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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">reaclib.cpp</div></div>
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<a href="reaclib_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 "fourdst/composition/atomicSpecies.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 "fourdst/composition/species.h"</span></div>
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<div class="line"><a id="l00003" name="l00003"></a><span class="lineno"> 3</span> </div>
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<div class="line"><a id="l00004" name="l00004"></a><span class="lineno"> 4</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="l00005" name="l00005"></a><span class="lineno"> 5</span><span class="preprocessor">#include "<a class="code" href="reactions__data_8h.html">gridfire/reaction/reactions_data.h</a>"</span></div>
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<div class="line"><a id="l00006" name="l00006"></a><span class="lineno"> 6</span><span class="preprocessor">#include "<a class="code" href="network_8h.html">gridfire/network.h</a>"</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 <stdexcept></span></div>
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<div class="line"><a id="l00009" name="l00009"></a><span class="lineno"> 9</span><span class="preprocessor">#include <sstream></span></div>
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<div class="line"><a id="l00010" name="l00010"></a><span class="lineno"> 10</span><span class="preprocessor">#include <vector></span></div>
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<div class="line"><a id="l00011" name="l00011"></a><span class="lineno"> 11</span><span class="preprocessor">#include <string></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="foldopen" id="foldopen00013" data-start="{" data-end="}">
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<div class="line"><a id="l00013" name="l00013"></a><span class="lineno"><a class="line" href="reaclib_8cpp.html#a2c6902cf3e699a1a65e871efa878a6ab"> 13</a></span>std::string <a class="code hl_function" href="reaclib_8cpp.html#a2c6902cf3e699a1a65e871efa878a6ab">trim_whitespace</a>(<span class="keyword">const</span> std::string& str) {</div>
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<div class="line"><a id="l00014" name="l00014"></a><span class="lineno"> 14</span> <span class="keyword">auto</span> startIt = str.begin();</div>
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<div class="line"><a id="l00015" name="l00015"></a><span class="lineno"> 15</span> <span class="keyword">const</span> <span class="keyword">auto</span> endIt = str.end();</div>
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<div class="line"><a id="l00016" name="l00016"></a><span class="lineno"> 16</span> </div>
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<div class="line"><a id="l00017" name="l00017"></a><span class="lineno"> 17</span> <span class="keywordflow">while</span> (startIt != endIt && std::isspace(<span class="keyword">static_cast<</span><span class="keywordtype">unsigned</span> <span class="keywordtype">char</span><span class="keyword">></span>(*startIt))) {</div>
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<div class="line"><a id="l00018" name="l00018"></a><span class="lineno"> 18</span> ++startIt;</div>
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<div class="line"><a id="l00019" name="l00019"></a><span class="lineno"> 19</span> }</div>
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<div class="line"><a id="l00020" name="l00020"></a><span class="lineno"> 20</span> <span class="keywordflow">if</span> (startIt == endIt) {</div>
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<div class="line"><a id="l00021" name="l00021"></a><span class="lineno"> 21</span> <span class="keywordflow">return</span> <span class="stringliteral">""</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> <span class="keyword">const</span> <span class="keyword">auto</span> ritr = std::find_if(str.rbegin(), std::string::const_reverse_iterator(startIt),</div>
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<div class="line"><a id="l00024" name="l00024"></a><span class="lineno"> 24</span> [](<span class="keyword">const</span> <span class="keywordtype">unsigned</span> <span class="keywordtype">char</span> ch){ return !std::isspace(ch); });</div>
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<div class="line"><a id="l00025" name="l00025"></a><span class="lineno"> 25</span> <span class="keywordflow">return</span> std::string(startIt, ritr.base());</div>
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<div class="line"><a id="l00026" name="l00026"></a><span class="lineno"> 26</span>}</div>
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</div>
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<div class="line"><a id="l00027" name="l00027"></a><span class="lineno"> 27</span> </div>
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<div class="line"><a id="l00028" name="l00028"></a><span class="lineno"> 28</span><span class="keyword">namespace </span><a class="code hl_namespace" href="namespacegridfire_1_1reaclib.html">gridfire::reaclib</a> {</div>
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<div class="line"><a id="l00029" name="l00029"></a><span class="lineno"><a class="line" href="namespacegridfire_1_1reaclib.html#a5dba5efc372d2a9e9e846dfd6563f3c0"> 29</a></span> <span class="keyword">static</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">reaction::LogicalReactionSet</a>* <a class="code hl_variable" href="namespacegridfire_1_1reaclib.html#a5dba5efc372d2a9e9e846dfd6563f3c0">s_all_reaclib_reactions_ptr</a> = <span class="keyword">nullptr</span>;</div>
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<div class="line"><a id="l00030" name="l00030"></a><span class="lineno"> 30</span> </div>
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<div class="line"><a id="l00031" name="l00031"></a><span class="lineno"> 31</span><span class="preprocessor"> #pragma pack(push, 1)</span></div>
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<div class="foldopen" id="foldopen00032" data-start="{" data-end="};">
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<div class="line"><a id="l00032" name="l00032"></a><span class="lineno"><a class="line" href="structgridfire_1_1reaclib_1_1_reaction_record.html"> 32</a></span> <span class="keyword">struct </span><a class="code hl_struct" href="structgridfire_1_1reaclib_1_1_reaction_record.html">ReactionRecord</a> {</div>
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<div class="line"><a id="l00033" name="l00033"></a><span class="lineno"><a class="line" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a5c853b69a23b0a8c39ab4b55ac3fe3cc"> 33</a></span> int32_t <a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a5c853b69a23b0a8c39ab4b55ac3fe3cc">chapter</a>;</div>
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<div class="line"><a id="l00034" name="l00034"></a><span class="lineno"><a class="line" href="structgridfire_1_1reaclib_1_1_reaction_record.html#aeeb8a1e078a27420e398663825cce644"> 34</a></span> <span class="keywordtype">double</span> <a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#aeeb8a1e078a27420e398663825cce644">qValue</a>;</div>
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<div class="line"><a id="l00035" name="l00035"></a><span class="lineno"><a class="line" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a80803f612e574859fde0a163bca84bc0"> 35</a></span> <span class="keywordtype">double</span> <a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a80803f612e574859fde0a163bca84bc0">coeffs</a>[7];</div>
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<div class="line"><a id="l00036" name="l00036"></a><span class="lineno"><a class="line" href="structgridfire_1_1reaclib_1_1_reaction_record.html#aa1fd4f510d7c00d2e4197e9b9caf29fd"> 36</a></span> <span class="keywordtype">bool</span> <a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#aa1fd4f510d7c00d2e4197e9b9caf29fd">reverse</a>;</div>
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<div class="line"><a id="l00037" name="l00037"></a><span class="lineno"><a class="line" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a2165deb1c0a54a5086b496cf34604fa5"> 37</a></span> <span class="keywordtype">char</span> <a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a2165deb1c0a54a5086b496cf34604fa5">label</a>[8];</div>
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<div class="line"><a id="l00038" name="l00038"></a><span class="lineno"><a class="line" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a523b7cfb0a6d8ddccd785aef2f425ad1"> 38</a></span> <span class="keywordtype">char</span> <a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a523b7cfb0a6d8ddccd785aef2f425ad1">rpName</a>[64];</div>
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<div class="line"><a id="l00039" name="l00039"></a><span class="lineno"><a class="line" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a67afc513db8dbcc43d79733e22ca8d39"> 39</a></span> <span class="keywordtype">char</span> <a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a67afc513db8dbcc43d79733e22ca8d39">reactants_str</a>[128];</div>
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<div class="line"><a id="l00040" name="l00040"></a><span class="lineno"><a class="line" href="structgridfire_1_1reaclib_1_1_reaction_record.html#af1b1d3b0308d965ef0697b247fcf9082"> 40</a></span> <span class="keywordtype">char</span> <a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#af1b1d3b0308d965ef0697b247fcf9082">products_str</a>[128];</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><span class="preprocessor"> #pragma pack(pop)</span></div>
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<div class="line"><a id="l00043" name="l00043"></a><span class="lineno"> 43</span> </div>
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<div class="foldopen" id="foldopen00044" data-start="{" data-end="}">
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<div class="line"><a id="l00044" name="l00044"></a><span class="lineno"><a class="line" href="namespacegridfire_1_1reaclib.html#a6bb94d5adc7bb9db5a67f770f7453e63"> 44</a></span> std::ostream& <a class="code hl_function" href="namespacegridfire_1_1reaclib.html#a6bb94d5adc7bb9db5a67f770f7453e63">operator<<</a>(std::ostream& os, <span class="keyword">const</span> <a class="code hl_struct" href="structgridfire_1_1reaclib_1_1_reaction_record.html">ReactionRecord</a>& r) {</div>
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<div class="line"><a id="l00045" name="l00045"></a><span class="lineno"> 45</span> os << <span class="stringliteral">"Chapter: "</span> << r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a5c853b69a23b0a8c39ab4b55ac3fe3cc">chapter</a></div>
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<div class="line"><a id="l00046" name="l00046"></a><span class="lineno"> 46</span> << <span class="stringliteral">", Q-value: "</span> << r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#aeeb8a1e078a27420e398663825cce644">qValue</a></div>
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<div class="line"><a id="l00047" name="l00047"></a><span class="lineno"> 47</span> << <span class="stringliteral">", Coefficients: ["</span> << r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a80803f612e574859fde0a163bca84bc0">coeffs</a>[0] << <span class="stringliteral">", "</span> << r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a80803f612e574859fde0a163bca84bc0">coeffs</a>[1] << <span class="stringliteral">", "</span></div>
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<div class="line"><a id="l00048" name="l00048"></a><span class="lineno"> 48</span> << r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a80803f612e574859fde0a163bca84bc0">coeffs</a>[2] << <span class="stringliteral">", "</span> << r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a80803f612e574859fde0a163bca84bc0">coeffs</a>[3] << <span class="stringliteral">", "</span> << r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a80803f612e574859fde0a163bca84bc0">coeffs</a>[4] << <span class="stringliteral">", "</span></div>
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<div class="line"><a id="l00049" name="l00049"></a><span class="lineno"> 49</span> << r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a80803f612e574859fde0a163bca84bc0">coeffs</a>[5] << <span class="stringliteral">", "</span> << r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a80803f612e574859fde0a163bca84bc0">coeffs</a>[6] << <span class="stringliteral">"]"</span></div>
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<div class="line"><a id="l00050" name="l00050"></a><span class="lineno"> 50</span> << <span class="stringliteral">", Reverse: "</span> << (r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#aa1fd4f510d7c00d2e4197e9b9caf29fd">reverse</a> ? <span class="stringliteral">"true"</span> : <span class="stringliteral">"false"</span>)</div>
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<div class="line"><a id="l00051" name="l00051"></a><span class="lineno"> 51</span> << <span class="stringliteral">", Label: '"</span> << std::string(r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a2165deb1c0a54a5086b496cf34604fa5">label</a>, strnlen(r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a2165deb1c0a54a5086b496cf34604fa5">label</a>, <span class="keyword">sizeof</span>(r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a2165deb1c0a54a5086b496cf34604fa5">label</a>))) << <span class="stringliteral">"'"</span></div>
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<div class="line"><a id="l00052" name="l00052"></a><span class="lineno"> 52</span> << <span class="stringliteral">", RP Name: '"</span> << std::string(r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a523b7cfb0a6d8ddccd785aef2f425ad1">rpName</a>, strnlen(r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a523b7cfb0a6d8ddccd785aef2f425ad1">rpName</a>, <span class="keyword">sizeof</span>(r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a523b7cfb0a6d8ddccd785aef2f425ad1">rpName</a>))) << <span class="stringliteral">"'"</span></div>
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<div class="line"><a id="l00053" name="l00053"></a><span class="lineno"> 53</span> << <span class="stringliteral">", Reactants: '"</span> << std::string(r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a67afc513db8dbcc43d79733e22ca8d39">reactants_str</a>, strnlen(r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a67afc513db8dbcc43d79733e22ca8d39">reactants_str</a>, <span class="keyword">sizeof</span>(r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#a67afc513db8dbcc43d79733e22ca8d39">reactants_str</a>))) << <span class="stringliteral">"'"</span></div>
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<div class="line"><a id="l00054" name="l00054"></a><span class="lineno"> 54</span> << <span class="stringliteral">", Products: '"</span> << std::string(r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#af1b1d3b0308d965ef0697b247fcf9082">products_str</a>, strnlen(r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#af1b1d3b0308d965ef0697b247fcf9082">products_str</a>, <span class="keyword">sizeof</span>(r.<a class="code hl_variable" href="structgridfire_1_1reaclib_1_1_reaction_record.html#af1b1d3b0308d965ef0697b247fcf9082">products_str</a>))) << <span class="stringliteral">"'"</span>;</div>
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<div class="line"><a id="l00055" name="l00055"></a><span class="lineno"> 55</span> <span class="keywordflow">return</span> os;</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>
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<div class="line"><a id="l00057" name="l00057"></a><span class="lineno"> 57</span> </div>
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<div class="foldopen" id="foldopen00058" data-start="{" data-end="}">
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<div class="line"><a id="l00058" name="l00058"></a><span class="lineno"><a class="line" href="namespacegridfire_1_1reaclib.html#afc0deac6cbef076e8884e66fd3ab66e0"> 58</a></span> <span class="keyword">static</span> std::vector<fourdst::atomic::Species> <a class="code hl_function" href="namespacegridfire_1_1reaclib.html#afc0deac6cbef076e8884e66fd3ab66e0">parseSpeciesString</a>(<span class="keyword">const</span> std::string_view str) {</div>
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<div class="line"><a id="l00059" name="l00059"></a><span class="lineno"> 59</span> std::vector<fourdst::atomic::Species> result;</div>
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<div class="line"><a id="l00060" name="l00060"></a><span class="lineno"> 60</span> std::stringstream ss{std::string(str)};</div>
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<div class="line"><a id="l00061" name="l00061"></a><span class="lineno"> 61</span> std::string name;</div>
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<div class="line"><a id="l00062" name="l00062"></a><span class="lineno"> 62</span> </div>
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<div class="line"><a id="l00063" name="l00063"></a><span class="lineno"> 63</span> <span class="keywordflow">while</span> (ss >> name) {</div>
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<div class="line"><a id="l00064" name="l00064"></a><span class="lineno"> 64</span> <span class="comment">// Trim whitespace that might be left over from the fixed-width char arrays</span></div>
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<div class="line"><a id="l00065" name="l00065"></a><span class="lineno"> 65</span> <span class="keyword">const</span> <span class="keyword">auto</span> trimmed_name = <a class="code hl_function" href="namespacegridfire.html#a8b245f261cd8d1711ae8d593b054cf98">trim_whitespace</a>(name);</div>
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<div class="line"><a id="l00066" name="l00066"></a><span class="lineno"> 66</span> <span class="keywordflow">if</span> (trimmed_name.empty()) <span class="keywordflow">continue</span>;</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="line"><a id="l00068" name="l00068"></a><span class="lineno"> 68</span> <span class="keyword">auto</span> it = fourdst::atomic::species.find(trimmed_name);</div>
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<div class="line"><a id="l00069" name="l00069"></a><span class="lineno"> 69</span> <span class="keywordflow">if</span> (it != fourdst::atomic::species.end()) {</div>
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<div class="line"><a id="l00070" name="l00070"></a><span class="lineno"> 70</span> result.push_back(it->second);</div>
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<div class="line"><a id="l00071" name="l00071"></a><span class="lineno"> 71</span> } <span class="keywordflow">else</span> {</div>
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<div class="line"><a id="l00072" name="l00072"></a><span class="lineno"> 72</span> <span class="comment">// If a species is not found, it's a critical data error.</span></div>
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<div class="line"><a id="l00073" name="l00073"></a><span class="lineno"> 73</span> <span class="keywordflow">throw</span> std::runtime_error(<span class="stringliteral">"Unknown species in reaction data: "</span> + std::string(trimmed_name));</div>
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<div class="line"><a id="l00074" name="l00074"></a><span class="lineno"> 74</span> }</div>
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<div class="line"><a id="l00075" name="l00075"></a><span class="lineno"> 75</span> }</div>
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<div class="line"><a id="l00076" name="l00076"></a><span class="lineno"> 76</span> <span class="keywordflow">return</span> result;</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>
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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="foldopen" id="foldopen00079" data-start="{" data-end="}">
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<div class="line"><a id="l00079" name="l00079"></a><span class="lineno"><a class="line" href="namespacegridfire_1_1reaclib.html#a02ff11b88be94392151873e06a30b276"> 79</a></span> <span class="keyword">static</span> <span class="keywordtype">void</span> <a class="code hl_function" href="namespacegridfire_1_1reaclib.html#a02ff11b88be94392151873e06a30b276">initializeAllReaclibReactions</a>() {</div>
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<div class="line"><a id="l00080" name="l00080"></a><span class="lineno"> 80</span> <span class="keywordflow">if</span> (<a class="code hl_variable" href="namespacegridfire_1_1reaclib.html#af6ff0dfe7ffe34c73ba9acbab5ef8a66">s_initialized</a>) {</div>
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<div class="line"><a id="l00081" name="l00081"></a><span class="lineno"> 81</span> <span class="keywordflow">return</span>;</div>
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<div class="line"><a id="l00082" name="l00082"></a><span class="lineno"> 82</span> }</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> <span class="comment">// Cast the raw byte data to our structured record format.</span></div>
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<div class="line"><a id="l00085" name="l00085"></a><span class="lineno"> 85</span> <span class="keyword">const</span> <span class="keyword">auto</span>* records = <span class="keyword">reinterpret_cast<</span><span class="keyword">const </span><a class="code hl_struct" href="structgridfire_1_1reaclib_1_1_reaction_record.html">ReactionRecord</a>*<span class="keyword">></span>(<a class="code hl_variable" href="reactions__data_8h.html#aeb44e2b3b67960dfd83ecd7136c7d38b">raw_reactions_data</a>);</div>
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<div class="line"><a id="l00086" name="l00086"></a><span class="lineno"> 86</span> <span class="keyword">constexpr</span> <span class="keywordtype">size_t</span> num_reactions = <a class="code hl_variable" href="reactions__data_8h.html#a32dea82d95667c3df395d58fb469ce2a">raw_reactions_data_len</a> / <span class="keyword">sizeof</span>(<a class="code hl_struct" href="structgridfire_1_1reaclib_1_1_reaction_record.html">ReactionRecord</a>);</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> std::vector<reaction::Reaction> reaction_list;</div>
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<div class="line"><a id="l00089" name="l00089"></a><span class="lineno"> 89</span> reaction_list.reserve(num_reactions);</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="line"><a id="l00091" name="l00091"></a><span class="lineno"> 91</span> <span class="keywordflow">for</span> (<span class="keywordtype">size_t</span> i = 0; i < num_reactions; ++i) {</div>
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<div class="line"><a id="l00092" name="l00092"></a><span class="lineno"> 92</span> <span class="keyword">const</span> <span class="keyword">auto</span>&[chapter, qValue, coeffs, reverse, label, rpName, reactants_str, products_str] = records[i];</div>
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<div class="line"><a id="l00093" name="l00093"></a><span class="lineno"> 93</span> </div>
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<div class="line"><a id="l00094" name="l00094"></a><span class="lineno"> 94</span> <span class="comment">// The char arrays from the binary are not guaranteed to be null-terminated</span></div>
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<div class="line"><a id="l00095" name="l00095"></a><span class="lineno"> 95</span> <span class="comment">// if the string fills the entire buffer. We create null-terminated string_views.</span></div>
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<div class="line"><a id="l00096" name="l00096"></a><span class="lineno"> 96</span> <span class="keyword">const</span> std::string_view label_sv(label, strnlen(label, <span class="keyword">sizeof</span>(label)));</div>
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<div class="line"><a id="l00097" name="l00097"></a><span class="lineno"> 97</span> <span class="keyword">const</span> std::string_view rpName_sv(rpName, strnlen(rpName, <span class="keyword">sizeof</span>(rpName)));</div>
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<div class="line"><a id="l00098" name="l00098"></a><span class="lineno"> 98</span> <span class="keyword">const</span> std::string_view reactants_sv(reactants_str, strnlen(reactants_str, <span class="keyword">sizeof</span>(reactants_str)));</div>
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<div class="line"><a id="l00099" name="l00099"></a><span class="lineno"> 99</span> <span class="keyword">const</span> std::string_view products_sv(products_str, strnlen(products_str, <span class="keyword">sizeof</span>(products_str)));</div>
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<div class="line"><a id="l00100" name="l00100"></a><span class="lineno"> 100</span> </div>
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<div class="line"><a id="l00101" name="l00101"></a><span class="lineno"> 101</span> <span class="keyword">auto</span> reactants = <a class="code hl_function" href="namespacegridfire_1_1reaclib.html#afc0deac6cbef076e8884e66fd3ab66e0">parseSpeciesString</a>(reactants_sv);</div>
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<div class="line"><a id="l00102" name="l00102"></a><span class="lineno"> 102</span> <span class="keyword">auto</span> products = <a class="code hl_function" href="namespacegridfire_1_1reaclib.html#afc0deac6cbef076e8884e66fd3ab66e0">parseSpeciesString</a>(products_sv);</div>
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<div class="line"><a id="l00103" name="l00103"></a><span class="lineno"> 103</span> </div>
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<div class="line"><a id="l00104" name="l00104"></a><span class="lineno"> 104</span> <span class="keyword">const</span> <a class="code hl_struct" href="structgridfire_1_1reaction_1_1_rate_coefficient_set.html">reaction::RateCoefficientSet</a> rate_coeffs = {</div>
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|
<div class="line"><a id="l00105" name="l00105"></a><span class="lineno"> 105</span> coeffs[0], coeffs[1], coeffs[2],</div>
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<div class="line"><a id="l00106" name="l00106"></a><span class="lineno"> 106</span> coeffs[3], coeffs[4], coeffs[5],</div>
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|
<div class="line"><a id="l00107" name="l00107"></a><span class="lineno"> 107</span> coeffs[6]</div>
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|
<div class="line"><a id="l00108" name="l00108"></a><span class="lineno"> 108</span> };</div>
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<div class="line"><a id="l00109" name="l00109"></a><span class="lineno"> 109</span> </div>
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<div class="line"><a id="l00110" name="l00110"></a><span class="lineno"> 110</span> <span class="comment">// Construct the Reaction object. We use rpName for both the unique ID and the human-readable name.</span></div>
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<div class="line"><a id="l00111" name="l00111"></a><span class="lineno"> 111</span> reaction_list.emplace_back(</div>
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<div class="line"><a id="l00112" name="l00112"></a><span class="lineno"> 112</span> rpName_sv,</div>
|
|
<div class="line"><a id="l00113" name="l00113"></a><span class="lineno"> 113</span> rpName_sv,</div>
|
|
<div class="line"><a id="l00114" name="l00114"></a><span class="lineno"> 114</span> chapter,</div>
|
|
<div class="line"><a id="l00115" name="l00115"></a><span class="lineno"> 115</span> reactants,</div>
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<div class="line"><a id="l00116" name="l00116"></a><span class="lineno"> 116</span> products,</div>
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|
<div class="line"><a id="l00117" name="l00117"></a><span class="lineno"> 117</span> qValue,</div>
|
|
<div class="line"><a id="l00118" name="l00118"></a><span class="lineno"> 118</span> label_sv,</div>
|
|
<div class="line"><a id="l00119" name="l00119"></a><span class="lineno"> 119</span> rate_coeffs,</div>
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|
<div class="line"><a id="l00120" name="l00120"></a><span class="lineno"> 120</span> reverse</div>
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|
<div class="line"><a id="l00121" name="l00121"></a><span class="lineno"> 121</span> );</div>
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|
<div class="line"><a id="l00122" name="l00122"></a><span class="lineno"> 122</span> }</div>
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<div class="line"><a id="l00123" name="l00123"></a><span class="lineno"> 123</span> </div>
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<div class="line"><a id="l00124" name="l00124"></a><span class="lineno"> 124</span> <span class="comment">// The ReactionSet takes the vector of all individual reactions.</span></div>
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|
<div class="line"><a id="l00125" name="l00125"></a><span class="lineno"> 125</span> <span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#ad838ce3fb6cc02c3fd90b924a0dd91b1">reaction::ReactionSet</a> reaction_set(std::move(reaction_list));</div>
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<div class="line"><a id="l00126" name="l00126"></a><span class="lineno"> 126</span> </div>
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<div class="line"><a id="l00127" name="l00127"></a><span class="lineno"> 127</span> <span class="comment">// The LogicalReactionSet groups reactions by their peName, which is what we want.</span></div>
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<div class="line"><a id="l00128" name="l00128"></a><span class="lineno"> 128</span> <a class="code hl_variable" href="namespacegridfire_1_1reaclib.html#a5dba5efc372d2a9e9e846dfd6563f3c0">s_all_reaclib_reactions_ptr</a> = <span class="keyword">new</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">reaction::LogicalReactionSet</a>(</div>
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<div class="line"><a id="l00129" name="l00129"></a><span class="lineno"> 129</span> <a class="code hl_function" href="namespacegridfire_1_1reaction.html#abfcfafc0cda0c3ed56930a12e7ead67f">reaction::packReactionSetToLogicalReactionSet</a>(reaction_set)</div>
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<div class="line"><a id="l00130" name="l00130"></a><span class="lineno"> 130</span> );</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 class="line"><a id="l00132" name="l00132"></a><span class="lineno"> 132</span> <a class="code hl_variable" href="namespacegridfire_1_1reaclib.html#af6ff0dfe7ffe34c73ba9acbab5ef8a66">s_initialized</a> = <span class="keyword">true</span>;</div>
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<div class="line"><a id="l00133" name="l00133"></a><span class="lineno"> 133</span> }</div>
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</div>
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<div class="line"><a id="l00134" name="l00134"></a><span class="lineno"> 134</span> </div>
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<div class="line"><a id="l00135" name="l00135"></a><span class="lineno"> 135</span> </div>
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<div class="line"><a id="l00136" name="l00136"></a><span class="lineno"> 136</span> <span class="comment">// --- Public Interface Implementation ---</span></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="foldopen" id="foldopen00138" data-start="{" data-end="}">
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<div class="line"><a id="l00138" name="l00138"></a><span class="lineno"><a class="line" href="namespacegridfire_1_1reaclib.html#a91c7971c9d0a2971b9a6fa4d841c761d"> 138</a></span> <span class="keyword">const</span> <a class="code hl_typedef" href="namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31">reaction::LogicalReactionSet</a>& <a class="code hl_function" href="namespacegridfire_1_1reaclib.html#a91c7971c9d0a2971b9a6fa4d841c761d">get_all_reactions</a>() {</div>
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<div class="line"><a id="l00139" name="l00139"></a><span class="lineno"> 139</span> <span class="comment">// This ensures that the initialization happens only on the first call.</span></div>
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<div class="line"><a id="l00140" name="l00140"></a><span class="lineno"> 140</span> <span class="keywordflow">if</span> (!<a class="code hl_variable" href="namespacegridfire_1_1reaclib.html#af6ff0dfe7ffe34c73ba9acbab5ef8a66">s_initialized</a>) {</div>
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<div class="line"><a id="l00141" name="l00141"></a><span class="lineno"> 141</span> <a class="code hl_function" href="namespacegridfire_1_1reaclib.html#a02ff11b88be94392151873e06a30b276">initializeAllReaclibReactions</a>();</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 class="line"><a id="l00143" name="l00143"></a><span class="lineno"> 143</span> <span class="keywordflow">if</span> (<a class="code hl_variable" href="namespacegridfire_1_1reaclib.html#a5dba5efc372d2a9e9e846dfd6563f3c0">s_all_reaclib_reactions_ptr</a> == <span class="keyword">nullptr</span>) {</div>
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<div class="line"><a id="l00144" name="l00144"></a><span class="lineno"> 144</span> <span class="keywordflow">throw</span> std::runtime_error(<span class="stringliteral">"Reaclib reactions have not been initialized."</span>);</div>
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<div class="line"><a id="l00145" name="l00145"></a><span class="lineno"> 145</span> }</div>
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<div class="line"><a id="l00146" name="l00146"></a><span class="lineno"> 146</span> <span class="keywordflow">return</span> *<a class="code hl_variable" href="namespacegridfire_1_1reaclib.html#a5dba5efc372d2a9e9e846dfd6563f3c0">s_all_reaclib_reactions_ptr</a>;</div>
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<div class="line"><a id="l00147" name="l00147"></a><span class="lineno"> 147</span> }</div>
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</div>
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<div class="line"><a id="l00148" name="l00148"></a><span class="lineno"> 148</span>} <span class="comment">// namespace gridfire::reaclib</span></div>
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<div class="ttc" id="anamespacegridfire_1_1reaclib_html"><div class="ttname"><a href="namespacegridfire_1_1reaclib.html">gridfire::reaclib</a></div><div class="ttdef"><b>Definition</b> <a href="reaclib_8h_source.html#l00005">reaclib.h:5</a></div></div>
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<div class="ttc" id="anamespacegridfire_1_1reaclib_html_a02ff11b88be94392151873e06a30b276"><div class="ttname"><a href="namespacegridfire_1_1reaclib.html#a02ff11b88be94392151873e06a30b276">gridfire::reaclib::initializeAllReaclibReactions</a></div><div class="ttdeci">static void initializeAllReaclibReactions()</div><div class="ttdef"><b>Definition</b> <a href="#l00079">reaclib.cpp:79</a></div></div>
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<div class="ttc" id="anamespacegridfire_1_1reaclib_html_a5dba5efc372d2a9e9e846dfd6563f3c0"><div class="ttname"><a href="namespacegridfire_1_1reaclib.html#a5dba5efc372d2a9e9e846dfd6563f3c0">gridfire::reaclib::s_all_reaclib_reactions_ptr</a></div><div class="ttdeci">static reaction::LogicalReactionSet * s_all_reaclib_reactions_ptr</div><div class="ttdef"><b>Definition</b> <a href="#l00029">reaclib.cpp:29</a></div></div>
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<div class="ttc" id="anamespacegridfire_1_1reaclib_html_a6bb94d5adc7bb9db5a67f770f7453e63"><div class="ttname"><a href="namespacegridfire_1_1reaclib.html#a6bb94d5adc7bb9db5a67f770f7453e63">gridfire::reaclib::operator<<</a></div><div class="ttdeci">std::ostream & operator<<(std::ostream &os, const ReactionRecord &r)</div><div class="ttdef"><b>Definition</b> <a href="#l00044">reaclib.cpp:44</a></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="#l00138">reaclib.cpp:138</a></div></div>
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<div class="ttc" id="anamespacegridfire_1_1reaclib_html_af6ff0dfe7ffe34c73ba9acbab5ef8a66"><div class="ttname"><a href="namespacegridfire_1_1reaclib.html#af6ff0dfe7ffe34c73ba9acbab5ef8a66">gridfire::reaclib::s_initialized</a></div><div class="ttdeci">static bool s_initialized</div><div class="ttdef"><b>Definition</b> <a href="reaclib_8h_source.html#l00007">reaclib.h:7</a></div></div>
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<div class="ttc" id="anamespacegridfire_1_1reaclib_html_afc0deac6cbef076e8884e66fd3ab66e0"><div class="ttname"><a href="namespacegridfire_1_1reaclib.html#afc0deac6cbef076e8884e66fd3ab66e0">gridfire::reaclib::parseSpeciesString</a></div><div class="ttdeci">static std::vector< fourdst::atomic::Species > parseSpeciesString(const std::string_view str)</div><div class="ttdef"><b>Definition</b> <a href="#l00058">reaclib.cpp:58</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="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_a8b245f261cd8d1711ae8d593b054cf98"><div class="ttname"><a href="namespacegridfire.html#a8b245f261cd8d1711ae8d593b054cf98">gridfire::trim_whitespace</a></div><div class="ttdeci">std::string trim_whitespace(const std::string &str)</div><div class="ttdef"><b>Definition</b> <a href="network_8cpp_source.html#l00065">network.cpp:65</a></div></div>
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<div class="ttc" id="anetwork_8h_html"><div class="ttname"><a href="network_8h.html">network.h</a></div></div>
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<div class="ttc" id="areaclib_8cpp_html_a2c6902cf3e699a1a65e871efa878a6ab"><div class="ttname"><a href="reaclib_8cpp.html#a2c6902cf3e699a1a65e871efa878a6ab">trim_whitespace</a></div><div class="ttdeci">std::string trim_whitespace(const std::string &str)</div><div class="ttdef"><b>Definition</b> <a href="#l00013">reaclib.cpp:13</a></div></div>
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<div class="ttc" id="areactions__data_8h_html_a32dea82d95667c3df395d58fb469ce2a"><div class="ttname"><a href="reactions__data_8h.html#a32dea82d95667c3df395d58fb469ce2a">raw_reactions_data_len</a></div><div class="ttdeci">const size_t raw_reactions_data_len</div><div class="ttdef"><b>Definition</b> <a href="reactions__data_8h_source.html#l181934">reactions_data.h:181934</a></div></div>
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<div class="ttc" id="areactions__data_8h_html_aeb44e2b3b67960dfd83ecd7136c7d38b"><div class="ttname"><a href="reactions__data_8h.html#aeb44e2b3b67960dfd83ecd7136c7d38b">raw_reactions_data</a></div><div class="ttdeci">const unsigned char raw_reactions_data[]</div><div class="ttdef"><b>Definition</b> <a href="reactions__data_8h_source.html#l00005">reactions_data.h:5</a></div></div>
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<div class="ttc" id="astructgridfire_1_1reaclib_1_1_reaction_record_html"><div class="ttname"><a href="structgridfire_1_1reaclib_1_1_reaction_record.html">gridfire::reaclib::ReactionRecord</a></div><div class="ttdef"><b>Definition</b> <a href="#l00032">reaclib.cpp:32</a></div></div>
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<div class="ttc" id="astructgridfire_1_1reaclib_1_1_reaction_record_html_a2165deb1c0a54a5086b496cf34604fa5"><div class="ttname"><a href="structgridfire_1_1reaclib_1_1_reaction_record.html#a2165deb1c0a54a5086b496cf34604fa5">gridfire::reaclib::ReactionRecord::label</a></div><div class="ttdeci">char label[8]</div><div class="ttdef"><b>Definition</b> <a href="#l00037">reaclib.cpp:37</a></div></div>
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<div class="ttc" id="astructgridfire_1_1reaclib_1_1_reaction_record_html_a523b7cfb0a6d8ddccd785aef2f425ad1"><div class="ttname"><a href="structgridfire_1_1reaclib_1_1_reaction_record.html#a523b7cfb0a6d8ddccd785aef2f425ad1">gridfire::reaclib::ReactionRecord::rpName</a></div><div class="ttdeci">char rpName[64]</div><div class="ttdef"><b>Definition</b> <a href="#l00038">reaclib.cpp:38</a></div></div>
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<div class="ttc" id="astructgridfire_1_1reaclib_1_1_reaction_record_html_a5c853b69a23b0a8c39ab4b55ac3fe3cc"><div class="ttname"><a href="structgridfire_1_1reaclib_1_1_reaction_record.html#a5c853b69a23b0a8c39ab4b55ac3fe3cc">gridfire::reaclib::ReactionRecord::chapter</a></div><div class="ttdeci">int32_t chapter</div><div class="ttdef"><b>Definition</b> <a href="#l00033">reaclib.cpp:33</a></div></div>
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<div class="ttc" id="astructgridfire_1_1reaclib_1_1_reaction_record_html_a67afc513db8dbcc43d79733e22ca8d39"><div class="ttname"><a href="structgridfire_1_1reaclib_1_1_reaction_record.html#a67afc513db8dbcc43d79733e22ca8d39">gridfire::reaclib::ReactionRecord::reactants_str</a></div><div class="ttdeci">char reactants_str[128]</div><div class="ttdef"><b>Definition</b> <a href="#l00039">reaclib.cpp:39</a></div></div>
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<div class="ttc" id="astructgridfire_1_1reaclib_1_1_reaction_record_html_a80803f612e574859fde0a163bca84bc0"><div class="ttname"><a href="structgridfire_1_1reaclib_1_1_reaction_record.html#a80803f612e574859fde0a163bca84bc0">gridfire::reaclib::ReactionRecord::coeffs</a></div><div class="ttdeci">double coeffs[7]</div><div class="ttdef"><b>Definition</b> <a href="#l00035">reaclib.cpp:35</a></div></div>
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<div class="ttc" id="astructgridfire_1_1reaclib_1_1_reaction_record_html_aa1fd4f510d7c00d2e4197e9b9caf29fd"><div class="ttname"><a href="structgridfire_1_1reaclib_1_1_reaction_record.html#aa1fd4f510d7c00d2e4197e9b9caf29fd">gridfire::reaclib::ReactionRecord::reverse</a></div><div class="ttdeci">bool reverse</div><div class="ttdef"><b>Definition</b> <a href="#l00036">reaclib.cpp:36</a></div></div>
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<div class="ttc" id="astructgridfire_1_1reaclib_1_1_reaction_record_html_aeeb8a1e078a27420e398663825cce644"><div class="ttname"><a href="structgridfire_1_1reaclib_1_1_reaction_record.html#aeeb8a1e078a27420e398663825cce644">gridfire::reaclib::ReactionRecord::qValue</a></div><div class="ttdeci">double qValue</div><div class="ttdef"><b>Definition</b> <a href="#l00034">reaclib.cpp:34</a></div></div>
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<div class="ttc" id="astructgridfire_1_1reaclib_1_1_reaction_record_html_af1b1d3b0308d965ef0697b247fcf9082"><div class="ttname"><a href="structgridfire_1_1reaclib_1_1_reaction_record.html#af1b1d3b0308d965ef0697b247fcf9082">gridfire::reaclib::ReactionRecord::products_str</a></div><div class="ttdeci">char products_str[128]</div><div class="ttdef"><b>Definition</b> <a href="#l00040">reaclib.cpp:40</a></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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