464 lines
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464 lines
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<div id="projectname">fourdst::libcomposition<span id="projectnumber"> v2.4.9</span>
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<div id="projectbrief">Robust atomic species information library</div>
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<div class="headertitle"><div class="title">composition.h</div></div>
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<a href="composition_8h.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="comment">/* ***********************************************************************</span></div>
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<div class="line"><a id="l00002" name="l00002"></a><span class="lineno"> 2</span><span class="comment">//</span></div>
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<div class="line"><a id="l00003" name="l00003"></a><span class="lineno"> 3</span><span class="comment">// Copyright (C) 2025 -- The 4D-STAR Collaboration</span></div>
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<div class="line"><a id="l00004" name="l00004"></a><span class="lineno"> 4</span><span class="comment">// File Author: Emily Boudreaux</span></div>
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<div class="line"><a id="l00005" name="l00005"></a><span class="lineno"> 5</span><span class="comment">// Last Modified: March 26, 2025</span></div>
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<div class="line"><a id="l00006" name="l00006"></a><span class="lineno"> 6</span><span class="comment">//</span></div>
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<div class="line"><a id="l00007" name="l00007"></a><span class="lineno"> 7</span><span class="comment">// 4DSSE is free software; you can use it and/or modify</span></div>
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<div class="line"><a id="l00008" name="l00008"></a><span class="lineno"> 8</span><span class="comment">// it under the terms and restrictions the GNU General Library Public</span></div>
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<div class="line"><a id="l00009" name="l00009"></a><span class="lineno"> 9</span><span class="comment">// License version 3 (GPLv3) as published by the Free Software Foundation.</span></div>
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<div class="line"><a id="l00010" name="l00010"></a><span class="lineno"> 10</span><span class="comment">//</span></div>
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<div class="line"><a id="l00011" name="l00011"></a><span class="lineno"> 11</span><span class="comment">// 4DSSE is distributed in the hope that it will be useful,</span></div>
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<div class="line"><a id="l00012" name="l00012"></a><span class="lineno"> 12</span><span class="comment">// but WITHOUT ANY WARRANTY; without even the implied warranty of</span></div>
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<div class="line"><a id="l00013" name="l00013"></a><span class="lineno"> 13</span><span class="comment">// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.</span></div>
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<div class="line"><a id="l00014" name="l00014"></a><span class="lineno"> 14</span><span class="comment">// See the GNU Library General Public License for more details.</span></div>
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<div class="line"><a id="l00015" name="l00015"></a><span class="lineno"> 15</span><span class="comment">//</span></div>
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<div class="line"><a id="l00016" name="l00016"></a><span class="lineno"> 16</span><span class="comment">// You should have received a copy of the GNU Library General Public License</span></div>
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<div class="line"><a id="l00017" name="l00017"></a><span class="lineno"> 17</span><span class="comment">// along with this software; if not, write to the Free Software</span></div>
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<div class="line"><a id="l00018" name="l00018"></a><span class="lineno"> 18</span><span class="comment">// Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA</span></div>
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<div class="line"><a id="l00019" name="l00019"></a><span class="lineno"> 19</span><span class="comment">//</span></div>
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<div class="line"><a id="l00020" name="l00020"></a><span class="lineno"> 20</span><span class="comment">// *********************************************************************** */</span></div>
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<div class="line"><a id="l00021" name="l00021"></a><span class="lineno"> 21</span><span class="preprocessor">#pragma once</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="preprocessor">#include <string></span></div>
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<div class="line"><a id="l00024" name="l00024"></a><span class="lineno"> 24</span><span class="preprocessor">#include <unordered_map></span></div>
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<div class="line"><a id="l00025" name="l00025"></a><span class="lineno"> 25</span><span class="preprocessor">#include <set></span></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 class="line"><a id="l00027" name="l00027"></a><span class="lineno"> 27</span><span class="preprocessor">#include <optional></span></div>
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<div class="line"><a id="l00028" name="l00028"></a><span class="lineno"> 28</span><span class="preprocessor">#include <unordered_set></span></div>
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<div class="line"><a id="l00029" name="l00029"></a><span class="lineno"> 29</span><span class="preprocessor">#include <expected></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">#include "fourdst/config/config.h"</span></div>
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<div class="line"><a id="l00032" name="l00032"></a><span class="lineno"> 32</span><span class="preprocessor">#include "fourdst/logging/logging.h"</span></div>
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<div class="line"><a id="l00033" name="l00033"></a><span class="lineno"> 33</span><span class="preprocessor">#include "<a class="code" href="composition__abstract_8h.html">fourdst/composition/composition_abstract.h</a>"</span></div>
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<div class="line"><a id="l00034" name="l00034"></a><span class="lineno"> 34</span><span class="preprocessor">#include "<a class="code" href="atomic_species_8h.html">fourdst/atomic/atomicSpecies.h</a>"</span></div>
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<div class="line"><a id="l00035" name="l00035"></a><span class="lineno"> 35</span> </div>
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<div class="line"><a id="l00036" name="l00036"></a><span class="lineno"> 36</span><span class="keyword">namespace </span><a class="code hl_namespace" href="namespacefourdst_1_1composition.html">fourdst::composition</a> {</div>
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<div class="foldopen" id="foldopen00046" data-start="{" data-end="};">
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<div class="line"><a id="l00046" name="l00046"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_canonical_composition.html"> 46</a></span> <span class="keyword">struct </span><a class="code hl_struct" href="structfourdst_1_1composition_1_1_canonical_composition.html">CanonicalComposition</a> {</div>
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<div class="line"><a id="l00047" name="l00047"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_canonical_composition.html#abe5b01574242f8eaabd00c3d653291f7"> 47</a></span> <span class="keywordtype">double</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_canonical_composition.html#abe5b01574242f8eaabd00c3d653291f7">X</a> = 0.0; </div>
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<div class="line"><a id="l00048" name="l00048"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_canonical_composition.html#a93927bfccc5d2b3906565d092ed4f7f4"> 48</a></span> <span class="keywordtype">double</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_canonical_composition.html#a93927bfccc5d2b3906565d092ed4f7f4">Y</a> = 0.0; </div>
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<div class="line"><a id="l00049" name="l00049"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_canonical_composition.html#ae1981f5ddd36abd17a4a69fa1f43de18"> 49</a></span> <span class="keywordtype">double</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_canonical_composition.html#ae1981f5ddd36abd17a4a69fa1f43de18">Z</a> = 0.0; </div>
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<div class="line"><a id="l00050" name="l00050"></a><span class="lineno"> 50</span></div>
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<div class="foldopen" id="foldopen00057" data-start="{" data-end="}">
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<div class="line"><a id="l00057" name="l00057"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_canonical_composition.html#a6e447cb601af6bcbd09e290aef759672"> 57</a></span> <span class="keyword">friend</span> std::ostream& <a class="code hl_friend" href="structfourdst_1_1composition_1_1_canonical_composition.html#a6e447cb601af6bcbd09e290aef759672">operator<<</a>(std::ostream& os, <span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1composition_1_1_canonical_composition.html">CanonicalComposition</a>& <a class="code hl_namespace" href="namespacefourdst_1_1composition.html">composition</a>) {</div>
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<div class="line"><a id="l00058" name="l00058"></a><span class="lineno"> 58</span> os << <span class="stringliteral">"<CanonicalComposition: "</span></div>
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<div class="line"><a id="l00059" name="l00059"></a><span class="lineno"> 59</span> << <span class="stringliteral">"X = "</span> << <a class="code hl_namespace" href="namespacefourdst_1_1composition.html">composition</a>.X << <span class="stringliteral">", "</span></div>
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<div class="line"><a id="l00060" name="l00060"></a><span class="lineno"> 60</span> << <span class="stringliteral">"Y = "</span> << <a class="code hl_namespace" href="namespacefourdst_1_1composition.html">composition</a>.Y << <span class="stringliteral">", "</span></div>
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<div class="line"><a id="l00061" name="l00061"></a><span class="lineno"> 61</span> << <span class="stringliteral">"Z = "</span> << <a class="code hl_namespace" href="namespacefourdst_1_1composition.html">composition</a>.Z << <span class="stringliteral">">"</span>;</div>
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<div class="line"><a id="l00062" name="l00062"></a><span class="lineno"> 62</span> <span class="keywordflow">return</span> os;</div>
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<div class="line"><a id="l00063" name="l00063"></a><span class="lineno"> 63</span> }</div>
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</div>
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<div class="line"><a id="l00064" name="l00064"></a><span class="lineno"> 64</span> };</div>
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</div>
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<div class="line"><a id="l00065" name="l00065"></a><span class="lineno"> 65</span></div>
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<div class="line"><a id="l00098" name="l00098"></a><span class="lineno"> 98</span> <span class="comment">// ReSharper disable once CppClassCanBeFinal</span></div>
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<div class="foldopen" id="foldopen00099" data-start="{" data-end="};">
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<div class="line"><a id="l00099" name="l00099"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html"> 99</a></span> <span class="keyword">class </span><a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a> final : <span class="keyword">public</span> <a class="code hl_class" href="classfourdst_1_1composition_1_1_composition_abstract.html">CompositionAbstract</a> {</div>
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<div class="line"><a id="l00100" name="l00100"></a><span class="lineno"> 100</span> <span class="keyword">public</span>:</div>
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<div class="line"><a id="l00101" name="l00101"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#a7eace279c95ac7cccb05434320203343"> 101</a></span> <span class="keyword">using </span><a class="code hl_typedef" href="classfourdst_1_1composition_1_1_composition.html#a7eace279c95ac7cccb05434320203343">iterator</a> = <a class="code hl_class" href="classfourdst_1_1composition_1_1detail_1_1_composition_iterator.html">detail::CompositionIterator<false></a>;</div>
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<div class="line"><a id="l00102" name="l00102"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#a38bbc17eb83b6155163382b27b3818e6"> 102</a></span> <span class="keyword">using </span><a class="code hl_typedef" href="classfourdst_1_1composition_1_1_composition.html#a38bbc17eb83b6155163382b27b3818e6">const_iterator</a> = <a class="code hl_class" href="classfourdst_1_1composition_1_1detail_1_1_composition_iterator.html">detail::CompositionIterator<true></a>;</div>
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<div class="line"><a id="l00103" name="l00103"></a><span class="lineno"> 103</span> <span class="keyword">private</span>:</div>
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<div class="foldopen" id="foldopen00111" data-start="{" data-end="};">
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<div class="line"><a id="l00111" name="l00111"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html"> 111</a></span> <span class="keyword">struct </span><a class="code hl_struct" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html">CompositionCache</a> {</div>
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<div class="line"><a id="l00112" name="l00112"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a459e01b94eb0e78dd95bb6932a967f13"> 112</a></span> std::optional<CanonicalComposition> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a459e01b94eb0e78dd95bb6932a967f13">canonicalComp</a>; </div>
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<div class="line"><a id="l00113" name="l00113"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#add5ce97ae6a1796c5f6488bfa1555be6"> 113</a></span> std::optional<std::vector<double>> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#add5ce97ae6a1796c5f6488bfa1555be6">massFractions</a>; </div>
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<div class="line"><a id="l00114" name="l00114"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a41ce9d6b4a0f00030e3027b23c0269fb"> 114</a></span> std::optional<std::vector<double>> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a41ce9d6b4a0f00030e3027b23c0269fb">numberFractions</a>; </div>
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<div class="line"><a id="l00115" name="l00115"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#ab74c9cd92ba8aaf5f95c8ca5284206a6"> 115</a></span> std::optional<std::vector<double>> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#ab74c9cd92ba8aaf5f95c8ca5284206a6">molarAbundances</a>; </div>
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<div class="line"><a id="l00116" name="l00116"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a14761ff2df5423884330e423ec38e98c"> 116</a></span> std::optional<std::vector<atomic::Species>> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a14761ff2df5423884330e423ec38e98c">sortedSpecies</a>; </div>
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<div class="line"><a id="l00117" name="l00117"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#abe45010a5104562d3ebecc77393c04ce"> 117</a></span> std::optional<std::vector<std::string>> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#abe45010a5104562d3ebecc77393c04ce">sortedSymbols</a>; </div>
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<div class="line"><a id="l00118" name="l00118"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#ae844e5a1d2b85c7cfee50157ccf189ce"> 118</a></span> std::optional<double> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#ae844e5a1d2b85c7cfee50157ccf189ce">Ye</a>; </div>
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<div class="line"><a id="l00119" name="l00119"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a8580c92659fff18f7453496939ecd427"> 119</a></span> std::optional<std::size_t> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a8580c92659fff18f7453496939ecd427">hash</a>;</div>
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<div class="line"><a id="l00120" name="l00120"></a><span class="lineno"> 120</span></div>
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<div class="foldopen" id="foldopen00124" data-start="{" data-end="}">
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<div class="line"><a id="l00124" name="l00124"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#ac8b576c3b48c4cedda6e9e2790072b0d"> 124</a></span> <span class="keywordtype">void</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#ac8b576c3b48c4cedda6e9e2790072b0d">clear</a>() {</div>
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<div class="line"><a id="l00125" name="l00125"></a><span class="lineno"> 125</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a459e01b94eb0e78dd95bb6932a967f13">canonicalComp</a> = std::nullopt;</div>
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<div class="line"><a id="l00126" name="l00126"></a><span class="lineno"> 126</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#add5ce97ae6a1796c5f6488bfa1555be6">massFractions</a> = std::nullopt;</div>
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<div class="line"><a id="l00127" name="l00127"></a><span class="lineno"> 127</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a41ce9d6b4a0f00030e3027b23c0269fb">numberFractions</a> = std::nullopt;</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="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#ab74c9cd92ba8aaf5f95c8ca5284206a6">molarAbundances</a> = std::nullopt;</div>
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<div class="line"><a id="l00129" name="l00129"></a><span class="lineno"> 129</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#abe45010a5104562d3ebecc77393c04ce">sortedSymbols</a> = std::nullopt;</div>
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<div class="line"><a id="l00130" name="l00130"></a><span class="lineno"> 130</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a14761ff2df5423884330e423ec38e98c">sortedSpecies</a> = std::nullopt;</div>
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<div class="line"><a id="l00131" name="l00131"></a><span class="lineno"> 131</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#ae844e5a1d2b85c7cfee50157ccf189ce">Ye</a> = std::nullopt;</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="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a8580c92659fff18f7453496939ecd427">hash</a> = std::nullopt;</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="foldopen" id="foldopen00139" data-start="{" data-end="}">
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<div class="line"><a id="l00139" name="l00139"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#af291583560120bb53c4546a598666477"> 139</a></span> [[nodiscard]] <span class="keywordtype">bool</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#af291583560120bb53c4546a598666477">is_clear</a>()<span class="keyword"> const </span>{</div>
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<div class="line"><a id="l00140" name="l00140"></a><span class="lineno"> 140</span> <span class="keywordflow">return</span> !<a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a459e01b94eb0e78dd95bb6932a967f13">canonicalComp</a>.has_value() && !<a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#add5ce97ae6a1796c5f6488bfa1555be6">massFractions</a>.has_value() &&</div>
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<div class="line"><a id="l00141" name="l00141"></a><span class="lineno"> 141</span> !<a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a41ce9d6b4a0f00030e3027b23c0269fb">numberFractions</a>.has_value() && !<a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#ab74c9cd92ba8aaf5f95c8ca5284206a6">molarAbundances</a>.has_value() && !<a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#abe45010a5104562d3ebecc77393c04ce">sortedSymbols</a>.has_value() &&</div>
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<div class="line"><a id="l00142" name="l00142"></a><span class="lineno"> 142</span> !<a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#ae844e5a1d2b85c7cfee50157ccf189ce">Ye</a>.has_value() && !<a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a14761ff2df5423884330e423ec38e98c">sortedSpecies</a>.has_value() && !<a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a8580c92659fff18f7453496939ecd427">hash</a>.has_value();</div>
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<div class="line"><a id="l00143" name="l00143"></a><span class="lineno"> 143</span> }</div>
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</div>
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<div class="line"><a id="l00144" name="l00144"></a><span class="lineno"> 144</span> };</div>
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</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="foldopen" id="foldopen00146" data-start="{" data-end="};">
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<div class="line"><a id="l00146" name="l00146"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#aeef903d5b7d02467c6462d183ac47db8"> 146</a></span> <span class="keyword">enum class</span> <a class="code hl_enumeration" href="classfourdst_1_1composition_1_1_composition.html#aeef903d5b7d02467c6462d183ac47db8">SpeciesIndexLookupError</a> : uint8_t {</div>
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<div class="line"><a id="l00147" name="l00147"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#aeef903d5b7d02467c6462d183ac47db8ac7cc0e85688b85571f30fd16a46d9891"> 147</a></span> <a class="code hl_enumvalue" href="classfourdst_1_1composition_1_1_composition.html#aeef903d5b7d02467c6462d183ac47db8ac7cc0e85688b85571f30fd16a46d9891">NO_REGISTERED_SPECIES</a>,</div>
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<div class="line"><a id="l00148" name="l00148"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#aeef903d5b7d02467c6462d183ac47db8a3659baf2b06bba6c02bad8316d517761"> 148</a></span> <a class="code hl_enumvalue" href="classfourdst_1_1composition_1_1_composition.html#aeef903d5b7d02467c6462d183ac47db8a3659baf2b06bba6c02bad8316d517761">SPECIES_NOT_FOUND</a></div>
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<div class="line"><a id="l00149" name="l00149"></a><span class="lineno"> 149</span> };</div>
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</div>
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<div class="line"><a id="l00150" name="l00150"></a><span class="lineno"> 150</span> <span class="keyword">private</span>:</div>
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<div class="foldopen" id="foldopen00156" data-start="{" data-end="}">
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<div class="line"><a id="l00156" name="l00156"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e"> 156</a></span> <span class="keyword">static</span> quill::Logger* <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e">getLogger</a>() {</div>
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<div class="line"><a id="l00157" name="l00157"></a><span class="lineno"> 157</span> <span class="keyword">static</span> quill::Logger* logger = logging::LogManager::getInstance().getLogger(<span class="stringliteral">"log"</span>);</div>
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<div class="line"><a id="l00158" name="l00158"></a><span class="lineno"> 158</span> <span class="keywordflow">return</span> logger;</div>
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<div class="line"><a id="l00159" name="l00159"></a><span class="lineno"> 159</span> }</div>
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</div>
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<div class="line"><a id="l00160" name="l00160"></a><span class="lineno"> 160</span> </div>
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<div class="line"><a id="l00161" name="l00161"></a><span class="lineno"> 161</span> <span class="comment">// std::set<atomic::Species> m_registeredSpecies; ///< Set of registered species in the composition.</span></div>
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<div class="line"><a id="l00162" name="l00162"></a><span class="lineno"> 162</span> <span class="comment">// std::map<atomic::Species, double> m_molarAbundances; ///< Map of species to their molar abundances.</span></div>
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<div class="line"><a id="l00163" name="l00163"></a><span class="lineno"> 163</span> </div>
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<div class="line"><a id="l00164" name="l00164"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#aa0edc4976ccd24f2d9f6ad730f058b27"> 164</a></span> std::vector<atomic::Species> <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#aa0edc4976ccd24f2d9f6ad730f058b27">m_species</a>;</div>
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<div class="line"><a id="l00165" name="l00165"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#ab2faabe2e64c587bda8106687f752479"> 165</a></span> std::vector<double> <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#ab2faabe2e64c587bda8106687f752479">m_molarAbundances</a>;</div>
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<div class="line"><a id="l00166" name="l00166"></a><span class="lineno"> 166</span> </div>
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<div class="line"><a id="l00167" name="l00167"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#a02cd9d9608da082a200fdfa86d14bf5d"> 167</a></span> <span class="keyword">mutable</span> <a class="code hl_struct" href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html">CompositionCache</a> <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#a02cd9d9608da082a200fdfa86d14bf5d">m_cache</a>; </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> <span class="keyword">private</span>:</div>
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<div class="line"><a id="l00170" name="l00170"></a><span class="lineno"> 170</span> [[nodiscard]] std::expected<std::ptrdiff_t, SpeciesIndexLookupError> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#aded88f0ad4a97eaae1e356fa8428cab5">findSpeciesIndex</a>(<span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">atomic::Species</a> &species) <span class="keyword">const</span> <span class="keyword">noexcept</span>;</div>
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<div class="line"><a id="l00171" name="l00171"></a><span class="lineno"> 171</span> [[nodiscard]] <span class="keyword">static</span> std::vector<atomic::Species> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a3f013e33b8978baf81447e5bd177f38b">symbolVectorToSpeciesVector</a>(<span class="keyword">const</span> std::vector<std::string>& symbols);</div>
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<div class="line"><a id="l00172" name="l00172"></a><span class="lineno"> 172</span> </div>
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<div class="line"><a id="l00173" name="l00173"></a><span class="lineno"> 173</span> <span class="keyword">public</span>:</div>
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<div class="line"><a id="l00179" name="l00179"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88"> 179</a></span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>() = <span class="keywordflow">default</span>;</div>
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<div class="line"><a id="l00180" name="l00180"></a><span class="lineno"> 180</span></div>
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<div class="line"><a id="l00184" name="l00184"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#a08c1d1fe9384c5255a6ba40e34b18315"> 184</a></span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a08c1d1fe9384c5255a6ba40e34b18315">~Composition</a>() <span class="keyword">override</span> = <span class="keywordflow">default</span>;</div>
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<div class="line"><a id="l00185" name="l00185"></a><span class="lineno"> 185</span></div>
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<div class="line"><a id="l00196" name="l00196"></a><span class="lineno"> 196</span> <span class="keyword">explicit</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::vector<std::string>& symbols);</div>
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<div class="line"><a id="l00197" name="l00197"></a><span class="lineno"> 197</span></div>
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<div class="line"><a id="l00211" name="l00211"></a><span class="lineno"> 211</span> <span class="keyword">explicit</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::vector<atomic::Species>& species);</div>
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<div class="line"><a id="l00212" name="l00212"></a><span class="lineno"> 212</span></div>
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<div class="line"><a id="l00223" name="l00223"></a><span class="lineno"> 223</span> <span class="keyword">explicit</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::set<std::string>& symbols);</div>
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<div class="line"><a id="l00224" name="l00224"></a><span class="lineno"> 224</span></div>
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<div class="line"><a id="l00238" name="l00238"></a><span class="lineno"> 238</span> <span class="keyword">explicit</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::set<atomic::Species>& species);</div>
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<div class="line"><a id="l00239" name="l00239"></a><span class="lineno"> 239</span> </div>
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<div class="line"><a id="l00240" name="l00240"></a><span class="lineno"> 240</span> <span class="keyword">explicit</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::unordered_set<std::string>& symbols);</div>
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<div class="line"><a id="l00241" name="l00241"></a><span class="lineno"> 241</span> <span class="keyword">explicit</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::unordered_set<atomic::Species>& species);</div>
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<div class="line"><a id="l00242" name="l00242"></a><span class="lineno"> 242</span></div>
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<div class="line"><a id="l00258" name="l00258"></a><span class="lineno"> 258</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::vector<std::string>& symbols, <span class="keyword">const</span> std::vector<double>& molarAbundances);</div>
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<div class="line"><a id="l00259" name="l00259"></a><span class="lineno"> 259</span></div>
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<div class="line"><a id="l00274" name="l00274"></a><span class="lineno"> 274</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::vector<atomic::Species>& species, <span class="keyword">const</span> std::vector<double>& molarAbundances);</div>
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<div class="line"><a id="l00275" name="l00275"></a><span class="lineno"> 275</span></div>
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<div class="line"><a id="l00291" name="l00291"></a><span class="lineno"> 291</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::set<std::string>& symbols, <span class="keyword">const</span> std::vector<double>& molarAbundances);</div>
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<div class="line"><a id="l00292" name="l00292"></a><span class="lineno"> 292</span> </div>
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<div class="line"><a id="l00293" name="l00293"></a><span class="lineno"> 293</span> <span class="keyword">explicit</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::unordered_map<std::string, double>& symbolMolarAbundances);</div>
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<div class="line"><a id="l00294" name="l00294"></a><span class="lineno"> 294</span> <span class="keyword">explicit</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::map<std::string, double>& symbolMolarAbundances);</div>
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<div class="line"><a id="l00295" name="l00295"></a><span class="lineno"> 295</span> </div>
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<div class="line"><a id="l00296" name="l00296"></a><span class="lineno"> 296</span> <span class="keyword">explicit</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::unordered_map<atomic::Species, double>& speciesMolarAbundances);</div>
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<div class="line"><a id="l00297" name="l00297"></a><span class="lineno"> 297</span> <span class="keyword">explicit</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::map<atomic::Species, double>& speciesMolarAbundances);</div>
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<div class="line"><a id="l00298" name="l00298"></a><span class="lineno"> 298</span> </div>
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<div class="line"><a id="l00299" name="l00299"></a><span class="lineno"> 299</span></div>
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<div class="line"><a id="l00304" name="l00304"></a><span class="lineno"> 304</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>& <a class="code hl_namespace" href="namespacefourdst_1_1composition.html">composition</a>);</div>
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<div class="line"><a id="l00305" name="l00305"></a><span class="lineno"> 305</span> </div>
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<div class="line"><a id="l00306" name="l00306"></a><span class="lineno"> 306</span> <span class="keyword">explicit</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> <a class="code hl_class" href="classfourdst_1_1composition_1_1_composition_abstract.html">CompositionAbstract</a>& <a class="code hl_namespace" href="namespacefourdst_1_1composition.html">composition</a>);</div>
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<div class="line"><a id="l00307" name="l00307"></a><span class="lineno"> 307</span></div>
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<div class="line"><a id="l00313" name="l00313"></a><span class="lineno"> 313</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>& <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a4ec1e23cfecef764cb831171fed62fc2">operator=</a>(<a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a> <span class="keyword">const</span>& other);</div>
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<div class="line"><a id="l00314" name="l00314"></a><span class="lineno"> 314</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>& <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a4ec1e23cfecef764cb831171fed62fc2">operator=</a>(<span class="keyword">const</span> <a class="code hl_class" href="classfourdst_1_1composition_1_1_composition_abstract.html">CompositionAbstract</a>& other);</div>
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<div class="line"><a id="l00315" name="l00315"></a><span class="lineno"> 315</span></div>
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<div class="line"><a id="l00330" name="l00330"></a><span class="lineno"> 330</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725">registerSymbol</a>(<span class="keyword">const</span> std::string& symbol);</div>
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<div class="line"><a id="l00331" name="l00331"></a><span class="lineno"> 331</span></div>
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<div class="line"><a id="l00346" name="l00346"></a><span class="lineno"> 346</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725">registerSymbol</a>(<span class="keyword">const</span> std::vector<std::string>& symbols);</div>
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<div class="line"><a id="l00347" name="l00347"></a><span class="lineno"> 347</span></div>
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<div class="line"><a id="l00370" name="l00370"></a><span class="lineno"> 370</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a392a34c19f45d6c936cc7030e6cfaf3f">registerSpecies</a>(<span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">atomic::Species</a>& species) <span class="keyword">noexcept</span>;</div>
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<div class="line"><a id="l00371" name="l00371"></a><span class="lineno"> 371</span> </div>
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<div class="line"><a id="l00372" name="l00372"></a><span class="lineno"> 372</span></div>
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<div class="line"><a id="l00392" name="l00392"></a><span class="lineno"> 392</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a392a34c19f45d6c936cc7030e6cfaf3f">registerSpecies</a>(<span class="keyword">const</span> std::vector<atomic::Species>& species) <span class="keyword">noexcept</span>;</div>
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<div class="line"><a id="l00393" name="l00393"></a><span class="lineno"> 393</span></div>
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<div class="line"><a id="l00399" name="l00399"></a><span class="lineno"> 399</span> [[nodiscard]] <span class="keywordtype">bool</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a194f715788e7921bd611579440de2ecd">contains</a>(<span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">atomic::Species</a>& species) <span class="keyword">const</span> <span class="keyword">noexcept</span> <span class="keyword">override</span>;</div>
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<div class="line"><a id="l00400" name="l00400"></a><span class="lineno"> 400</span></div>
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<div class="line"><a id="l00407" name="l00407"></a><span class="lineno"> 407</span> [[nodiscard]] <span class="keywordtype">bool</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a194f715788e7921bd611579440de2ecd">contains</a>(<span class="keyword">const</span> std::string& symbol) <span class="keyword">const override</span>;</div>
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|
<div class="line"><a id="l00408" name="l00408"></a><span class="lineno"> 408</span></div>
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<div class="line"><a id="l00413" name="l00413"></a><span class="lineno"> 413</span> [[nodiscard]] <span class="keywordtype">size_t</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a9d177d36b728442bcbd8cb66712c7c75">size</a>() const noexcept override;</div>
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<div class="line"><a id="l00414" name="l00414"></a><span class="lineno"> 414</span></div>
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<div class="line"><a id="l00431" name="l00431"></a><span class="lineno"> 431</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a262d7133035d4e6f45daa81827abf5e7">setMolarAbundance</a>(</div>
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<div class="line"><a id="l00432" name="l00432"></a><span class="lineno"> 432</span> const std::<span class="keywordtype">string</span>& symbol,</div>
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<div class="line"><a id="l00433" name="l00433"></a><span class="lineno"> 433</span> const <span class="keywordtype">double</span>& molar_abundance</div>
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<div class="line"><a id="l00434" name="l00434"></a><span class="lineno"> 434</span> );</div>
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<div class="line"><a id="l00435" name="l00435"></a><span class="lineno"> 435</span></div>
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<div class="line"><a id="l00455" name="l00455"></a><span class="lineno"> 455</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a262d7133035d4e6f45daa81827abf5e7">setMolarAbundance</a>(</div>
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|
<div class="line"><a id="l00456" name="l00456"></a><span class="lineno"> 456</span> const <a class="code hl_namespace" href="namespacefourdst_1_1atomic.html">atomic</a>::Species& species,</div>
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<div class="line"><a id="l00457" name="l00457"></a><span class="lineno"> 457</span> const <span class="keywordtype">double</span>& molar_abundance</div>
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|
<div class="line"><a id="l00458" name="l00458"></a><span class="lineno"> 458</span> );</div>
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<div class="line"><a id="l00459" name="l00459"></a><span class="lineno"> 459</span></div>
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<div class="line"><a id="l00475" name="l00475"></a><span class="lineno"> 475</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a262d7133035d4e6f45daa81827abf5e7">setMolarAbundance</a>(</div>
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|
<div class="line"><a id="l00476" name="l00476"></a><span class="lineno"> 476</span> const std::vector<std::<span class="keywordtype">string</span>>& symbols,</div>
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|
<div class="line"><a id="l00477" name="l00477"></a><span class="lineno"> 477</span> const std::vector<<span class="keywordtype">double</span>>& molar_abundances</div>
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|
<div class="line"><a id="l00478" name="l00478"></a><span class="lineno"> 478</span> );</div>
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<div class="line"><a id="l00479" name="l00479"></a><span class="lineno"> 479</span></div>
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<div class="line"><a id="l00498" name="l00498"></a><span class="lineno"> 498</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a262d7133035d4e6f45daa81827abf5e7">setMolarAbundance</a>(</div>
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|
<div class="line"><a id="l00499" name="l00499"></a><span class="lineno"> 499</span> const std::vector<<a class="code hl_namespace" href="namespacefourdst_1_1atomic.html">atomic</a>::Species>& species,</div>
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|
<div class="line"><a id="l00500" name="l00500"></a><span class="lineno"> 500</span> const std::vector<<span class="keywordtype">double</span>>& molar_abundances</div>
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|
<div class="line"><a id="l00501" name="l00501"></a><span class="lineno"> 501</span> );</div>
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<div class="line"><a id="l00502" name="l00502"></a><span class="lineno"> 502</span></div>
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<div class="line"><a id="l00519" name="l00519"></a><span class="lineno"> 519</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a262d7133035d4e6f45daa81827abf5e7">setMolarAbundance</a>(</div>
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|
<div class="line"><a id="l00520" name="l00520"></a><span class="lineno"> 520</span> const std::set<std::<span class="keywordtype">string</span>>& symbols,</div>
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|
<div class="line"><a id="l00521" name="l00521"></a><span class="lineno"> 521</span> const std::vector<<span class="keywordtype">double</span>>& molar_abundances</div>
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|
<div class="line"><a id="l00522" name="l00522"></a><span class="lineno"> 522</span> );</div>
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<div class="line"><a id="l00523" name="l00523"></a><span class="lineno"> 523</span></div>
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|
<div class="line"><a id="l00543" name="l00543"></a><span class="lineno"> 543</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a262d7133035d4e6f45daa81827abf5e7">setMolarAbundance</a>(</div>
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|
<div class="line"><a id="l00544" name="l00544"></a><span class="lineno"> 544</span> const std::set<<a class="code hl_namespace" href="namespacefourdst_1_1atomic.html">atomic</a>::Species>& species,</div>
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|
<div class="line"><a id="l00545" name="l00545"></a><span class="lineno"> 545</span> const std::vector<<span class="keywordtype">double</span>>& molar_abundances</div>
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|
<div class="line"><a id="l00546" name="l00546"></a><span class="lineno"> 546</span> );</div>
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|
<div class="line"><a id="l00547" name="l00547"></a><span class="lineno"> 547</span></div>
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|
<div class="line"><a id="l00556" name="l00556"></a><span class="lineno"> 556</span> [[nodiscard]] std::set<std::<span class="keywordtype">string</span>> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a3ae885c28580ae15be8c16614bef3b0e">getRegisteredSymbols</a>() const noexcept override;</div>
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|
<div class="line"><a id="l00557" name="l00557"></a><span class="lineno"> 557</span></div>
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|
<div class="line"><a id="l00566" name="l00566"></a><span class="lineno"> 566</span> [[nodiscard]] const std::vector<<a class="code hl_namespace" href="namespacefourdst_1_1atomic.html">atomic</a>::Species> &<a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#af4b01ec4140e278d92c18f139f69ab1f">getRegisteredSpecies</a>() const noexcept override;</div>
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|
<div class="line"><a id="l00567" name="l00567"></a><span class="lineno"> 567</span></div>
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|
<div class="line"><a id="l00574" name="l00574"></a><span class="lineno"> 574</span> [[nodiscard]] std::unordered_map<<a class="code hl_namespace" href="namespacefourdst_1_1atomic.html">atomic</a>::Species, <span class="keywordtype">double</span>> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a9ea2b673341fdc67afeb0f0517a54c8c">getMassFraction</a>() const noexcept override;</div>
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|
<div class="line"><a id="l00575" name="l00575"></a><span class="lineno"> 575</span></div>
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|
<div class="line"><a id="l00584" name="l00584"></a><span class="lineno"> 584</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a9ea2b673341fdc67afeb0f0517a54c8c">getMassFraction</a>(const std::<span class="keywordtype">string</span>& symbol) const override;</div>
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|
<div class="line"><a id="l00585" name="l00585"></a><span class="lineno"> 585</span></div>
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|
<div class="line"><a id="l00603" name="l00603"></a><span class="lineno"> 603</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a9ea2b673341fdc67afeb0f0517a54c8c">getMassFraction</a>(const <a class="code hl_namespace" href="namespacefourdst_1_1atomic.html">atomic</a>::Species& species) const override;</div>
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|
<div class="line"><a id="l00604" name="l00604"></a><span class="lineno"> 604</span></div>
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|
<div class="line"><a id="l00613" name="l00613"></a><span class="lineno"> 613</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a34f71d4d8f0297c576fd62fabd490305">getNumberFraction</a>(const std::<span class="keywordtype">string</span>& symbol) const override;</div>
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|
<div class="line"><a id="l00614" name="l00614"></a><span class="lineno"> 614</span></div>
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|
<div class="line"><a id="l00631" name="l00631"></a><span class="lineno"> 631</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a34f71d4d8f0297c576fd62fabd490305">getNumberFraction</a>(const <a class="code hl_namespace" href="namespacefourdst_1_1atomic.html">atomic</a>::Species& species) const override;</div>
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|
<div class="line"><a id="l00632" name="l00632"></a><span class="lineno"> 632</span></div>
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|
<div class="line"><a id="l00639" name="l00639"></a><span class="lineno"> 639</span> [[nodiscard]] std::unordered_map<<a class="code hl_namespace" href="namespacefourdst_1_1atomic.html">atomic</a>::Species, <span class="keywordtype">double</span>> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a34f71d4d8f0297c576fd62fabd490305">getNumberFraction</a>() const noexcept override;</div>
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|
<div class="line"><a id="l00640" name="l00640"></a><span class="lineno"> 640</span></div>
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|
<div class="line"><a id="l00651" name="l00651"></a><span class="lineno"> 651</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#add67a92d73e3a57a2bbdb52bc9ca3bfe">getMolarAbundance</a>(const std::<span class="keywordtype">string</span>& symbol) const override;</div>
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|
<div class="line"><a id="l00652" name="l00652"></a><span class="lineno"> 652</span></div>
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|
<div class="line"><a id="l00662" name="l00662"></a><span class="lineno"> 662</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#add67a92d73e3a57a2bbdb52bc9ca3bfe">getMolarAbundance</a>(const <a class="code hl_namespace" href="namespacefourdst_1_1atomic.html">atomic</a>::Species& species) const override;</div>
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|
<div class="line"><a id="l00663" name="l00663"></a><span class="lineno"> 663</span></div>
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|
<div class="line"><a id="l00677" name="l00677"></a><span class="lineno"> 677</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#afbbb5e51ad5ae5c0fa6bc0094195aecd">getMeanParticleMass</a>() const noexcept override;</div>
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|
<div class="line"><a id="l00678" name="l00678"></a><span class="lineno"> 678</span></div>
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|
<div class="line"><a id="l00692" name="l00692"></a><span class="lineno"> 692</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a90fc71d1fe03017ee4c7a1cac69d24fb">getElectronAbundance</a>() const noexcept override;</div>
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|
<div class="line"><a id="l00693" name="l00693"></a><span class="lineno"> 693</span> </div>
|
|
<div class="line"><a id="l00694" name="l00694"></a><span class="lineno"> 694</span></div>
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|
<div class="line"><a id="l00709" name="l00709"></a><span class="lineno"> 709</span> [[nodiscard]] <a class="code hl_struct" href="structfourdst_1_1composition_1_1_canonical_composition.html">CanonicalComposition</a> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#aac5b214a3d1278e127422224cb9cee50">getCanonicalComposition</a>() const;</div>
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|
<div class="line"><a id="l00710" name="l00710"></a><span class="lineno"> 710</span></div>
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|
<div class="line"><a id="l00716" name="l00716"></a><span class="lineno"> 716</span> [[nodiscard]] std::vector<<span class="keywordtype">double</span>> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#af4f44aaf8b7e0d63872a70b5e2131369">getMassFractionVector</a>() const noexcept override;</div>
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|
<div class="line"><a id="l00717" name="l00717"></a><span class="lineno"> 717</span></div>
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|
<div class="line"><a id="l00723" name="l00723"></a><span class="lineno"> 723</span> [[nodiscard]] std::vector<<span class="keywordtype">double</span>> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#ae4f72972cf4d1ff422d0790080e11473">getNumberFractionVector</a>() const noexcept override;</div>
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|
<div class="line"><a id="l00724" name="l00724"></a><span class="lineno"> 724</span></div>
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|
<div class="line"><a id="l00730" name="l00730"></a><span class="lineno"> 730</span> [[nodiscard]] std::vector<<span class="keywordtype">double</span>> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#abcb391f5fca2b636127e48e681e4c3ee">getMolarAbundanceVector</a>() const noexcept override;</div>
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|
<div class="line"><a id="l00731" name="l00731"></a><span class="lineno"> 731</span></div>
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|
<div class="line"><a id="l00740" name="l00740"></a><span class="lineno"> 740</span> [[nodiscard]] <span class="keywordtype">size_t</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a0d94f62402bb90b5d12679faeaa8c5d7">getSpeciesIndex</a>(const std::<span class="keywordtype">string</span>& symbol) const override;</div>
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<div class="line"><a id="l00741" name="l00741"></a><span class="lineno"> 741</span></div>
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|
<div class="line"><a id="l00749" name="l00749"></a><span class="lineno"> 749</span> [[nodiscard]] <span class="keywordtype">size_t</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a0d94f62402bb90b5d12679faeaa8c5d7">getSpeciesIndex</a>(const <a class="code hl_namespace" href="namespacefourdst_1_1atomic.html">atomic</a>::Species& species) const override;</div>
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|
<div class="line"><a id="l00750" name="l00750"></a><span class="lineno"> 750</span></div>
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|
<div class="line"><a id="l00758" name="l00758"></a><span class="lineno"> 758</span> [[nodiscard]] <a class="code hl_namespace" href="namespacefourdst_1_1atomic.html">atomic</a>::Species <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#ae4f854ded38f5e6fcd157a74a57cbf0c">getSpeciesAtIndex</a>(<span class="keywordtype">size_t</span> index) const override;</div>
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|
<div class="line"><a id="l00759" name="l00759"></a><span class="lineno"> 759</span> </div>
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|
<div class="line"><a id="l00760" name="l00760"></a><span class="lineno"> 760</span> [[nodiscard]] std::unique_ptr<<a class="code hl_class" href="classfourdst_1_1composition_1_1_composition_abstract.html">CompositionAbstract</a>> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a5a1f5661a329ec7bc8b7e118ff9d6c25">clone</a>() const override;</div>
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|
<div class="line"><a id="l00761" name="l00761"></a><span class="lineno"> 761</span></div>
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|
<div class="line"><a id="l00768" name="l00768"></a><span class="lineno"> 768</span> friend std::ostream& operator<<(std::ostream& os, const <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>& <a class="code hl_namespace" href="namespacefourdst_1_1composition.html">composition</a>);</div>
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|
<div class="line"><a id="l00769" name="l00769"></a><span class="lineno"> 769</span></div>
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|
<div class="foldopen" id="foldopen00787" data-start="{" data-end="}">
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|
<div class="line"><a id="l00787" name="l00787"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#a5bdb6ca3f734fae901b3d6179dbc17a0"> 787</a></span> [[nodiscard]] <a class="code hl_typedef" href="classfourdst_1_1composition_1_1_composition.html#a7eace279c95ac7cccb05434320203343">iterator</a> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a5bdb6ca3f734fae901b3d6179dbc17a0">begin</a>()<span class="keyword"> override </span>{</div>
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<div class="line"><a id="l00788" name="l00788"></a><span class="lineno"> 788</span> <span class="keywordflow">return</span> {<a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#aa0edc4976ccd24f2d9f6ad730f058b27">m_species</a>.begin(), <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#ab2faabe2e64c587bda8106687f752479">m_molarAbundances</a>.begin()};</div>
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|
<div class="line"><a id="l00789" name="l00789"></a><span class="lineno"> 789</span> }</div>
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|
</div>
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|
<div class="line"><a id="l00790" name="l00790"></a><span class="lineno"> 790</span></div>
|
|
<div class="foldopen" id="foldopen00808" data-start="{" data-end="}">
|
|
<div class="line"><a id="l00808" name="l00808"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#ae4600dc915645fc1b50c67e0218b794d"> 808</a></span> [[nodiscard]] <a class="code hl_typedef" href="classfourdst_1_1composition_1_1_composition.html#a38bbc17eb83b6155163382b27b3818e6">const_iterator</a> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#ae4600dc915645fc1b50c67e0218b794d">begin</a>()<span class="keyword"> const override </span>{</div>
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|
<div class="line"><a id="l00809" name="l00809"></a><span class="lineno"> 809</span> <span class="keywordflow">return</span> {<a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#aa0edc4976ccd24f2d9f6ad730f058b27">m_species</a>.cbegin(), <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#ab2faabe2e64c587bda8106687f752479">m_molarAbundances</a>.cbegin()};</div>
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|
<div class="line"><a id="l00810" name="l00810"></a><span class="lineno"> 810</span> }</div>
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|
</div>
|
|
<div class="line"><a id="l00811" name="l00811"></a><span class="lineno"> 811</span></div>
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|
<div class="foldopen" id="foldopen00829" data-start="{" data-end="}">
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<div class="line"><a id="l00829" name="l00829"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#aaa89050308dda5e51d4b47d18d54cb58"> 829</a></span> [[nodiscard]] <a class="code hl_class" href="classfourdst_1_1composition_1_1detail_1_1_composition_iterator.html">detail::CompositionIterator<false></a> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#aaa89050308dda5e51d4b47d18d54cb58">end</a>()<span class="keyword"> override </span>{</div>
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<div class="line"><a id="l00830" name="l00830"></a><span class="lineno"> 830</span> <span class="keywordflow">return</span> {<a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#aa0edc4976ccd24f2d9f6ad730f058b27">m_species</a>.end(), <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#ab2faabe2e64c587bda8106687f752479">m_molarAbundances</a>.end()};</div>
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<div class="line"><a id="l00831" name="l00831"></a><span class="lineno"> 831</span> }</div>
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</div>
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<div class="line"><a id="l00832" name="l00832"></a><span class="lineno"> 832</span></div>
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<div class="foldopen" id="foldopen00850" data-start="{" data-end="}">
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<div class="line"><a id="l00850" name="l00850"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#aabcde53961ecadfa823de5a766f0da84"> 850</a></span> [[nodiscard]] <a class="code hl_class" href="classfourdst_1_1composition_1_1detail_1_1_composition_iterator.html">detail::CompositionIterator<true></a> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#aabcde53961ecadfa823de5a766f0da84">end</a>()<span class="keyword"> const override </span>{</div>
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<div class="line"><a id="l00851" name="l00851"></a><span class="lineno"> 851</span> <span class="keywordflow">return</span> {<a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#aa0edc4976ccd24f2d9f6ad730f058b27">m_species</a>.cend(), <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#ab2faabe2e64c587bda8106687f752479">m_molarAbundances</a>.cend()};</div>
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<div class="line"><a id="l00852" name="l00852"></a><span class="lineno"> 852</span> }</div>
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</div>
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<div class="line"><a id="l00853" name="l00853"></a><span class="lineno"> 853</span> </div>
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<div class="line"><a id="l00854" name="l00854"></a><span class="lineno"> 854</span> [[nodiscard]] std::size_t <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a5b3631fa33b0c6809ad652b0e31663a1">hash</a>() <span class="keyword">const override</span>;</div>
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<div class="line"><a id="l00855" name="l00855"></a><span class="lineno"> 855</span> </div>
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<div class="line"><a id="l00856" name="l00856"></a><span class="lineno"> 856</span> };</div>
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</div>
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<div class="line"><a id="l00857" name="l00857"></a><span class="lineno"> 857</span> </div>
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<div class="foldopen" id="foldopen00858" data-start="{" data-end="}">
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<div class="line"><a id="l00858" name="l00858"></a><span class="lineno"><a class="line" href="namespacefourdst_1_1composition.html#a06f5abc74104de40349e47ad367c402a"> 858</a></span> <span class="keyword">inline</span> <span class="keywordtype">bool</span> <a class="code hl_function" href="namespacefourdst_1_1composition.html#a06f5abc74104de40349e47ad367c402a">operator==</a>(<span class="keyword">const</span> <a class="code hl_class" href="classfourdst_1_1composition_1_1_composition.html">Composition</a>& a, <span class="keyword">const</span> <a class="code hl_class" href="classfourdst_1_1composition_1_1_composition.html">Composition</a>& b) <span class="keyword">noexcept</span> {</div>
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<div class="line"><a id="l00859" name="l00859"></a><span class="lineno"> 859</span> <span class="keywordflow">if</span> (a.size() != b.size()) <span class="keywordflow">return</span> <span class="keyword">false</span>;</div>
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<div class="line"><a id="l00860" name="l00860"></a><span class="lineno"> 860</span> </div>
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<div class="line"><a id="l00861" name="l00861"></a><span class="lineno"> 861</span> <span class="keywordflow">if</span> (a.getRegisteredSpecies() != b.getRegisteredSpecies())</div>
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<div class="line"><a id="l00862" name="l00862"></a><span class="lineno"> 862</span> <span class="keywordflow">return</span> <span class="keyword">false</span>;</div>
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<div class="line"><a id="l00863" name="l00863"></a><span class="lineno"> 863</span> </div>
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<div class="line"><a id="l00864" name="l00864"></a><span class="lineno"> 864</span> <span class="keywordflow">return</span> a.hash() == b.hash();</div>
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<div class="line"><a id="l00865" name="l00865"></a><span class="lineno"> 865</span> }</div>
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</div>
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<div class="line"><a id="l00866" name="l00866"></a><span class="lineno"> 866</span>}; <span class="comment">// namespace fourdst::composition</span></div>
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<div class="ttc" id="aatomic_species_8h_html"><div class="ttname"><a href="atomic_species_8h.html">atomicSpecies.h</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_abstract_html"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition_abstract.html">fourdst::composition::CompositionAbstract</a></div><div class="ttdoc">Abstract base class for chemical composition representations.</div><div class="ttdef"><b>Definition</b> <a href="composition__abstract_8h_source.html#l00036">composition_abstract.h:36</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html">fourdst::composition::Composition</a></div><div class="ttdoc">Manages a collection of chemical species and their abundances.</div><div class="ttdef"><b>Definition</b> <a href="#l00099">composition.h:99</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a02cd9d9608da082a200fdfa86d14bf5d"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a02cd9d9608da082a200fdfa86d14bf5d">fourdst::composition::Composition::m_cache</a></div><div class="ttdeci">CompositionCache m_cache</div><div class="ttdoc">Cache for computed properties to avoid redundant calculations.</div><div class="ttdef"><b>Definition</b> <a href="#l00167">composition.h:167</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a08c1d1fe9384c5255a6ba40e34b18315"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a08c1d1fe9384c5255a6ba40e34b18315">fourdst::composition::Composition::~Composition</a></div><div class="ttdeci">~Composition() override=default</div><div class="ttdoc">Default destructor.</div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a0d94f62402bb90b5d12679faeaa8c5d7"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a0d94f62402bb90b5d12679faeaa8c5d7">fourdst::composition::Composition::getSpeciesIndex</a></div><div class="ttdeci">size_t getSpeciesIndex(const std::string &symbol) const override</div><div class="ttdoc">get the index in the sorted vector representation for a given symbol</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00639">composition.cpp:639</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a194f715788e7921bd611579440de2ecd"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a194f715788e7921bd611579440de2ecd">fourdst::composition::Composition::contains</a></div><div class="ttdeci">bool contains(const atomic::Species &species) const noexcept override</div><div class="ttdoc">Checks if a given species is present in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00693">composition.cpp:693</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a23b83b76ee025f6fc009184ee19bba88"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">fourdst::composition::Composition::Composition</a></div><div class="ttdeci">Composition()=default</div><div class="ttdoc">Default constructor.</div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a262d7133035d4e6f45daa81827abf5e7"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a262d7133035d4e6f45daa81827abf5e7">fourdst::composition::Composition::setMolarAbundance</a></div><div class="ttdeci">void setMolarAbundance(const std::string &symbol, const double &molar_abundance)</div><div class="ttdoc">Sets the molar abundance for a given symbol.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00321">composition.cpp:321</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a34f71d4d8f0297c576fd62fabd490305"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a34f71d4d8f0297c576fd62fabd490305">fourdst::composition::Composition::getNumberFraction</a></div><div class="ttdeci">double getNumberFraction(const std::string &symbol) const override</div><div class="ttdoc">Gets the number fraction for a given symbol. See the overload for species-based lookup for more detai...</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00469">composition.cpp:469</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a38bbc17eb83b6155163382b27b3818e6"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a38bbc17eb83b6155163382b27b3818e6">fourdst::composition::Composition::const_iterator</a></div><div class="ttdeci">detail::CompositionIterator< true > const_iterator</div><div class="ttdef"><b>Definition</b> <a href="#l00102">composition.h:102</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a392a34c19f45d6c936cc7030e6cfaf3f"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a392a34c19f45d6c936cc7030e6cfaf3f">fourdst::composition::Composition::registerSpecies</a></div><div class="ttdeci">void registerSpecies(const atomic::Species &species) noexcept</div><div class="ttdoc">Registers a new species by extracting its symbol.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00251">composition.cpp:251</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a3ab4dcda0bfd1a35b169bcc57fe66725"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725">fourdst::composition::Composition::registerSymbol</a></div><div class="ttdeci">void registerSymbol(const std::string &symbol)</div><div class="ttdoc">Registers a new symbol for inclusion in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00234">composition.cpp:234</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a3ae885c28580ae15be8c16614bef3b0e"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a3ae885c28580ae15be8c16614bef3b0e">fourdst::composition::Composition::getRegisteredSymbols</a></div><div class="ttdeci">std::set< std::string > getRegisteredSymbols() const noexcept override</div><div class="ttdoc">Gets the registered symbols.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00304">composition.cpp:304</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a3f013e33b8978baf81447e5bd177f38b"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a3f013e33b8978baf81447e5bd177f38b">fourdst::composition::Composition::symbolVectorToSpeciesVector</a></div><div class="ttdeci">static std::vector< atomic::Species > symbolVectorToSpeciesVector(const std::vector< std::string > &symbols)</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00725">composition.cpp:725</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a46a706f9e4c06a45b45ae3dffdde5e9e"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e">fourdst::composition::Composition::getLogger</a></div><div class="ttdeci">static quill::Logger * getLogger()</div><div class="ttdoc">Gets the logger instance for the Composition class. This is static to ensure that all composition obj...</div><div class="ttdef"><b>Definition</b> <a href="#l00156">composition.h:156</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a4ec1e23cfecef764cb831171fed62fc2"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a4ec1e23cfecef764cb831171fed62fc2">fourdst::composition::Composition::operator=</a></div><div class="ttdeci">Composition & operator=(Composition const &other)</div><div class="ttdoc">Assignment operator.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00204">composition.cpp:204</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a5a1f5661a329ec7bc8b7e118ff9d6c25"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a5a1f5661a329ec7bc8b7e118ff9d6c25">fourdst::composition::Composition::clone</a></div><div class="ttdeci">std::unique_ptr< CompositionAbstract > clone() const override</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00226">composition.cpp:226</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a5b3631fa33b0c6809ad652b0e31663a1"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a5b3631fa33b0c6809ad652b0e31663a1">fourdst::composition::Composition::hash</a></div><div class="ttdeci">std::size_t hash() const override</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00684">composition.cpp:684</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a5bdb6ca3f734fae901b3d6179dbc17a0"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a5bdb6ca3f734fae901b3d6179dbc17a0">fourdst::composition::Composition::begin</a></div><div class="ttdeci">iterator begin() override</div><div class="ttdoc">Returns an iterator to the beginning of the molar abundance map.</div><div class="ttdef"><b>Definition</b> <a href="#l00787">composition.h:787</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a7eace279c95ac7cccb05434320203343"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a7eace279c95ac7cccb05434320203343">fourdst::composition::Composition::iterator</a></div><div class="ttdeci">detail::CompositionIterator< false > iterator</div><div class="ttdef"><b>Definition</b> <a href="#l00101">composition.h:101</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a90fc71d1fe03017ee4c7a1cac69d24fb"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a90fc71d1fe03017ee4c7a1cac69d24fb">fourdst::composition::Composition::getElectronAbundance</a></div><div class="ttdeci">double getElectronAbundance() const noexcept override</div><div class="ttdoc">Compute the electron abundance of the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00543">composition.cpp:543</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a9d177d36b728442bcbd8cb66712c7c75"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a9d177d36b728442bcbd8cb66712c7c75">fourdst::composition::Composition::size</a></div><div class="ttdeci">size_t size() const noexcept override</div><div class="ttdoc">Gets the number of registered species in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00709">composition.cpp:709</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a9ea2b673341fdc67afeb0f0517a54c8c"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a9ea2b673341fdc67afeb0f0517a54c8c">fourdst::composition::Composition::getMassFraction</a></div><div class="ttdeci">std::unordered_map< atomic::Species, double > getMassFraction() const noexcept override</div><div class="ttdoc">Gets the mass fractions of all species in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00460">composition.cpp:460</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_aa0edc4976ccd24f2d9f6ad730f058b27"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#aa0edc4976ccd24f2d9f6ad730f058b27">fourdst::composition::Composition::m_species</a></div><div class="ttdeci">std::vector< atomic::Species > m_species</div><div class="ttdef"><b>Definition</b> <a href="#l00164">composition.h:164</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_aaa89050308dda5e51d4b47d18d54cb58"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#aaa89050308dda5e51d4b47d18d54cb58">fourdst::composition::Composition::end</a></div><div class="ttdeci">detail::CompositionIterator< false > end() override</div><div class="ttdoc">Returns an iterator to the end of the molar abundance map.</div><div class="ttdef"><b>Definition</b> <a href="#l00829">composition.h:829</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_aabcde53961ecadfa823de5a766f0da84"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#aabcde53961ecadfa823de5a766f0da84">fourdst::composition::Composition::end</a></div><div class="ttdeci">detail::CompositionIterator< true > end() const override</div><div class="ttdoc">Returns a const iterator to the end of the molar abundance map.</div><div class="ttdef"><b>Definition</b> <a href="#l00850">composition.h:850</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_aac5b214a3d1278e127422224cb9cee50"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#aac5b214a3d1278e127422224cb9cee50">fourdst::composition::Composition::getCanonicalComposition</a></div><div class="ttdeci">CanonicalComposition getCanonicalComposition() const</div><div class="ttdoc">Compute the canonical composition (X, Y, Z) of the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00552">composition.cpp:552</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_ab2faabe2e64c587bda8106687f752479"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#ab2faabe2e64c587bda8106687f752479">fourdst::composition::Composition::m_molarAbundances</a></div><div class="ttdeci">std::vector< double > m_molarAbundances</div><div class="ttdef"><b>Definition</b> <a href="#l00165">composition.h:165</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_abcb391f5fca2b636127e48e681e4c3ee"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#abcb391f5fca2b636127e48e681e4c3ee">fourdst::composition::Composition::getMolarAbundanceVector</a></div><div class="ttdeci">std::vector< double > getMolarAbundanceVector() const noexcept override</div><div class="ttdoc">Get a uniform vector representation of the molar abundances stored in the composition object sorted s...</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00631">composition.cpp:631</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_add67a92d73e3a57a2bbdb52bc9ca3bfe"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#add67a92d73e3a57a2bbdb52bc9ca3bfe">fourdst::composition::Composition::getMolarAbundance</a></div><div class="ttdeci">double getMolarAbundance(const std::string &symbol) const override</div><div class="ttdoc">Gets the molar abundances of all species in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00504">composition.cpp:504</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_aded88f0ad4a97eaae1e356fa8428cab5"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#aded88f0ad4a97eaae1e356fa8428cab5">fourdst::composition::Composition::findSpeciesIndex</a></div><div class="ttdeci">std::expected< std::ptrdiff_t, SpeciesIndexLookupError > findSpeciesIndex(const atomic::Species &species) const noexcept</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00713">composition.cpp:713</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_ae4600dc915645fc1b50c67e0218b794d"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#ae4600dc915645fc1b50c67e0218b794d">fourdst::composition::Composition::begin</a></div><div class="ttdeci">const_iterator begin() const override</div><div class="ttdoc">Returns a const iterator to the beginning of the molar abundance map.</div><div class="ttdef"><b>Definition</b> <a href="#l00808">composition.h:808</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_ae4f72972cf4d1ff422d0790080e11473"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#ae4f72972cf4d1ff422d0790080e11473">fourdst::composition::Composition::getNumberFractionVector</a></div><div class="ttdeci">std::vector< double > getNumberFractionVector() const noexcept override</div><div class="ttdoc">Get a uniform vector representation of the number fractions stored in the composition object sorted s...</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00614">composition.cpp:614</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_ae4f854ded38f5e6fcd157a74a57cbf0c"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#ae4f854ded38f5e6fcd157a74a57cbf0c">fourdst::composition::Composition::getSpeciesAtIndex</a></div><div class="ttdeci">atomic::Species getSpeciesAtIndex(size_t index) const override</div><div class="ttdoc">Get the species at a given index in the sorted vector representation.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00668">composition.cpp:668</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_aeef903d5b7d02467c6462d183ac47db8"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#aeef903d5b7d02467c6462d183ac47db8">fourdst::composition::Composition::SpeciesIndexLookupError</a></div><div class="ttdeci">SpeciesIndexLookupError</div><div class="ttdef"><b>Definition</b> <a href="#l00146">composition.h:146</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_aeef903d5b7d02467c6462d183ac47db8a3659baf2b06bba6c02bad8316d517761"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#aeef903d5b7d02467c6462d183ac47db8a3659baf2b06bba6c02bad8316d517761">fourdst::composition::Composition::SpeciesIndexLookupError::SPECIES_NOT_FOUND</a></div><div class="ttdeci">@ SPECIES_NOT_FOUND</div><div class="ttdef"><b>Definition</b> <a href="#l00148">composition.h:148</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_aeef903d5b7d02467c6462d183ac47db8ac7cc0e85688b85571f30fd16a46d9891"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#aeef903d5b7d02467c6462d183ac47db8ac7cc0e85688b85571f30fd16a46d9891">fourdst::composition::Composition::SpeciesIndexLookupError::NO_REGISTERED_SPECIES</a></div><div class="ttdeci">@ NO_REGISTERED_SPECIES</div><div class="ttdef"><b>Definition</b> <a href="#l00147">composition.h:147</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_af4b01ec4140e278d92c18f139f69ab1f"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#af4b01ec4140e278d92c18f139f69ab1f">fourdst::composition::Composition::getRegisteredSpecies</a></div><div class="ttdeci">const std::vector< atomic::Species > & getRegisteredSpecies() const noexcept override</div><div class="ttdoc">Get a set of all species that are registered in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00312">composition.cpp:312</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_af4f44aaf8b7e0d63872a70b5e2131369"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#af4f44aaf8b7e0d63872a70b5e2131369">fourdst::composition::Composition::getMassFractionVector</a></div><div class="ttdeci">std::vector< double > getMassFractionVector() const noexcept override</div><div class="ttdoc">Get a uniform vector representation of the mass fraction stored in the composition object sorted such...</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00596">composition.cpp:596</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_afbbb5e51ad5ae5c0fa6bc0094195aecd"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#afbbb5e51ad5ae5c0fa6bc0094195aecd">fourdst::composition::Composition::getMeanParticleMass</a></div><div class="ttdeci">double getMeanParticleMass() const noexcept override</div><div class="ttdoc">Compute the mean particle mass of the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00530">composition.cpp:530</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1detail_1_1_composition_iterator_html"><div class="ttname"><a href="classfourdst_1_1composition_1_1detail_1_1_composition_iterator.html">fourdst::composition::detail::CompositionIterator</a></div><div class="ttdef"><b>Definition</b> <a href="composition__abstract__iterator_8h_source.html#l00013">composition_abstract_iterator.h:13</a></div></div>
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<div class="ttc" id="acomposition__abstract_8h_html"><div class="ttname"><a href="composition__abstract_8h.html">composition_abstract.h</a></div></div>
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<div class="ttc" id="anamespacefourdst_1_1atomic_html"><div class="ttname"><a href="namespacefourdst_1_1atomic.html">fourdst::atomic</a></div><div class="ttdoc">Contains canonical information about atomic species and elements used by 4D-STAR.</div></div>
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<div class="ttc" id="anamespacefourdst_1_1composition_html"><div class="ttname"><a href="namespacefourdst_1_1composition.html">fourdst::composition</a></div><div class="ttdoc">Utilities and types for representing and manipulating chemical compositions.</div></div>
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<div class="ttc" id="anamespacefourdst_1_1composition_html_a06f5abc74104de40349e47ad367c402a"><div class="ttname"><a href="namespacefourdst_1_1composition.html#a06f5abc74104de40349e47ad367c402a">fourdst::composition::operator==</a></div><div class="ttdeci">bool operator==(const Composition &a, const Composition &b) noexcept</div><div class="ttdef"><b>Definition</b> <a href="#l00858">composition.h:858</a></div></div>
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<div class="ttc" id="astructfourdst_1_1atomic_1_1_species_html"><div class="ttname"><a href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a></div><div class="ttdoc">Represents an atomic species (isotope) with its fundamental physical properties.</div><div class="ttdef"><b>Definition</b> <a href="atomic_species_8h_source.html#l00052">atomicSpecies.h:52</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_canonical_composition_html"><div class="ttname"><a href="structfourdst_1_1composition_1_1_canonical_composition.html">fourdst::composition::CanonicalComposition</a></div><div class="ttdoc">Represents the canonical (X, Y, Z) composition of stellar material.</div><div class="ttdef"><b>Definition</b> <a href="#l00046">composition.h:46</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_canonical_composition_html_a6e447cb601af6bcbd09e290aef759672"><div class="ttname"><a href="structfourdst_1_1composition_1_1_canonical_composition.html#a6e447cb601af6bcbd09e290aef759672">fourdst::composition::CanonicalComposition::operator<<</a></div><div class="ttdeci">friend std::ostream & operator<<(std::ostream &os, const CanonicalComposition &composition)</div><div class="ttdoc">Overloads the stream insertion operator for easy printing.</div><div class="ttdef"><b>Definition</b> <a href="#l00057">composition.h:57</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_canonical_composition_html_a93927bfccc5d2b3906565d092ed4f7f4"><div class="ttname"><a href="structfourdst_1_1composition_1_1_canonical_composition.html#a93927bfccc5d2b3906565d092ed4f7f4">fourdst::composition::CanonicalComposition::Y</a></div><div class="ttdeci">double Y</div><div class="ttdoc">Mass fraction of Helium.</div><div class="ttdef"><b>Definition</b> <a href="#l00048">composition.h:48</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_canonical_composition_html_abe5b01574242f8eaabd00c3d653291f7"><div class="ttname"><a href="structfourdst_1_1composition_1_1_canonical_composition.html#abe5b01574242f8eaabd00c3d653291f7">fourdst::composition::CanonicalComposition::X</a></div><div class="ttdeci">double X</div><div class="ttdoc">Mass fraction of Hydrogen.</div><div class="ttdef"><b>Definition</b> <a href="#l00047">composition.h:47</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_canonical_composition_html_ae1981f5ddd36abd17a4a69fa1f43de18"><div class="ttname"><a href="structfourdst_1_1composition_1_1_canonical_composition.html#ae1981f5ddd36abd17a4a69fa1f43de18">fourdst::composition::CanonicalComposition::Z</a></div><div class="ttdeci">double Z</div><div class="ttdoc">Mass fraction of Metals.</div><div class="ttdef"><b>Definition</b> <a href="#l00049">composition.h:49</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_1_1_composition_cache_html"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html">fourdst::composition::Composition::CompositionCache</a></div><div class="ttdoc">Caches computed properties of the composition to avoid redundant calculations.</div><div class="ttdef"><b>Definition</b> <a href="#l00111">composition.h:111</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_1_1_composition_cache_html_a14761ff2df5423884330e423ec38e98c"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a14761ff2df5423884330e423ec38e98c">fourdst::composition::Composition::CompositionCache::sortedSpecies</a></div><div class="ttdeci">std::optional< std::vector< atomic::Species > > sortedSpecies</div><div class="ttdoc">Cached vector of sorted species (by mass).</div><div class="ttdef"><b>Definition</b> <a href="#l00116">composition.h:116</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_1_1_composition_cache_html_a41ce9d6b4a0f00030e3027b23c0269fb"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a41ce9d6b4a0f00030e3027b23c0269fb">fourdst::composition::Composition::CompositionCache::numberFractions</a></div><div class="ttdeci">std::optional< std::vector< double > > numberFractions</div><div class="ttdoc">Cached vector of number fractions.</div><div class="ttdef"><b>Definition</b> <a href="#l00114">composition.h:114</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_1_1_composition_cache_html_a459e01b94eb0e78dd95bb6932a967f13"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a459e01b94eb0e78dd95bb6932a967f13">fourdst::composition::Composition::CompositionCache::canonicalComp</a></div><div class="ttdeci">std::optional< CanonicalComposition > canonicalComp</div><div class="ttdoc">Cached canonical composition data.</div><div class="ttdef"><b>Definition</b> <a href="#l00112">composition.h:112</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_1_1_composition_cache_html_a8580c92659fff18f7453496939ecd427"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#a8580c92659fff18f7453496939ecd427">fourdst::composition::Composition::CompositionCache::hash</a></div><div class="ttdeci">std::optional< std::size_t > hash</div><div class="ttdef"><b>Definition</b> <a href="#l00119">composition.h:119</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_1_1_composition_cache_html_ab74c9cd92ba8aaf5f95c8ca5284206a6"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#ab74c9cd92ba8aaf5f95c8ca5284206a6">fourdst::composition::Composition::CompositionCache::molarAbundances</a></div><div class="ttdeci">std::optional< std::vector< double > > molarAbundances</div><div class="ttdoc">Cached vector of molar abundances.</div><div class="ttdef"><b>Definition</b> <a href="#l00115">composition.h:115</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_1_1_composition_cache_html_abe45010a5104562d3ebecc77393c04ce"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#abe45010a5104562d3ebecc77393c04ce">fourdst::composition::Composition::CompositionCache::sortedSymbols</a></div><div class="ttdeci">std::optional< std::vector< std::string > > sortedSymbols</div><div class="ttdoc">Cached vector of sorted species (by mass).</div><div class="ttdef"><b>Definition</b> <a href="#l00117">composition.h:117</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_1_1_composition_cache_html_ac8b576c3b48c4cedda6e9e2790072b0d"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#ac8b576c3b48c4cedda6e9e2790072b0d">fourdst::composition::Composition::CompositionCache::clear</a></div><div class="ttdeci">void clear()</div><div class="ttdoc">Clears all cached values.</div><div class="ttdef"><b>Definition</b> <a href="#l00124">composition.h:124</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_1_1_composition_cache_html_add5ce97ae6a1796c5f6488bfa1555be6"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#add5ce97ae6a1796c5f6488bfa1555be6">fourdst::composition::Composition::CompositionCache::massFractions</a></div><div class="ttdeci">std::optional< std::vector< double > > massFractions</div><div class="ttdoc">Cached vector of mass fractions.</div><div class="ttdef"><b>Definition</b> <a href="#l00113">composition.h:113</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_1_1_composition_cache_html_ae844e5a1d2b85c7cfee50157ccf189ce"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#ae844e5a1d2b85c7cfee50157ccf189ce">fourdst::composition::Composition::CompositionCache::Ye</a></div><div class="ttdeci">std::optional< double > Ye</div><div class="ttdoc">Cached electron abundance.</div><div class="ttdef"><b>Definition</b> <a href="#l00118">composition.h:118</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_1_1_composition_cache_html_af291583560120bb53c4546a598666477"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_1_1_composition_cache.html#af291583560120bb53c4546a598666477">fourdst::composition::Composition::CompositionCache::is_clear</a></div><div class="ttdeci">bool is_clear() const</div><div class="ttdoc">Checks if the cache is clear (i.e., all cached values are empty).</div><div class="ttdef"><b>Definition</b> <a href="#l00139">composition.h:139</a></div></div>
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