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<a href="reaction_2bindings_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 <pybind11/pybind11.h></span></div>
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<div class="line"><a id="l00002" name="l00002"></a><span class="lineno"> 2</span><span class="preprocessor">#include <pybind11/stl.h></span> <span class="comment">// Needed for vectors, maps, sets, strings</span></div>
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<div class="line"><a id="l00003" name="l00003"></a><span class="lineno"> 3</span><span class="preprocessor">#include <pybind11/stl_bind.h></span> <span class="comment">// Needed for binding std::vector, std::map etc if needed directly</span></div>
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<div class="line"><a id="l00004" name="l00004"></a><span class="lineno"> 4</span> </div>
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<div class="line"><a id="l00005" name="l00005"></a><span class="lineno"> 5</span><span class="preprocessor">#include <string_view></span></div>
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<div class="line"><a id="l00006" name="l00006"></a><span class="lineno"> 6</span><span class="preprocessor">#include <vector></span></div>
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<div class="line"><a id="l00007" name="l00007"></a><span class="lineno"> 7</span> </div>
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<div class="line"><a id="l00008" name="l00008"></a><span class="lineno"> 8</span><span class="preprocessor">#include "<a class="code" href="reaction_2bindings_8h.html">bindings.h</a>"</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 "<a class="code" href="reaction_8h.html">gridfire/reaction/reaction.h</a>"</span></div>
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<div class="line"><a id="l00011" name="l00011"></a><span class="lineno"> 11</span><span class="preprocessor">#include "<a class="code" href="reaclib_8h.html">gridfire/reaction/reaclib.h</a>"</span></div>
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<div class="line"><a id="l00012" name="l00012"></a><span class="lineno"> 12</span> </div>
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<div class="line"><a id="l00013" name="l00013"></a><span class="lineno"> 13</span><span class="keyword">namespace </span>py = pybind11;</div>
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<div class="line"><a id="l00014" name="l00014"></a><span class="lineno"> 14</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="foldopen" id="foldopen00016" data-start="{" data-end="}">
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<div class="line"><a id="l00016" name="l00016"></a><span class="lineno"><a class="line" href="reaction_2bindings_8cpp.html#ae174b115814ec42920a799881cef1efa"> 16</a></span><span class="keywordtype">void</span> <a class="code hl_function" href="reaction_2bindings_8cpp.html#ae174b115814ec42920a799881cef1efa">register_reaction_bindings</a>(py::module &m) {</div>
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<div class="line"><a id="l00017" name="l00017"></a><span class="lineno"> 17</span> py::class_<gridfire::reaction::RateCoefficientSet>(m, <span class="stringliteral">"RateCoefficientSet"</span>)</div>
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<div class="line"><a id="l00018" name="l00018"></a><span class="lineno"> 18</span> .def(py::init<double, double, double, double, double, double, double>(),</div>
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<div class="line"><a id="l00019" name="l00019"></a><span class="lineno"> 19</span> py::arg(<span class="stringliteral">"a0"</span>), py::arg(<span class="stringliteral">"a1"</span>), py::arg(<span class="stringliteral">"a2"</span>), py::arg(<span class="stringliteral">"a3"</span>),</div>
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<div class="line"><a id="l00020" name="l00020"></a><span class="lineno"> 20</span> py::arg(<span class="stringliteral">"a4"</span>), py::arg(<span class="stringliteral">"a5"</span>), py::arg(<span class="stringliteral">"a6"</span>),</div>
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<div class="line"><a id="l00021" name="l00021"></a><span class="lineno"> 21</span> <span class="stringliteral">"Construct a RateCoefficientSet with the given parameters."</span></div>
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<div class="line"><a id="l00022" name="l00022"></a><span class="lineno"> 22</span> );</div>
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<div class="line"><a id="l00023" name="l00023"></a><span class="lineno"> 23</span> </div>
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<div class="line"><a id="l00024" name="l00024"></a><span class="lineno"> 24</span> <span class="keyword">using </span>fourdst::atomic::Species;</div>
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<div class="line"><a id="l00025" name="l00025"></a><span class="lineno"> 25</span> py::class_<gridfire::reaction::Reaction>(m, <span class="stringliteral">"Reaction"</span>)</div>
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<div class="line"><a id="l00026" name="l00026"></a><span class="lineno"> 26</span> .def(py::init<<span class="keyword">const</span> std::string_view, <span class="keyword">const</span> std::string_view, <span class="keywordtype">int</span>, <span class="keyword">const</span> std::vector<Species>&, <span class="keyword">const</span> std::vector<Species>&, <span class="keywordtype">double</span>, std::string_view, <a class="code hl_struct" href="structgridfire_1_1reaction_1_1_rate_coefficient_set.html">gridfire::reaction::RateCoefficientSet</a>, <span class="keywordtype">bool</span>>(),</div>
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<div class="line"><a id="l00027" name="l00027"></a><span class="lineno"> 27</span> py::arg(<span class="stringliteral">"id"</span>), py::arg(<span class="stringliteral">"peName"</span>), py::arg(<span class="stringliteral">"chapter"</span>),</div>
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<div class="line"><a id="l00028" name="l00028"></a><span class="lineno"> 28</span> py::arg(<span class="stringliteral">"reactants"</span>), py::arg(<span class="stringliteral">"products"</span>), py::arg(<span class="stringliteral">"qValue"</span>),</div>
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<div class="line"><a id="l00029" name="l00029"></a><span class="lineno"> 29</span> py::arg(<span class="stringliteral">"label"</span>), py::arg(<span class="stringliteral">"sets"</span>), py::arg(<span class="stringliteral">"reverse"</span>) = <span class="keyword">false</span>,</div>
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<div class="line"><a id="l00030" name="l00030"></a><span class="lineno"> 30</span> <span class="stringliteral">"Construct a Reaction with the given parameters."</span>)</div>
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<div class="line"><a id="l00031" name="l00031"></a><span class="lineno"> 31</span> .def(<span class="stringliteral">"calculate_rate"</span>, <span class="keyword">static_cast<</span><span class="keywordtype">double</span> (<a class="code hl_class" href="classgridfire_1_1reaction_1_1_reaction.html">gridfire::reaction::Reaction</a>::*)(<span class="keywordtype">double</span>) const<span class="keyword">></span>(&<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#ad81e9b2a1773470059ca6989c60556ec">gridfire::reaction::Reaction::calculate_rate</a>),</div>
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<div class="line"><a id="l00032" name="l00032"></a><span class="lineno"> 32</span> py::arg(<span class="stringliteral">"T9"</span>), <span class="stringliteral">"Calculate the reaction rate at a given temperature T9 (in units of 10^9 K)."</span>)</div>
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<div class="line"><a id="l00033" name="l00033"></a><span class="lineno"> 33</span> .def(<span class="stringliteral">"peName"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a78f42664cc957e266b6cf15fda09be97">gridfire::reaction::Reaction::peName</a>,</div>
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<div class="line"><a id="l00034" name="l00034"></a><span class="lineno"> 34</span> <span class="stringliteral">"Get the reaction name in (projectile, ejectile) notation (e.g., 'p(p,g)d')."</span>)</div>
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<div class="line"><a id="l00035" name="l00035"></a><span class="lineno"> 35</span> .def(<span class="stringliteral">"chapter"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a5cb438adfefb640e4bc58e09053bd629">gridfire::reaction::Reaction::chapter</a>,</div>
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<div class="line"><a id="l00036" name="l00036"></a><span class="lineno"> 36</span> <span class="stringliteral">"Get the REACLIB chapter number defining the reaction structure."</span>)</div>
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<div class="line"><a id="l00037" name="l00037"></a><span class="lineno"> 37</span> .def(<span class="stringliteral">"sourceLabel"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a410e2ab0784ad751f82bbe55be603db0">gridfire::reaction::Reaction::sourceLabel</a>,</div>
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<div class="line"><a id="l00038" name="l00038"></a><span class="lineno"> 38</span> <span class="stringliteral">"Get the source label for the rate data (e.g., 'wc12w', 'st08')."</span>)</div>
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<div class="line"><a id="l00039" name="l00039"></a><span class="lineno"> 39</span> .def(<span class="stringliteral">"rateCoefficients"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a85968076e686e67763f4fdf4f72a892e">gridfire::reaction::Reaction::rateCoefficients</a>,</div>
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<div class="line"><a id="l00040" name="l00040"></a><span class="lineno"> 40</span> <span class="stringliteral">"get the set of rate coefficients."</span>)</div>
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<div class="line"><a id="l00041" name="l00041"></a><span class="lineno"> 41</span> .def(<span class="stringliteral">"contains"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#ab92785f331a446e51a0960b75d60b37b">gridfire::reaction::Reaction::contains</a>,</div>
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<div class="line"><a id="l00042" name="l00042"></a><span class="lineno"> 42</span> py::arg(<span class="stringliteral">"species"</span>), <span class="stringliteral">"Check if the reaction contains a specific species."</span>)</div>
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<div class="line"><a id="l00043" name="l00043"></a><span class="lineno"> 43</span> .def(<span class="stringliteral">"contains_reactant"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#abbe243affa61ba9b2cd2a7b905cd5e45">gridfire::reaction::Reaction::contains_reactant</a>,</div>
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||
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<div class="line"><a id="l00044" name="l00044"></a><span class="lineno"> 44</span> <span class="stringliteral">"Check if the reaction contains a specific reactant species."</span>)</div>
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<div class="line"><a id="l00045" name="l00045"></a><span class="lineno"> 45</span> .def(<span class="stringliteral">"contains_product"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a074d3cd2421fd5d0133e47f0522403e2">gridfire::reaction::Reaction::contains_product</a>,</div>
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<div class="line"><a id="l00046" name="l00046"></a><span class="lineno"> 46</span> <span class="stringliteral">"Check if the reaction contains a specific product species."</span>)</div>
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<div class="line"><a id="l00047" name="l00047"></a><span class="lineno"> 47</span> .def(<span class="stringliteral">"all_species"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a7dc8fda87e0581fde6da0a81cf4d7224">gridfire::reaction::Reaction::all_species</a>,</div>
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<div class="line"><a id="l00048" name="l00048"></a><span class="lineno"> 48</span> <span class="stringliteral">"Get all species involved in the reaction (both reactants and products) as a set."</span>)</div>
|
||
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<div class="line"><a id="l00049" name="l00049"></a><span class="lineno"> 49</span> .def(<span class="stringliteral">"reactant_species"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a855ea65e4b62fb0cddc550424a4bc923">gridfire::reaction::Reaction::reactant_species</a>,</div>
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<div class="line"><a id="l00050" name="l00050"></a><span class="lineno"> 50</span> <span class="stringliteral">"Get the reactant species of the reaction as a set."</span>)</div>
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<div class="line"><a id="l00051" name="l00051"></a><span class="lineno"> 51</span> .def(<span class="stringliteral">"product_species"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a01c67726efbaa2ff8e4d6f2c965f485c">gridfire::reaction::Reaction::product_species</a>,</div>
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<div class="line"><a id="l00052" name="l00052"></a><span class="lineno"> 52</span> <span class="stringliteral">"Get the product species of the reaction as a set."</span>)</div>
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||
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<div class="line"><a id="l00053" name="l00053"></a><span class="lineno"> 53</span> .def(<span class="stringliteral">"num_species"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a1d3c8ab6d55155f9a21ad80ed8b9ef97">gridfire::reaction::Reaction::num_species</a>,</div>
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<div class="line"><a id="l00054" name="l00054"></a><span class="lineno"> 54</span> <span class="stringliteral">"Count the number of species in the reaction."</span>)</div>
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<div class="line"><a id="l00055" name="l00055"></a><span class="lineno"> 55</span> .def(<span class="stringliteral">"stoichiometry"</span>, <span class="keyword">static_cast<</span><span class="keywordtype">int</span> (<a class="code hl_class" href="classgridfire_1_1reaction_1_1_reaction.html">gridfire::reaction::Reaction</a>::*)(<span class="keyword">const </span>Species&) const<span class="keyword">></span>(&<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#aaf0c94db6536b4a9ac1ec08a5c8f01ac">gridfire::reaction::Reaction::stoichiometry</a>),</div>
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<div class="line"><a id="l00056" name="l00056"></a><span class="lineno"> 56</span> py::arg(<span class="stringliteral">"species"</span>),</div>
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<div class="line"><a id="l00057" name="l00057"></a><span class="lineno"> 57</span> <span class="stringliteral">"Get the stoichiometry of the reaction as a map from species to their coefficients."</span>)</div>
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<div class="line"><a id="l00058" name="l00058"></a><span class="lineno"> 58</span> .def(<span class="stringliteral">"stoichiometry"</span>, <span class="keyword">static_cast<</span>std::unordered_map<Species, int> (<a class="code hl_class" href="classgridfire_1_1reaction_1_1_reaction.html">gridfire::reaction::Reaction</a>::*)() const<span class="keyword">></span>(&<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#aaf0c94db6536b4a9ac1ec08a5c8f01ac">gridfire::reaction::Reaction::stoichiometry</a>),</div>
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||
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<div class="line"><a id="l00059" name="l00059"></a><span class="lineno"> 59</span> <span class="stringliteral">"Get the stoichiometry of the reaction as a map from species to their coefficients."</span>)</div>
|
||
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<div class="line"><a id="l00060" name="l00060"></a><span class="lineno"> 60</span> .def(<span class="stringliteral">"id"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a084c38181408ed5e6fa2a2dd4d0ec905">gridfire::reaction::Reaction::id</a>,</div>
|
||
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<div class="line"><a id="l00061" name="l00061"></a><span class="lineno"> 61</span> <span class="stringliteral">"Get the unique identifier of the reaction."</span>)</div>
|
||
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|
<div class="line"><a id="l00062" name="l00062"></a><span class="lineno"> 62</span> .def(<span class="stringliteral">"qValue"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#abda0b4e4313e6d4ba57acf37d5976fb8">gridfire::reaction::Reaction::qValue</a>,</div>
|
||
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<div class="line"><a id="l00063" name="l00063"></a><span class="lineno"> 63</span> <span class="stringliteral">"Get the Q-value of the reaction in MeV."</span>)</div>
|
||
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<div class="line"><a id="l00064" name="l00064"></a><span class="lineno"> 64</span> .def(<span class="stringliteral">"reactants"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b">gridfire::reaction::Reaction::reactants</a>,</div>
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||
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<div class="line"><a id="l00065" name="l00065"></a><span class="lineno"> 65</span> <span class="stringliteral">"Get a list of reactant species in the reaction."</span>)</div>
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||
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<div class="line"><a id="l00066" name="l00066"></a><span class="lineno"> 66</span> .def(<span class="stringliteral">"products"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#a6e2ff61b9e8409f2a561663628b8ce02">gridfire::reaction::Reaction::products</a>,</div>
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||
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<div class="line"><a id="l00067" name="l00067"></a><span class="lineno"> 67</span> <span class="stringliteral">"Get a list of product species in the reaction."</span>)</div>
|
||
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<div class="line"><a id="l00068" name="l00068"></a><span class="lineno"> 68</span> .def(<span class="stringliteral">"is_reverse"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#aa67d05dfabf007c1acad34052d9a1dba">gridfire::reaction::Reaction::is_reverse</a>,</div>
|
||
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<div class="line"><a id="l00069" name="l00069"></a><span class="lineno"> 69</span> <span class="stringliteral">"Check if this is a reverse reaction rate."</span>)</div>
|
||
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<div class="line"><a id="l00070" name="l00070"></a><span class="lineno"> 70</span> .def(<span class="stringliteral">"excess_energy"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#aa1d71e38fc55ae691dbb9ec459a612a5">gridfire::reaction::Reaction::excess_energy</a>,</div>
|
||
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<div class="line"><a id="l00071" name="l00071"></a><span class="lineno"> 71</span> <span class="stringliteral">"Calculate the excess energy from the mass difference of reactants and products."</span>)</div>
|
||
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<div class="line"><a id="l00072" name="l00072"></a><span class="lineno"> 72</span> .def(<span class="stringliteral">"__eq__"</span>, &gridfire::reaction::Reaction::operator==,</div>
|
||
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<div class="line"><a id="l00073" name="l00073"></a><span class="lineno"> 73</span> <span class="stringliteral">"Equality operator for reactions based on their IDs."</span>)</div>
|
||
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<div class="line"><a id="l00074" name="l00074"></a><span class="lineno"> 74</span> .def(<span class="stringliteral">"__neq__"</span>, &gridfire::reaction::Reaction::operator!=,</div>
|
||
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<div class="line"><a id="l00075" name="l00075"></a><span class="lineno"> 75</span> <span class="stringliteral">"Inequality operator for reactions based on their IDs."</span>)</div>
|
||
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<div class="line"><a id="l00076" name="l00076"></a><span class="lineno"> 76</span> .def(<span class="stringliteral">"hash"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_reaction.html#af6c20e6d03a2d9f87632f71a90b88cb5">gridfire::reaction::Reaction::hash</a>,</div>
|
||
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<div class="line"><a id="l00077" name="l00077"></a><span class="lineno"> 77</span> py::arg(<span class="stringliteral">"seed"</span>) = 0,</div>
|
||
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<div class="line"><a id="l00078" name="l00078"></a><span class="lineno"> 78</span> <span class="stringliteral">"Compute a hash for the reaction based on its ID."</span>)</div>
|
||
|
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<div class="line"><a id="l00079" name="l00079"></a><span class="lineno"> 79</span> .def(<span class="stringliteral">"__repr__"</span>, [](<span class="keyword">const</span> <a class="code hl_class" href="classgridfire_1_1reaction_1_1_reaction.html">gridfire::reaction::Reaction</a>& self) {</div>
|
||
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<div class="line"><a id="l00080" name="l00080"></a><span class="lineno"> 80</span> std::stringstream ss;</div>
|
||
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<div class="line"><a id="l00081" name="l00081"></a><span class="lineno"> 81</span> ss << self; <span class="comment">// Use the existing operator<< for Reaction</span></div>
|
||
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<div class="line"><a id="l00082" name="l00082"></a><span class="lineno"> 82</span> <span class="keywordflow">return</span> ss.str();</div>
|
||
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|
<div class="line"><a id="l00083" name="l00083"></a><span class="lineno"> 83</span> });</div>
|
||
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<div class="line"><a id="l00084" name="l00084"></a><span class="lineno"> 84</span> </div>
|
||
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<div class="line"><a id="l00085" name="l00085"></a><span class="lineno"> 85</span> py::class_<gridfire::reaction::LogicalReaction, gridfire::reaction::Reaction>(m, <span class="stringliteral">"LogicalReaction"</span>)</div>
|
||
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<div class="line"><a id="l00086" name="l00086"></a><span class="lineno"> 86</span> .def(py::init<<span class="keyword">const</span> std::vector<gridfire::reaction::Reaction>>(),</div>
|
||
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<div class="line"><a id="l00087" name="l00087"></a><span class="lineno"> 87</span> py::arg(<span class="stringliteral">"reactions"</span>),</div>
|
||
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<div class="line"><a id="l00088" name="l00088"></a><span class="lineno"> 88</span> <span class="stringliteral">"Construct a LogicalReaction from a vector of Reaction objects."</span>)</div>
|
||
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<div class="line"><a id="l00089" name="l00089"></a><span class="lineno"> 89</span> .def(<span class="stringliteral">"add_reaction"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a14a24cb8ea25a1514134acc51197f1de">gridfire::reaction::LogicalReaction::add_reaction</a>,</div>
|
||
|
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<div class="line"><a id="l00090" name="l00090"></a><span class="lineno"> 90</span> py::arg(<span class="stringliteral">"reaction"</span>),</div>
|
||
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<div class="line"><a id="l00091" name="l00091"></a><span class="lineno"> 91</span> <span class="stringliteral">"Add another Reaction source to this logical reaction."</span>)</div>
|
||
|
|
<div class="line"><a id="l00092" name="l00092"></a><span class="lineno"> 92</span> .def(<span class="stringliteral">"size"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_logical_reaction.html#afa41050855b842c63db16c94d2e9b897">gridfire::reaction::LogicalReaction::size</a>,</div>
|
||
|
|
<div class="line"><a id="l00093" name="l00093"></a><span class="lineno"> 93</span> <span class="stringliteral">"Get the number of source rates contributing to this logical reaction."</span>)</div>
|
||
|
|
<div class="line"><a id="l00094" name="l00094"></a><span class="lineno"> 94</span> .def(<span class="stringliteral">"__len__"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_logical_reaction.html#afa41050855b842c63db16c94d2e9b897">gridfire::reaction::LogicalReaction::size</a>,</div>
|
||
|
|
<div class="line"><a id="l00095" name="l00095"></a><span class="lineno"> 95</span> <span class="stringliteral">"Overload len() to return the number of source rates."</span>)</div>
|
||
|
|
<div class="line"><a id="l00096" name="l00096"></a><span class="lineno"> 96</span> .def(<span class="stringliteral">"sources"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_logical_reaction.html#add094eda0e71126f8443698d7f3317f4">gridfire::reaction::LogicalReaction::sources</a>,</div>
|
||
|
|
<div class="line"><a id="l00097" name="l00097"></a><span class="lineno"> 97</span> <span class="stringliteral">"Get the list of source labels for the aggregated rates."</span>)</div>
|
||
|
|
<div class="line"><a id="l00098" name="l00098"></a><span class="lineno"> 98</span> .def(<span class="stringliteral">"calculate_rate"</span>, <span class="keyword">static_cast<</span><span class="keywordtype">double</span> (<a class="code hl_class" href="classgridfire_1_1reaction_1_1_logical_reaction.html">gridfire::reaction::LogicalReaction</a>::*)(<span class="keywordtype">double</span>) const<span class="keyword">></span>(&<a class="code hl_function" href="classgridfire_1_1reaction_1_1_logical_reaction.html#a1d2fb3b6a6a1860ace98b32447d1dd1b">gridfire::reaction::LogicalReaction::calculate_rate</a>),</div>
|
||
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|
<div class="line"><a id="l00099" name="l00099"></a><span class="lineno"> 99</span> py::arg(<span class="stringliteral">"T9"</span>), <span class="stringliteral">"Calculate the reaction rate at a given temperature T9 (in units of 10^9 K)."</span>)</div>
|
||
|
|
<div class="line"><a id="l00100" name="l00100"></a><span class="lineno"> 100</span> .def(<span class="stringliteral">"calculate_forward_rate_log_derivative"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_logical_reaction.html#aa4b8d0d30459f360ff6e29d848e943d5">gridfire::reaction::LogicalReaction::calculate_forward_rate_log_derivative</a>,</div>
|
||
|
|
<div class="line"><a id="l00101" name="l00101"></a><span class="lineno"> 101</span> py::arg(<span class="stringliteral">"T9"</span>), <span class="stringliteral">"Calculate the forward rate log derivative at a given temperature T9 (in units of 10^9 K)."</span>);</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> py::class_<gridfire::reaction::LogicalReactionSet>(m, <span class="stringliteral">"LogicalReactionSet"</span>)</div>
|
||
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|
<div class="line"><a id="l00104" name="l00104"></a><span class="lineno"> 104</span> .def(py::init<<span class="keyword">const</span> std::vector<gridfire::reaction::LogicalReaction>>(),</div>
|
||
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|
<div class="line"><a id="l00105" name="l00105"></a><span class="lineno"> 105</span> py::arg(<span class="stringliteral">"reactions"</span>),</div>
|
||
|
|
<div class="line"><a id="l00106" name="l00106"></a><span class="lineno"> 106</span> <span class="stringliteral">"Construct a LogicalReactionSet from a vector of LogicalReaction objects."</span>)</div>
|
||
|
|
<div class="line"><a id="l00107" name="l00107"></a><span class="lineno"> 107</span> .def(py::init<>(),</div>
|
||
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<div class="line"><a id="l00108" name="l00108"></a><span class="lineno"> 108</span> <span class="stringliteral">"Default constructor for an empty LogicalReactionSet."</span>)</div>
|
||
|
|
<div class="line"><a id="l00109" name="l00109"></a><span class="lineno"> 109</span> .def(py::init<const gridfire::reaction::LogicalReactionSet&>(),</div>
|
||
|
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<div class="line"><a id="l00110" name="l00110"></a><span class="lineno"> 110</span> py::arg(<span class="stringliteral">"other"</span>),</div>
|
||
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<div class="line"><a id="l00111" name="l00111"></a><span class="lineno"> 111</span> <span class="stringliteral">"Copy constructor for LogicalReactionSet."</span>)</div>
|
||
|
|
<div class="line"><a id="l00112" name="l00112"></a><span class="lineno"> 112</span> .def(<span class="stringliteral">"add_reaction"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a339dbbf883b6ae20e33d9782d8376bcf">gridfire::reaction::LogicalReactionSet::add_reaction</a>,</div>
|
||
|
|
<div class="line"><a id="l00113" name="l00113"></a><span class="lineno"> 113</span> py::arg(<span class="stringliteral">"reaction"</span>),</div>
|
||
|
|
<div class="line"><a id="l00114" name="l00114"></a><span class="lineno"> 114</span> <span class="stringliteral">"Add a LogicalReaction to the set."</span>)</div>
|
||
|
|
<div class="line"><a id="l00115" name="l00115"></a><span class="lineno"> 115</span> .def(<span class="stringliteral">"remove_reaction"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a89c4c5af12aef7fbfc24316c88237e22">gridfire::reaction::LogicalReactionSet::remove_reaction</a>,</div>
|
||
|
|
<div class="line"><a id="l00116" name="l00116"></a><span class="lineno"> 116</span> py::arg(<span class="stringliteral">"reaction"</span>),</div>
|
||
|
|
<div class="line"><a id="l00117" name="l00117"></a><span class="lineno"> 117</span> <span class="stringliteral">"Remove a LogicalReaction from the set."</span>)</div>
|
||
|
|
<div class="line"><a id="l00118" name="l00118"></a><span class="lineno"> 118</span> .def(<span class="stringliteral">"contains"</span>, py::overload_cast<const std::string_view&>(&<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a7777ecd0f594fdf66ce57d22610fad3c">gridfire::reaction::LogicalReactionSet::contains</a>, py::const_),</div>
|
||
|
|
<div class="line"><a id="l00119" name="l00119"></a><span class="lineno"> 119</span> py::arg(<span class="stringliteral">"id"</span>),</div>
|
||
|
|
<div class="line"><a id="l00120" name="l00120"></a><span class="lineno"> 120</span> <span class="stringliteral">"Check if the set contains a specific LogicalReaction."</span>)</div>
|
||
|
|
<div class="line"><a id="l00121" name="l00121"></a><span class="lineno"> 121</span> .def(<span class="stringliteral">"contains"</span>, py::overload_cast<const gridfire::reaction::Reaction&>(&<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a7777ecd0f594fdf66ce57d22610fad3c">gridfire::reaction::LogicalReactionSet::contains</a>, py::const_),</div>
|
||
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|
<div class="line"><a id="l00122" name="l00122"></a><span class="lineno"> 122</span> py::arg(<span class="stringliteral">"reaction"</span>),</div>
|
||
|
|
<div class="line"><a id="l00123" name="l00123"></a><span class="lineno"> 123</span> <span class="stringliteral">"Check if the set contains a specific Reaction."</span>)</div>
|
||
|
|
<div class="line"><a id="l00124" name="l00124"></a><span class="lineno"> 124</span> .def(<span class="stringliteral">"size"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a6a1dc3c56690386ae9f6aa5c2aa37ba2">gridfire::reaction::LogicalReactionSet::size</a>,</div>
|
||
|
|
<div class="line"><a id="l00125" name="l00125"></a><span class="lineno"> 125</span> <span class="stringliteral">"Get the number of LogicalReactions in the set."</span>)</div>
|
||
|
|
<div class="line"><a id="l00126" name="l00126"></a><span class="lineno"> 126</span> .def(<span class="stringliteral">"__len__"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a6a1dc3c56690386ae9f6aa5c2aa37ba2">gridfire::reaction::LogicalReactionSet::size</a>,</div>
|
||
|
|
<div class="line"><a id="l00127" name="l00127"></a><span class="lineno"> 127</span> <span class="stringliteral">"Overload len() to return the number of LogicalReactions."</span>)</div>
|
||
|
|
<div class="line"><a id="l00128" name="l00128"></a><span class="lineno"> 128</span> .def(<span class="stringliteral">"clear"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a05f71d318564d880079fd6c96d59ae21">gridfire::reaction::LogicalReactionSet::clear</a>,</div>
|
||
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<div class="line"><a id="l00129" name="l00129"></a><span class="lineno"> 129</span> <span class="stringliteral">"Remove all LogicalReactions from the set."</span>)</div>
|
||
|
|
<div class="line"><a id="l00130" name="l00130"></a><span class="lineno"> 130</span> .def(<span class="stringliteral">"containes_species"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#ad870856d206d93f27125c88d44ff9e34">gridfire::reaction::LogicalReactionSet::contains_species</a>,</div>
|
||
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<div class="line"><a id="l00131" name="l00131"></a><span class="lineno"> 131</span> py::arg(<span class="stringliteral">"species"</span>),</div>
|
||
|
|
<div class="line"><a id="l00132" name="l00132"></a><span class="lineno"> 132</span> <span class="stringliteral">"Check if any reaction in the set involves the given species."</span>)</div>
|
||
|
|
<div class="line"><a id="l00133" name="l00133"></a><span class="lineno"> 133</span> .def(<span class="stringliteral">"contains_reactant"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#ac42606350d7557106f7954b1f114c128">gridfire::reaction::LogicalReactionSet::contains_reactant</a>,</div>
|
||
|
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<div class="line"><a id="l00134" name="l00134"></a><span class="lineno"> 134</span> py::arg(<span class="stringliteral">"species"</span>),</div>
|
||
|
|
<div class="line"><a id="l00135" name="l00135"></a><span class="lineno"> 135</span> <span class="stringliteral">"Check if any reaction in the set has the species as a reactant."</span>)</div>
|
||
|
|
<div class="line"><a id="l00136" name="l00136"></a><span class="lineno"> 136</span> .def(<span class="stringliteral">"contains_product"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a443ec5d7138764b32975232e13071ccf">gridfire::reaction::LogicalReactionSet::contains_product</a>,</div>
|
||
|
|
<div class="line"><a id="l00137" name="l00137"></a><span class="lineno"> 137</span> py::arg(<span class="stringliteral">"species"</span>),</div>
|
||
|
|
<div class="line"><a id="l00138" name="l00138"></a><span class="lineno"> 138</span> <span class="stringliteral">"Check if any reaction in the set has the species as a product."</span>)</div>
|
||
|
|
<div class="line"><a id="l00139" name="l00139"></a><span class="lineno"> 139</span> .def(<span class="stringliteral">"__getitem__"</span>, py::overload_cast<size_t>(&gridfire::reaction::LogicalReactionSet::operator[], py::const_),</div>
|
||
|
|
<div class="line"><a id="l00140" name="l00140"></a><span class="lineno"> 140</span> py::arg(<span class="stringliteral">"index"</span>),</div>
|
||
|
|
<div class="line"><a id="l00141" name="l00141"></a><span class="lineno"> 141</span> <span class="stringliteral">"Get a LogicalReaction by index."</span>)</div>
|
||
|
|
<div class="line"><a id="l00142" name="l00142"></a><span class="lineno"> 142</span> .def(<span class="stringliteral">"__getitem___"</span>, py::overload_cast<const std::string_view&>(&gridfire::reaction::LogicalReactionSet::operator[], py::const_),</div>
|
||
|
|
<div class="line"><a id="l00143" name="l00143"></a><span class="lineno"> 143</span> py::arg(<span class="stringliteral">"id"</span>),</div>
|
||
|
|
<div class="line"><a id="l00144" name="l00144"></a><span class="lineno"> 144</span> <span class="stringliteral">"Get a LogicalReaction by its ID."</span>)</div>
|
||
|
|
<div class="line"><a id="l00145" name="l00145"></a><span class="lineno"> 145</span> .def(<span class="stringliteral">"__eq__"</span>, &gridfire::reaction::LogicalReactionSet::operator==,</div>
|
||
|
|
<div class="line"><a id="l00146" name="l00146"></a><span class="lineno"> 146</span> py::arg(<span class="stringliteral">"LogicalReactionSet"</span>),</div>
|
||
|
|
<div class="line"><a id="l00147" name="l00147"></a><span class="lineno"> 147</span> <span class="stringliteral">"Equality operator for LogicalReactionSets based on their contents."</span>)</div>
|
||
|
|
<div class="line"><a id="l00148" name="l00148"></a><span class="lineno"> 148</span> .def(<span class="stringliteral">"__ne__"</span>, &gridfire::reaction::LogicalReactionSet::operator!=,</div>
|
||
|
|
<div class="line"><a id="l00149" name="l00149"></a><span class="lineno"> 149</span> py::arg(<span class="stringliteral">"LogicalReactionSet"</span>),</div>
|
||
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<div class="line"><a id="l00150" name="l00150"></a><span class="lineno"> 150</span> <span class="stringliteral">"Inequality operator for LogicalReactionSets based on their contents."</span>)</div>
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<div class="line"><a id="l00151" name="l00151"></a><span class="lineno"> 151</span> .def(<span class="stringliteral">"hash"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a272800016c83f259f5c6a92dc797353c">gridfire::reaction::LogicalReactionSet::hash</a>,</div>
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<div class="line"><a id="l00152" name="l00152"></a><span class="lineno"> 152</span> py::arg(<span class="stringliteral">"seed"</span>) = 0,</div>
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<div class="line"><a id="l00153" name="l00153"></a><span class="lineno"> 153</span> <span class="stringliteral">"Compute a hash for the LogicalReactionSet based on its contents."</span></div>
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<div class="line"><a id="l00154" name="l00154"></a><span class="lineno"> 154</span> )</div>
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<div class="line"><a id="l00155" name="l00155"></a><span class="lineno"> 155</span> .def(<span class="stringliteral">"__repr__"</span>, [](<span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">gridfire::reaction::LogicalReactionSet</a>& self) {</div>
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<div class="line"><a id="l00156" name="l00156"></a><span class="lineno"> 156</span> std::stringstream ss;</div>
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<div class="line"><a id="l00157" name="l00157"></a><span class="lineno"> 157</span> ss << self;</div>
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<div class="line"><a id="l00158" name="l00158"></a><span class="lineno"> 158</span> <span class="keywordflow">return</span> ss.str();</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 class="line"><a id="l00160" name="l00160"></a><span class="lineno"> 160</span> .def(<span class="stringliteral">"getReactionSetSpecies"</span>, &<a class="code hl_function" href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a1596de3439735a45ac344fa85ace6c82">gridfire::reaction::LogicalReactionSet::getReactionSetSpecies</a>,</div>
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<div class="line"><a id="l00161" name="l00161"></a><span class="lineno"> 161</span> <span class="stringliteral">"Get all species involved in the reactions of the set as a set of Species objects."</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="line"><a id="l00163" name="l00163"></a><span class="lineno"> 163</span> m.def(<span class="stringliteral">"packReactionSetToLogicalReactionSet"</span>,</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="namespacegridfire_1_1reaction.html#abfcfafc0cda0c3ed56930a12e7ead67f">gridfire::reaction::packReactionSetToLogicalReactionSet</a>,</div>
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<div class="line"><a id="l00165" name="l00165"></a><span class="lineno"> 165</span> py::arg(<span class="stringliteral">"reactionSet"</span>),</div>
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<div class="line"><a id="l00166" name="l00166"></a><span class="lineno"> 166</span> <span class="stringliteral">"Convert a ReactionSet to a LogicalReactionSet by aggregating reactions with the same peName."</span></div>
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<div class="line"><a id="l00167" name="l00167"></a><span class="lineno"> 167</span> );</div>
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<div class="line"><a id="l00168" name="l00168"></a><span class="lineno"> 168</span> </div>
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<div class="line"><a id="l00169" name="l00169"></a><span class="lineno"> 169</span> m.def(<span class="stringliteral">"get_all_reactions"</span>, &<a class="code hl_function" href="namespacegridfire_1_1reaclib.html#a91c7971c9d0a2971b9a6fa4d841c761d">gridfire::reaclib::get_all_reactions</a>,</div>
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<div class="line"><a id="l00170" name="l00170"></a><span class="lineno"> 170</span> <span class="stringliteral">"Get all reactions from the REACLIB database."</span>);</div>
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<div class="line"><a id="l00171" name="l00171"></a><span class="lineno"> 171</span>}</div>
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</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="reaction_8cpp_source.html#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="reaction_8cpp_source.html#l00214">reaction.cpp:214</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="reaction_8cpp_source.html#l00218">reaction.cpp:218</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_logical_reaction_html_add094eda0e71126f8443698d7f3317f4"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_logical_reaction.html#add094eda0e71126f8443698d7f3317f4">gridfire::reaction::LogicalReaction::sources</a></div><div class="ttdeci">std::vector< std::string > sources() const</div><div class="ttdoc">Gets the list of source labels for the aggregated rates.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00337">reaction.h:337</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_logical_reaction_html_afa41050855b842c63db16c94d2e9b897"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_logical_reaction.html#afa41050855b842c63db16c94d2e9b897">gridfire::reaction::LogicalReaction::size</a></div><div class="ttdeci">size_t size() const</div><div class="ttdoc">Gets the number of source rates contributing to this logical reaction.</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00331">reaction.h:331</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_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="reaction_8cpp_source.html#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="reaction_8cpp_source.html#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_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_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="reaction_8cpp_source.html#l00129">reaction.cpp:129</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_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_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_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="reaction_8cpp_source.html#l00091">reaction.cpp:91</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="reaction_8cpp_source.html#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_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="reaction_8cpp_source.html#l00144">reaction.cpp:144</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_aaf0c94db6536b4a9ac1ec08a5c8f01ac"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_reaction.html#aaf0c94db6536b4a9ac1ec08a5c8f01ac">gridfire::reaction::Reaction::stoichiometry</a></div><div class="ttdeci">int stoichiometry(const fourdst::atomic::Species &species) const</div><div class="ttdoc">Calculates the stoichiometric coefficient for a given species.</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="reaction_8cpp_source.html#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="reaction_8cpp_source.html#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_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="reaction_8cpp_source.html#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="reaction_8cpp_source.html#l00157">reaction.cpp:157</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_templated_reaction_set_html_a05f71d318564d880079fd6c96d59ae21"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a05f71d318564d880079fd6c96d59ae21">gridfire::reaction::TemplatedReactionSet< LogicalReaction >::clear</a></div><div class="ttdeci">void clear()</div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_templated_reaction_set_html_a1596de3439735a45ac344fa85ace6c82"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a1596de3439735a45ac344fa85ace6c82">gridfire::reaction::TemplatedReactionSet< LogicalReaction >::getReactionSetSpecies</a></div><div class="ttdeci">std::unordered_set< fourdst::atomic::Species > getReactionSetSpecies() const</div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_templated_reaction_set_html_a272800016c83f259f5c6a92dc797353c"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a272800016c83f259f5c6a92dc797353c">gridfire::reaction::TemplatedReactionSet< LogicalReaction >::hash</a></div><div class="ttdeci">uint64_t hash(uint64_t seed=0) const</div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_templated_reaction_set_html_a339dbbf883b6ae20e33d9782d8376bcf"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a339dbbf883b6ae20e33d9782d8376bcf">gridfire::reaction::TemplatedReactionSet< LogicalReaction >::add_reaction</a></div><div class="ttdeci">void add_reaction(LogicalReaction reaction)</div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_templated_reaction_set_html_a443ec5d7138764b32975232e13071ccf"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a443ec5d7138764b32975232e13071ccf">gridfire::reaction::TemplatedReactionSet< LogicalReaction >::contains_product</a></div><div class="ttdeci">bool contains_product(const fourdst::atomic::Species &species) const</div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_templated_reaction_set_html_a6a1dc3c56690386ae9f6aa5c2aa37ba2"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a6a1dc3c56690386ae9f6aa5c2aa37ba2">gridfire::reaction::TemplatedReactionSet< LogicalReaction >::size</a></div><div class="ttdeci">size_t size() const</div><div class="ttdef"><b>Definition</b> <a href="reaction_8h_source.html#l00459">reaction.h:459</a></div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_templated_reaction_set_html_a7777ecd0f594fdf66ce57d22610fad3c"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a7777ecd0f594fdf66ce57d22610fad3c">gridfire::reaction::TemplatedReactionSet< LogicalReaction >::contains</a></div><div class="ttdeci">bool contains(const std::string_view &id) const</div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_templated_reaction_set_html_a89c4c5af12aef7fbfc24316c88237e22"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#a89c4c5af12aef7fbfc24316c88237e22">gridfire::reaction::TemplatedReactionSet< LogicalReaction >::remove_reaction</a></div><div class="ttdeci">void remove_reaction(const LogicalReaction &reaction)</div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_templated_reaction_set_html_ac42606350d7557106f7954b1f114c128"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#ac42606350d7557106f7954b1f114c128">gridfire::reaction::TemplatedReactionSet< LogicalReaction >::contains_reactant</a></div><div class="ttdeci">bool contains_reactant(const fourdst::atomic::Species &species) const</div></div>
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<div class="ttc" id="aclassgridfire_1_1reaction_1_1_templated_reaction_set_html_ad870856d206d93f27125c88d44ff9e34"><div class="ttname"><a href="classgridfire_1_1reaction_1_1_templated_reaction_set.html#ad870856d206d93f27125c88d44ff9e34">gridfire::reaction::TemplatedReactionSet< LogicalReaction >::contains_species</a></div><div class="ttdeci">bool contains_species(const fourdst::atomic::Species &species) const</div></div>
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<div class="ttc" id="anamespacegridfire_1_1reaclib_html_a91c7971c9d0a2971b9a6fa4d841c761d"><div class="ttname"><a href="namespacegridfire_1_1reaclib.html#a91c7971c9d0a2971b9a6fa4d841c761d">gridfire::reaclib::get_all_reactions</a></div><div class="ttdeci">const reaction::LogicalReactionSet & get_all_reactions()</div><div class="ttdoc">Provides global access to the fully initialized REACLIB reaction set.</div><div class="ttdef"><b>Definition</b> <a href="reaclib_8cpp_source.html#l00138">reaclib.cpp:138</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="reaction_8cpp_source.html#l00273">reaction.cpp:273</a></div></div>
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<div class="ttc" id="areaclib_8h_html"><div class="ttname"><a href="reaclib_8h.html">reaclib.h</a></div></div>
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<div class="ttc" id="areaction_2bindings_8cpp_html_ae174b115814ec42920a799881cef1efa"><div class="ttname"><a href="reaction_2bindings_8cpp.html#ae174b115814ec42920a799881cef1efa">register_reaction_bindings</a></div><div class="ttdeci">void register_reaction_bindings(py::module &m)</div><div class="ttdef"><b>Definition</b> <a href="#l00016">bindings.cpp:16</a></div></div>
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<div class="ttc" id="areaction_2bindings_8h_html"><div class="ttname"><a href="reaction_2bindings_8h.html">bindings.h</a></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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