a href="#l00019">reaction.cpp:19</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a855ea65e4b62fb0cddc550424a4bc923"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a855ea65e4b62fb0cddc550424a4bc923">gridfire::reaction::Reaction::reactant_species</a></div><div class="ttdeci">std::unordered_set< fourdst::atomic::Species > reactant_species() const</div><div class="ttdoc">Gets a set of all unique reactant species.</div><div class="ttdef"><b>Definition</b> <a href="#l00098">reaction.cpp:98</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a85968076e686e67763f4fdf4f72a892e"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a85968076e686e67763f4fdf4f72a892e">gridfire::reaction::Reaction::rateCoefficients</a></div><div class="ttdeci">const RateCoefficientSet & rateCoefficients() const</div><div class="ttdoc">Gets the set of rate coefficients.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00140">reaction.h:140</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_a87a065b3c7806bcdb5eadb7de2978a11"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11">gridfire::reaction::Reaction::m_reactants</a></div><div class="ttdeci">std::vector< fourdst::atomic::Species > m_reactants</div><div class="ttdoc">Reactants of the reaction.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00268">reaction.h:268</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_aa1d71e38fc55ae691dbb9ec459a612a5"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#aa1d71e38fc55ae691dbb9ec459a612a5">gridfire::reaction::Reaction::excess_energy</a></div><div class="ttdeci">double excess_energy() const</div><div class="ttdoc">Calculates the excess energy from the mass difference of reactants and products.</div><div class="ttdef"><b>Definition</b> <a href="#l00144">reaction.cpp:144</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_aa61a9a024d7c4ff66a351ccd0277ec72"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72">gridfire::reaction::Reaction::m_rateCoefficients</a></div><div class="ttdeci">RateCoefficientSet m_rateCoefficients</div><div class="ttdoc">The seven rate coefficients.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00271">reaction.h:271</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_aa67d05dfabf007c1acad34052d9a1dba"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#aa67d05dfabf007c1acad34052d9a1dba">gridfire::reaction::Reaction::is_reverse</a></div><div class="ttdeci">bool is_reverse() const</div><div class="ttdoc">Checks if this is a reverse reaction rate.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00228">reaction.h:228</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_ab92785f331a446e51a0960b75d60b37b"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#ab92785f331a446e51a0960b75d60b37b">gridfire::reaction::Reaction::contains</a></div><div class="ttdeci">bool contains(const fourdst::atomic::Species &species) const</div><div class="ttdoc">Checks if the reaction involves a given species as a reactant or product.</div><div class="ttdef"><b>Definition</b> <a href="#l00068">reaction.cpp:68</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_abbe243affa61ba9b2cd2a7b905cd5e45"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#abbe243affa61ba9b2cd2a7b905cd5e45">gridfire::reaction::Reaction::contains_reactant</a></div><div class="ttdeci">bool contains_reactant(const fourdst::atomic::Species &species) const</div><div class="ttdoc">Checks if the reaction involves a given species as a reactant.</div><div class="ttdef"><b>Definition</b> <a href="#l00073">reaction.cpp:73</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_abda0b4e4313e6d4ba57acf37d5976fb8"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#abda0b4e4313e6d4ba57acf37d5976fb8">gridfire::reaction::Reaction::qValue</a></div><div class="ttdeci">double qValue() const</div><div class="ttdoc">Gets the Q-value of the reaction.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00210">reaction.h:210</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_ad359c06d7196c1a7a955a7b66a51dbe3"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#ad359c06d7196c1a7a955a7b66a51dbe3">gridfire::reaction::Reaction::stoichiometry</a></div><div class="ttdeci">std::unordered_map< fourdst::atomic::Species, int > stoichiometry() const</div><div class="ttdoc">Gets a map of all species to their stoichiometric coefficients.</div><div class="ttdef"><b>Definition</b> <a href="#l00133">reaction.cpp:133</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_ad81e9b2a1773470059ca6989c60556ec"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#ad81e9b2a1773470059ca6989c60556ec">gridfire::reaction::Reaction::calculate_rate</a></div><div class="ttdeci">virtual double calculate_rate(const double T9) const</div><div class="ttdoc">Calculates the reaction rate for a given temperature.</div><div class="ttdef"><b>Definition</b> <a href="#l00039">reaction.cpp:39</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_reaction_html_af6c20e6d03a2d9f87632f71a90b88cb5"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#af6c20e6d03a2d9f87632f71a90b88cb5">gridfire::reaction::Reaction::hash</a></div><div class="ttdeci">uint64_t hash(uint64_t seed=0) const</div><div class="ttdoc">Computes a hash for the reaction based on its ID.</div><div class="ttdef"><b>Definition</b> <a href="#l00157">reaction.cpp:157</a></div></div>
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<div class="ttc" id="anamespacegridfire_1_1reaction_html"><div class="ttname"><a href="namespacegridfire_1_1reaction.html">gridfire::reaction</a></div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00025">reaction.h:25</a></div></div>
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<div class="ttc" id="anamespacegridfire_1_1reaction_html_aa86f08712565f278adacc7cd2361eb31"><div class="ttname"><a href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">gridfire::reaction::LogicalReactionSet</a></div><div class="ttdeci">TemplatedReactionSet< LogicalReaction > LogicalReactionSet</div><div class="ttdoc">A set of logical reactions.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00563">reaction.h:563</a></div></div>
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<div class="ttc" id="anamespacegridfire_1_1reaction_html_abfcfafc0cda0c3ed56930a12e7ead67f"><div class="ttname"><a href="namespacegridfire_1_1reaction.html#abfcfafc0cda0c3ed56930a12e7ead67f">gridfire::reaction::packReactionSetToLogicalReactionSet</a></div><div class="ttdeci">LogicalReactionSet packReactionSetToLogicalReactionSet(const ReactionSet &reactionSet)</div><div class="ttdef"><b>Definition</b> <a href="#l00273">reaction.cpp:273</a></div></div>
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<div class="ttc" id="anamespacegridfire_1_1reaction_html_ad838ce3fb6cc02c3fd90b924a0dd91b1"><div class="ttname"><a href="namespacegridfire_1_1reaction.html#ad838ce3fb6cc02c3fd90b924a0dd91b1">gridfire::reaction::ReactionSet</a></div><div class="ttdeci">TemplatedReactionSet< Reaction > ReactionSet</div><div class="ttdoc">A set of reactions, typically from a single source like REACLIB.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00562">reaction.h:562</a></div></div>
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<div class="ttc" id="anamespacegridfire_html"><div class="ttname"><a href="namespacegridfire.html">gridfire</a></div><div class="ttdef"><b>Definition</b> <a href="engine__abstract_8h_source.html#l00031">engine_abstract.h:31</a></div></div>
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<div class="ttc" id="anamespacestd_html"><div class="ttname"><a href="namespacestd.html">std</a></div><div class="ttdoc">STL namespace.</div></div>
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<div class="ttc" id="areaction_8h_html"><div class="ttname"><a href="reaction_8h.html">reaction.h</a></div><div class="ttdoc">Defines classes for representing and managing nuclear reactions.</div></div>
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<div class="ttc" id="astructgridfire_1_1reaction_1_1_rate_coefficient_set_html"><div class="ttname"><a href="structgridfire_1_1reaction_1_1_rate_coefficient_set.html">gridfire::reaction::RateCoefficientSet</a></div><div class="ttdoc">Holds the seven coefficients for the REACLIB rate equation.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00033">reaction.h:33</a></div></div>
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<div class="ttc" id="astructstd_1_1hash_3_01gridfire_1_1reaction_1_1_logical_reaction_set_01_4_html_a4b76e7119050266952ded94d6f0544cb"><div class="ttname"><a href="structstd_1_1hash_3_01gridfire_1_1reaction_1_1_logical_reaction_set_01_4.html#a4b76e7119050266952ded94d6f0544cb">std::hash< gridfire::reaction::LogicalReactionSet >::operator()</a></div><div class="ttdeci">size_t operator()(const gridfire::reaction::LogicalReactionSet &s) const noexcept</div><div class="ttdef"><b>Definition</b> <a href="#l00308">reaction.cpp:308</a></div></div>
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<div class="ttc" id="astructstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_01_4_html_a48224b63a80690e4f0620f1312be5dd9"><div class="ttname"><a href="structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_01_4.html#a48224b63a80690e4f0620f1312be5dd9">std::hash< gridfire::reaction::Reaction >::operator()</a></div><div class="ttdeci">size_t operator()(const gridfire::reaction::Reaction &r) const noexcept</div><div class="ttdef"><b>Definition</b> <a href="#l00294">reaction.cpp:294</a></div></div>
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<div class="ttc" id="astructstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_set_01_4_html_a32b976b3e3e4e0403c1295f9b467e921"><div class="ttname"><a href="structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_set_01_4.html#a32b976b3e3e4e0403c1295f9b467e921">std::hash< gridfire::reaction::ReactionSet >::operator()</a></div><div class="ttdeci">size_t operator()(const gridfire::reaction::ReactionSet &s) const noexcept</div><div class="ttdef"><b>Definition</b> <a href="#l00301">reaction.cpp:301</a></div></div>
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