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docs(docs): added robust docs
2025-07-24 09:35:52 -04:00
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<div id="projectname">fourdst::libcomposition<span id="projectnumber">&#160;v1.5.2</span>
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<div id="projectbrief">Robust atomic species information library</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>
<div class="line"><a id="l00002" name="l00002"></a><span class="lineno"> 2</span><span class="comment">//</span></div>
<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>
<div class="line"><a id="l00004" name="l00004"></a><span class="lineno"> 4</span><span class="comment">// File Author: Emily Boudreaux</span></div>
<div class="line"><a id="l00005" name="l00005"></a><span class="lineno"> 5</span><span class="comment">// Last Modified: March 26, 2025</span></div>
<div class="line"><a id="l00006" name="l00006"></a><span class="lineno"> 6</span><span class="comment">//</span></div>
<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>
<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>
<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>
<div class="line"><a id="l00010" name="l00010"></a><span class="lineno"> 10</span><span class="comment">//</span></div>
<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>
<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>
<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>
<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>
<div class="line"><a id="l00015" name="l00015"></a><span class="lineno"> 15</span><span class="comment">//</span></div>
<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>
<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>
<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>
<div class="line"><a id="l00019" name="l00019"></a><span class="lineno"> 19</span><span class="comment">//</span></div>
<div class="line"><a id="l00020" name="l00020"></a><span class="lineno"> 20</span><span class="comment">// *********************************************************************** */</span></div>
<div class="line"><a id="l00021" name="l00021"></a><span class="lineno"> 21</span><span class="preprocessor">#pragma once</span></div>
<div class="line"><a id="l00022" name="l00022"></a><span class="lineno"> 22</span> </div>
<div class="line"><a id="l00023" name="l00023"></a><span class="lineno"> 23</span><span class="preprocessor">#include &lt;string&gt;</span></div>
<div class="line"><a id="l00024" name="l00024"></a><span class="lineno"> 24</span><span class="preprocessor">#include &lt;unordered_map&gt;</span></div>
<div class="line"><a id="l00025" name="l00025"></a><span class="lineno"> 25</span><span class="preprocessor">#include &lt;set&gt;</span></div>
<div class="line"><a id="l00026" name="l00026"></a><span class="lineno"> 26</span> </div>
<div class="line"><a id="l00027" name="l00027"></a><span class="lineno"> 27</span><span class="preprocessor">#include &lt;utility&gt;</span></div>
<div class="line"><a id="l00028" name="l00028"></a><span class="lineno"> 28</span> </div>
<div class="line"><a id="l00029" name="l00029"></a><span class="lineno"> 29</span><span class="preprocessor">#include &quot;fourdst/config/config.h&quot;</span></div>
<div class="line"><a id="l00030" name="l00030"></a><span class="lineno"> 30</span><span class="preprocessor">#include &quot;fourdst/logging/logging.h&quot;</span></div>
<div class="line"><a id="l00031" name="l00031"></a><span class="lineno"> 31</span><span class="preprocessor">#include &quot;<a class="code" href="atomic_species_8h.html">fourdst/composition/atomicSpecies.h</a>&quot;</span></div>
<div class="line"><a id="l00032" name="l00032"></a><span class="lineno"> 32</span> </div>
<div class="foldopen" id="foldopen00033" data-start="{" data-end="}">
<div class="line"><a id="l00033" name="l00033"></a><span class="lineno"><a class="line" href="namespacefourdst_1_1composition.html"> 33</a></span><span class="keyword">namespace </span><a class="code hl_namespace" href="namespacefourdst_1_1composition.html">fourdst::composition</a> {</div>
<div class="foldopen" id="foldopen00043" data-start="{" data-end="};">
<div class="line"><a id="l00043" name="l00043"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_canonical_composition.html"> 43</a></span> <span class="keyword">struct </span><a class="code hl_struct" href="structfourdst_1_1composition_1_1_canonical_composition.html">CanonicalComposition</a> {</div>
<div class="line"><a id="l00044" name="l00044"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_canonical_composition.html#abe5b01574242f8eaabd00c3d653291f7"> 44</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>
<div class="line"><a id="l00045" name="l00045"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_canonical_composition.html#a93927bfccc5d2b3906565d092ed4f7f4"> 45</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>
<div class="line"><a id="l00046" name="l00046"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_canonical_composition.html#ae1981f5ddd36abd17a4a69fa1f43de18"> 46</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>
<div class="line"><a id="l00047" name="l00047"></a><span class="lineno"> 47</span></div>
<div class="foldopen" id="foldopen00054" data-start="{" data-end="}">
<div class="line"><a id="l00054" name="l00054"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_canonical_composition.html#a6e447cb601af6bcbd09e290aef759672"> 54</a></span> <span class="keyword">friend</span> std::ostream&amp; <a class="code hl_friend" href="structfourdst_1_1composition_1_1_canonical_composition.html#a6e447cb601af6bcbd09e290aef759672">operator&lt;&lt;</a>(std::ostream&amp; os, <span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1composition_1_1_canonical_composition.html">CanonicalComposition</a>&amp; <a class="code hl_namespace" href="namespacefourdst_1_1composition.html">composition</a>) {</div>
<div class="line"><a id="l00055" name="l00055"></a><span class="lineno"> 55</span> os &lt;&lt; <span class="stringliteral">&quot;&lt;CanonicalComposition: &quot;</span></div>
<div class="line"><a id="l00056" name="l00056"></a><span class="lineno"> 56</span> &lt;&lt; <span class="stringliteral">&quot;X = &quot;</span> &lt;&lt; <a class="code hl_namespace" href="namespacefourdst_1_1composition.html">composition</a>.X &lt;&lt; <span class="stringliteral">&quot;, &quot;</span></div>
<div class="line"><a id="l00057" name="l00057"></a><span class="lineno"> 57</span> &lt;&lt; <span class="stringliteral">&quot;Y = &quot;</span> &lt;&lt; <a class="code hl_namespace" href="namespacefourdst_1_1composition.html">composition</a>.Y &lt;&lt; <span class="stringliteral">&quot;, &quot;</span></div>
<div class="line"><a id="l00058" name="l00058"></a><span class="lineno"> 58</span> &lt;&lt; <span class="stringliteral">&quot;Z = &quot;</span> &lt;&lt; <a class="code hl_namespace" href="namespacefourdst_1_1composition.html">composition</a>.Z &lt;&lt; <span class="stringliteral">&quot;&gt;&quot;</span>;</div>
<div class="line"><a id="l00059" name="l00059"></a><span class="lineno"> 59</span> <span class="keywordflow">return</span> os;</div>
<div class="line"><a id="l00060" name="l00060"></a><span class="lineno"> 60</span> }</div>
</div>
<div class="line"><a id="l00061" name="l00061"></a><span class="lineno"> 61</span> };</div>
</div>
<div class="line"><a id="l00062" name="l00062"></a><span class="lineno"> 62</span></div>
<div class="foldopen" id="foldopen00069" data-start="{" data-end="};">
<div class="line"><a id="l00069" name="l00069"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_global_composition.html"> 69</a></span> <span class="keyword">struct </span><a class="code hl_struct" href="structfourdst_1_1composition_1_1_global_composition.html">GlobalComposition</a> {</div>
<div class="line"><a id="l00070" name="l00070"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_global_composition.html#a0df6ecfe28d13cbffd0abcbfec9aee41"> 70</a></span> <span class="keywordtype">double</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_global_composition.html#a0df6ecfe28d13cbffd0abcbfec9aee41">specificNumberDensity</a>; </div>
<div class="line"><a id="l00071" name="l00071"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_global_composition.html#a9c35810d965841a755da9ce4644a2f1b"> 71</a></span> <span class="keywordtype">double</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_global_composition.html#a9c35810d965841a755da9ce4644a2f1b">meanParticleMass</a>; </div>
<div class="line"><a id="l00072" name="l00072"></a><span class="lineno"> 72</span> </div>
<div class="line"><a id="l00073" name="l00073"></a><span class="lineno"> 73</span> <span class="comment">// Overload the output stream operator for GlobalComposition</span></div>
<div class="line"><a id="l00074" name="l00074"></a><span class="lineno"> 74</span> <span class="keyword">friend</span> std::ostream&amp; <a class="code hl_friend" href="structfourdst_1_1composition_1_1_global_composition.html#a3c072a749c3648607771ac9105181f26">operator&lt;&lt;</a>(std::ostream&amp; os, <span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1composition_1_1_global_composition.html">GlobalComposition</a>&amp; comp);</div>
<div class="line"><a id="l00075" name="l00075"></a><span class="lineno"> 75</span> };</div>
</div>
<div class="line"><a id="l00076" name="l00076"></a><span class="lineno"> 76</span></div>
<div class="foldopen" id="foldopen00083" data-start="{" data-end="};">
<div class="line"><a id="l00083" name="l00083"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_entry.html"> 83</a></span> <span class="keyword">struct </span><a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a1cccb94c150dd1dcde860f55fbeaf2bd">CompositionEntry</a> {</div>
<div class="line"><a id="l00084" name="l00084"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_entry.html#ac273debdba6a1b3ac0f11698c399d38e"> 84</a></span> std::string <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_entry.html#ac273debdba6a1b3ac0f11698c399d38e">m_symbol</a>; </div>
<div class="line"><a id="l00085" name="l00085"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_entry.html#a79039cbdc76b4401eb2ce44b85467503"> 85</a></span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">atomic::Species</a> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_entry.html#a79039cbdc76b4401eb2ce44b85467503">m_isotope</a>; </div>
<div class="line"><a id="l00086" name="l00086"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_entry.html#a1e860519bea86793413ed67c76d18c8b"> 86</a></span> <span class="keywordtype">bool</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_entry.html#a1e860519bea86793413ed67c76d18c8b">m_massFracMode</a> = <span class="keyword">true</span>; </div>
<div class="line"><a id="l00087" name="l00087"></a><span class="lineno"> 87</span> </div>
<div class="line"><a id="l00088" name="l00088"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_entry.html#adc20165bf94e18eea3458003025579ac"> 88</a></span> <span class="keywordtype">double</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_entry.html#adc20165bf94e18eea3458003025579ac">m_massFraction</a> = 0.0; </div>
<div class="line"><a id="l00089" name="l00089"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_entry.html#a2b5e245f7dabb11076efdbe1ed516d9f"> 89</a></span> <span class="keywordtype">double</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_entry.html#a2b5e245f7dabb11076efdbe1ed516d9f">m_numberFraction</a> = 0.0; </div>
<div class="line"><a id="l00090" name="l00090"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_entry.html#a0498d707d8ea78be39283786c10657ef"> 90</a></span> <span class="keywordtype">double</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_entry.html#a0498d707d8ea78be39283786c10657ef">m_relAbundance</a> = 0.0; </div>
<div class="line"><a id="l00091" name="l00091"></a><span class="lineno"> 91</span> </div>
<div class="line"><a id="l00092" name="l00092"></a><span class="lineno"><a class="line" href="structfourdst_1_1composition_1_1_composition_entry.html#a391e899874cd7ef299a3ae1f64c016d2"> 92</a></span> <span class="keywordtype">bool</span> <a class="code hl_variable" href="structfourdst_1_1composition_1_1_composition_entry.html#a391e899874cd7ef299a3ae1f64c016d2">m_initialized</a> = <span class="keyword">false</span>; </div>
<div class="line"><a id="l00093" name="l00093"></a><span class="lineno"> 93</span></div>
<div class="line"><a id="l00097" name="l00097"></a><span class="lineno"> 97</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a1cccb94c150dd1dcde860f55fbeaf2bd">CompositionEntry</a>();</div>
<div class="line"><a id="l00098" name="l00098"></a><span class="lineno"> 98</span></div>
<div class="line"><a id="l00110" name="l00110"></a><span class="lineno"> 110</span> <span class="keyword">explicit</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a1cccb94c150dd1dcde860f55fbeaf2bd">CompositionEntry</a>(<span class="keyword">const</span> std::string&amp; <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a50d18b4c27611fa9314dd756af54c2f0">symbol</a>, <span class="keywordtype">bool</span> massFracMode=<span class="keyword">true</span>);</div>
<div class="line"><a id="l00111" name="l00111"></a><span class="lineno"> 111</span></div>
<div class="line"><a id="l00116" name="l00116"></a><span class="lineno"> 116</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a1cccb94c150dd1dcde860f55fbeaf2bd">CompositionEntry</a>(<span class="keyword">const</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a1cccb94c150dd1dcde860f55fbeaf2bd">CompositionEntry</a>&amp; entry);</div>
<div class="line"><a id="l00117" name="l00117"></a><span class="lineno"> 117</span></div>
<div class="line"><a id="l00124" name="l00124"></a><span class="lineno"> 124</span> <span class="keywordtype">void</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a5885a0e33687bceb15b225a00163e9d3">setSpecies</a>(<span class="keyword">const</span> std::string&amp; <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a50d18b4c27611fa9314dd756af54c2f0">symbol</a>);</div>
<div class="line"><a id="l00125" name="l00125"></a><span class="lineno"> 125</span></div>
<div class="line"><a id="l00130" name="l00130"></a><span class="lineno"> 130</span> [[nodiscard]] std::string <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a50d18b4c27611fa9314dd756af54c2f0">symbol</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00131" name="l00131"></a><span class="lineno"> 131</span></div>
<div class="line"><a id="l00138" name="l00138"></a><span class="lineno"> 138</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a66cb086719d7f654869bd7b0cee87ffc">mass_fraction</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00139" name="l00139"></a><span class="lineno"> 139</span></div>
<div class="line"><a id="l00145" name="l00145"></a><span class="lineno"> 145</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a66cb086719d7f654869bd7b0cee87ffc">mass_fraction</a>(<span class="keywordtype">double</span> meanMolarMass) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00146" name="l00146"></a><span class="lineno"> 146</span></div>
<div class="line"><a id="l00153" name="l00153"></a><span class="lineno"> 153</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a2d55492d285068d4a64db5602dfb1c78">number_fraction</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00154" name="l00154"></a><span class="lineno"> 154</span></div>
<div class="line"><a id="l00160" name="l00160"></a><span class="lineno"> 160</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a2d55492d285068d4a64db5602dfb1c78">number_fraction</a>(<span class="keywordtype">double</span> totalMoles) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00161" name="l00161"></a><span class="lineno"> 161</span></div>
<div class="line"><a id="l00166" name="l00166"></a><span class="lineno"> 166</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#ab6619d23e111905d1e3ab16ee822d96c">rel_abundance</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00167" name="l00167"></a><span class="lineno"> 167</span></div>
<div class="line"><a id="l00172" name="l00172"></a><span class="lineno"> 172</span> [[nodiscard]] <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">atomic::Species</a> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#af4f8d292d18755670a914072e2260dfb">isotope</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00173" name="l00173"></a><span class="lineno"> 173</span></div>
<div class="line"><a id="l00178" name="l00178"></a><span class="lineno"> 178</span> [[nodiscard]] <span class="keywordtype">bool</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a14f12b8b0178df2e32e2023bd4564ddc">getMassFracMode</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00179" name="l00179"></a><span class="lineno"> 179</span></div>
<div class="line"><a id="l00186" name="l00186"></a><span class="lineno"> 186</span> <span class="keywordtype">void</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a4d6df43e098e7e2e2d94ff7fb76cb4c2">setMassFraction</a>(<span class="keywordtype">double</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a66cb086719d7f654869bd7b0cee87ffc">mass_fraction</a>);</div>
<div class="line"><a id="l00187" name="l00187"></a><span class="lineno"> 187</span></div>
<div class="line"><a id="l00194" name="l00194"></a><span class="lineno"> 194</span> <span class="keywordtype">void</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a9ec47cf4b3399128d3836c1b24b031b0">setNumberFraction</a>(<span class="keywordtype">double</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a2d55492d285068d4a64db5602dfb1c78">number_fraction</a>);</div>
<div class="line"><a id="l00195" name="l00195"></a><span class="lineno"> 195</span></div>
<div class="line"><a id="l00201" name="l00201"></a><span class="lineno"> 201</span> <span class="keywordtype">bool</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a3fb3f63a4e5675c6fefb662a8e3e7aa3">setMassFracMode</a>(<span class="keywordtype">double</span> meanMolarMass);</div>
<div class="line"><a id="l00202" name="l00202"></a><span class="lineno"> 202</span></div>
<div class="line"><a id="l00208" name="l00208"></a><span class="lineno"> 208</span> <span class="keywordtype">bool</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a743042d1998875851150d789817f5473">setNumberFracMode</a>(<span class="keywordtype">double</span> totalMoles);</div>
<div class="line"><a id="l00209" name="l00209"></a><span class="lineno"> 209</span></div>
<div class="line"><a id="l00216" name="l00216"></a><span class="lineno"> 216</span> <span class="keyword">friend</span> std::ostream&amp; <a class="code hl_friend" href="structfourdst_1_1composition_1_1_composition_entry.html#ae7a6a113fc5914248eff5629716d6eb2">operator&lt;&lt;</a>(std::ostream&amp; os, <span class="keyword">const</span> <a class="code hl_function" href="structfourdst_1_1composition_1_1_composition_entry.html#a1cccb94c150dd1dcde860f55fbeaf2bd">CompositionEntry</a>&amp; entry);</div>
<div class="line"><a id="l00217" name="l00217"></a><span class="lineno"> 217</span> };</div>
</div>
<div class="line"><a id="l00218" name="l00218"></a><span class="lineno"> 218</span></div>
<div class="foldopen" id="foldopen00258" data-start="{" data-end="};">
<div class="line"><a id="l00258" name="l00258"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html"> 258</a></span> <span class="keyword">class </span><a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a> {</div>
<div class="line"><a id="l00259" name="l00259"></a><span class="lineno"> 259</span> <span class="keyword">private</span>:</div>
<div class="line"><a id="l00260" name="l00260"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#a8a8096863464338bc6e3c5124407dca4"> 260</a></span> fourdst::config::Config&amp; <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#a8a8096863464338bc6e3c5124407dca4">m_config</a> = fourdst::config::Config::getInstance();</div>
<div class="line"><a id="l00261" name="l00261"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#a695d37ec6cde63d86a20df1e9f26af19"> 261</a></span> fourdst::logging::LogManager&amp; <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#a695d37ec6cde63d86a20df1e9f26af19">m_logManager</a> = fourdst::logging::LogManager::getInstance();</div>
<div class="line"><a id="l00262" name="l00262"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#ab6c66f35e1fb05dd24aacaf90e115c5e"> 262</a></span> quill::Logger* <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#ab6c66f35e1fb05dd24aacaf90e115c5e">m_logger</a> = <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#a695d37ec6cde63d86a20df1e9f26af19">m_logManager</a>.getLogger(<span class="stringliteral">&quot;log&quot;</span>);</div>
<div class="line"><a id="l00263" name="l00263"></a><span class="lineno"> 263</span> </div>
<div class="line"><a id="l00264" name="l00264"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#aa00cbc0933d8a22bb900ac21a338e5ac"> 264</a></span> <span class="keywordtype">bool</span> <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#aa00cbc0933d8a22bb900ac21a338e5ac">m_finalized</a> = <span class="keyword">false</span>; </div>
<div class="line"><a id="l00265" name="l00265"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#addae4484da7d5072ab66a721dbe04ced"> 265</a></span> <span class="keywordtype">double</span> <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#addae4484da7d5072ab66a721dbe04ced">m_specificNumberDensity</a> = 0.0; </div>
<div class="line"><a id="l00266" name="l00266"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#a4a36c8d22ce61023e7bea1d9417577d4"> 266</a></span> <span class="keywordtype">double</span> <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#a4a36c8d22ce61023e7bea1d9417577d4">m_meanParticleMass</a> = 0.0; </div>
<div class="line"><a id="l00267" name="l00267"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#a671f1ee8be00f4ff8c1d94fabb382380"> 267</a></span> <span class="keywordtype">bool</span> <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#a671f1ee8be00f4ff8c1d94fabb382380">m_massFracMode</a> = <span class="keyword">true</span>; </div>
<div class="line"><a id="l00268" name="l00268"></a><span class="lineno"> 268</span> </div>
<div class="line"><a id="l00269" name="l00269"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#a39bfcb7d81d723cbd9d021abd533b4d6"> 269</a></span> std::set&lt;std::string&gt; <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#a39bfcb7d81d723cbd9d021abd533b4d6">m_registeredSymbols</a>; </div>
<div class="line"><a id="l00270" name="l00270"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#aa7f2753b10e85ae3bbf0c3d600a973db"> 270</a></span> std::unordered_map&lt;std::string, CompositionEntry&gt; <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#aa7f2753b10e85ae3bbf0c3d600a973db">m_compositions</a>; </div>
<div class="line"><a id="l00271" name="l00271"></a><span class="lineno"> 271</span></div>
<div class="line"><a id="l00277" name="l00277"></a><span class="lineno"> 277</span> <span class="keyword">static</span> <span class="keywordtype">bool</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a8fdac26e6298008aaeaa5b15f7fe244f">isValidSymbol</a>(<span class="keyword">const</span> std::string&amp; symbol);</div>
<div class="line"><a id="l00278" name="l00278"></a><span class="lineno"> 278</span></div>
<div class="line"><a id="l00284" name="l00284"></a><span class="lineno"> 284</span> [[nodiscard]] <span class="keywordtype">bool</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#addf03ba8b988970d341884d487aa94d5">isValidComposition</a>(<span class="keyword">const</span> std::vector&lt;double&gt;&amp; fractions) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00285" name="l00285"></a><span class="lineno"> 285</span></div>
<div class="line"><a id="l00291" name="l00291"></a><span class="lineno"> 291</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a86982685c34db4a8f079ddafc25c594e">validateComposition</a>(<span class="keyword">const</span> std::vector&lt;double&gt;&amp; fractions) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00292" name="l00292"></a><span class="lineno"> 292</span></div>
<div class="line"><a id="l00298" name="l00298"></a><span class="lineno"> 298</span> <span class="keywordtype">bool</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a869dbae3db9d09c57b2df56a813a55fb">finalizeMassFracMode</a>(<span class="keywordtype">bool</span> norm);</div>
<div class="line"><a id="l00299" name="l00299"></a><span class="lineno"> 299</span></div>
<div class="line"><a id="l00305" name="l00305"></a><span class="lineno"> 305</span> <span class="keywordtype">bool</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a461ab4e9cb5975cf865db5f16f03ddfe">finalizeNumberFracMode</a>(<span class="keywordtype">bool</span> norm);</div>
<div class="line"><a id="l00306" name="l00306"></a><span class="lineno"> 306</span> </div>
<div class="line"><a id="l00307" name="l00307"></a><span class="lineno"> 307</span> <span class="keyword">public</span>:</div>
<div class="line"><a id="l00311" name="l00311"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88"> 311</a></span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>() = <span class="keywordflow">default</span>;</div>
<div class="line"><a id="l00312" name="l00312"></a><span class="lineno"> 312</span></div>
<div class="line"><a id="l00316" name="l00316"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#aa3ff8ece122a9fad1252061148566749"> 316</a></span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#aa3ff8ece122a9fad1252061148566749">~Composition</a>() = <span class="keywordflow">default</span>;</div>
<div class="line"><a id="l00317" name="l00317"></a><span class="lineno"> 317</span></div>
<div class="line"><a id="l00327" name="l00327"></a><span class="lineno"> 327</span> <span class="keywordtype">bool</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a72d063a74a9d2197065884a2cea57a14">finalize</a>(<span class="keywordtype">bool</span> norm=<span class="keyword">false</span>);</div>
<div class="line"><a id="l00328" name="l00328"></a><span class="lineno"> 328</span></div>
<div class="line"><a id="l00342" name="l00342"></a><span class="lineno"> 342</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&lt;std::string&gt;&amp; symbols);</div>
<div class="line"><a id="l00343" name="l00343"></a><span class="lineno"> 343</span></div>
<div class="line"><a id="l00354" name="l00354"></a><span class="lineno"> 354</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&lt;std::string&gt;&amp; symbols);</div>
<div class="line"><a id="l00355" name="l00355"></a><span class="lineno"> 355</span></div>
<div class="line"><a id="l00373" name="l00373"></a><span class="lineno"> 373</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>(<span class="keyword">const</span> std::vector&lt;std::string&gt;&amp; symbols, <span class="keyword">const</span> std::vector&lt;double&gt;&amp; fractions, <span class="keywordtype">bool</span> massFracMode=<span class="keyword">true</span>);</div>
<div class="line"><a id="l00374" name="l00374"></a><span class="lineno"> 374</span></div>
<div class="line"><a id="l00379" name="l00379"></a><span class="lineno"> 379</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>&amp; <a class="code hl_namespace" href="namespacefourdst_1_1composition.html">composition</a>);</div>
<div class="line"><a id="l00380" name="l00380"></a><span class="lineno"> 380</span></div>
<div class="line"><a id="l00386" name="l00386"></a><span class="lineno"> 386</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>&amp; <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>&amp; other);</div>
<div class="line"><a id="l00387" name="l00387"></a><span class="lineno"> 387</span></div>
<div class="line"><a id="l00402" name="l00402"></a><span class="lineno"> 402</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a1bc2e64f87c12befdc2bc767e7405661">registerSymbol</a>(<span class="keyword">const</span> std::string&amp; symbol, <span class="keywordtype">bool</span> massFracMode=<span class="keyword">true</span>);</div>
<div class="line"><a id="l00403" name="l00403"></a><span class="lineno"> 403</span></div>
<div class="line"><a id="l00417" name="l00417"></a><span class="lineno"> 417</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a1bc2e64f87c12befdc2bc767e7405661">registerSymbol</a>(<span class="keyword">const</span> std::vector&lt;std::string&gt;&amp; symbols, <span class="keywordtype">bool</span> massFracMode=<span class="keyword">true</span>);</div>
<div class="line"><a id="l00418" name="l00418"></a><span class="lineno"> 418</span></div>
<div class="line"><a id="l00432" name="l00432"></a><span class="lineno"> 432</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a4ce00f73cc133bb1bac2b030b93ab480">registerSpecies</a>(<span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a>&amp; species, <span class="keywordtype">bool</span> massFracMode=<span class="keyword">true</span>);</div>
<div class="line"><a id="l00433" name="l00433"></a><span class="lineno"> 433</span> </div>
<div class="line"><a id="l00434" name="l00434"></a><span class="lineno"> 434</span></div>
<div class="line"><a id="l00449" name="l00449"></a><span class="lineno"> 449</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a4ce00f73cc133bb1bac2b030b93ab480">registerSpecies</a>(<span class="keyword">const</span> std::vector&lt;fourdst::atomic::Species&gt;&amp; species, <span class="keywordtype">bool</span> massFracMode=<span class="keyword">true</span>);</div>
<div class="line"><a id="l00450" name="l00450"></a><span class="lineno"> 450</span> </div>
<div class="line"><a id="l00451" name="l00451"></a><span class="lineno"> 451</span></div>
<div class="line"><a id="l00456" name="l00456"></a><span class="lineno"> 456</span> [[nodiscard]] std::set&lt;std::string&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a84c7b72c2aee46b94492d404855dd3e0">getRegisteredSymbols</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00457" name="l00457"></a><span class="lineno"> 457</span></div>
<div class="line"><a id="l00462" name="l00462"></a><span class="lineno"> 462</span> [[nodiscard]] std::set&lt;fourdst::atomic::Species&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a3dee7b5e1f54920de9eab99f95a516ec">getRegisteredSpecies</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00463" name="l00463"></a><span class="lineno"> 463</span></div>
<div class="line"><a id="l00480" name="l00480"></a><span class="lineno"> 480</span> <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a493224656aa3ade68389250720ef09af">setMassFraction</a>(<span class="keyword">const</span> std::string&amp; symbol, <span class="keyword">const</span> <span class="keywordtype">double</span>&amp; mass_fraction);</div>
<div class="line"><a id="l00481" name="l00481"></a><span class="lineno"> 481</span></div>
<div class="line"><a id="l00491" name="l00491"></a><span class="lineno"> 491</span> std::vector&lt;double&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a493224656aa3ade68389250720ef09af">setMassFraction</a>(<span class="keyword">const</span> std::vector&lt;std::string&gt;&amp; symbols, <span class="keyword">const</span> std::vector&lt;double&gt;&amp; mass_fractions);</div>
<div class="line"><a id="l00492" name="l00492"></a><span class="lineno"> 492</span></div>
<div class="line"><a id="l00502" name="l00502"></a><span class="lineno"> 502</span> <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a493224656aa3ade68389250720ef09af">setMassFraction</a>(<span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a>&amp; species, <span class="keyword">const</span> <span class="keywordtype">double</span>&amp; mass_fraction);</div>
<div class="line"><a id="l00503" name="l00503"></a><span class="lineno"> 503</span></div>
<div class="line"><a id="l00511" name="l00511"></a><span class="lineno"> 511</span> std::vector&lt;double&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a493224656aa3ade68389250720ef09af">setMassFraction</a>(<span class="keyword">const</span> std::vector&lt;fourdst::atomic::Species&gt;&amp; species, <span class="keyword">const</span> std::vector&lt;double&gt;&amp; mass_fractions);</div>
<div class="line"><a id="l00512" name="l00512"></a><span class="lineno"> 512</span></div>
<div class="line"><a id="l00523" name="l00523"></a><span class="lineno"> 523</span> <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a7d4d748f3ee25e68751fb143717ed080">setNumberFraction</a>(<span class="keyword">const</span> std::string&amp; symbol, <span class="keyword">const</span> <span class="keywordtype">double</span>&amp; number_fraction);</div>
<div class="line"><a id="l00524" name="l00524"></a><span class="lineno"> 524</span></div>
<div class="line"><a id="l00533" name="l00533"></a><span class="lineno"> 533</span> std::vector&lt;double&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a7d4d748f3ee25e68751fb143717ed080">setNumberFraction</a>(<span class="keyword">const</span> std::vector&lt;std::string&gt;&amp; symbols, <span class="keyword">const</span> std::vector&lt;double&gt;&amp; number_fractions);</div>
<div class="line"><a id="l00534" name="l00534"></a><span class="lineno"> 534</span></div>
<div class="line"><a id="l00544" name="l00544"></a><span class="lineno"> 544</span> <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a7d4d748f3ee25e68751fb143717ed080">setNumberFraction</a>(<span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a>&amp; species, <span class="keyword">const</span> <span class="keywordtype">double</span>&amp; number_fraction);</div>
<div class="line"><a id="l00545" name="l00545"></a><span class="lineno"> 545</span></div>
<div class="line"><a id="l00553" name="l00553"></a><span class="lineno"> 553</span> std::vector&lt;double&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a7d4d748f3ee25e68751fb143717ed080">setNumberFraction</a>(<span class="keyword">const</span> std::vector&lt;fourdst::atomic::Species&gt;&amp; species, <span class="keyword">const</span> std::vector&lt;double&gt;&amp; number_fractions);</div>
<div class="line"><a id="l00554" name="l00554"></a><span class="lineno"> 554</span></div>
<div class="line"><a id="l00567" name="l00567"></a><span class="lineno"> 567</span> [[nodiscard]] <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#a3aead72892606725a4149a5f65bd31ec">mix</a>(<span class="keyword">const</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>&amp; other, <span class="keywordtype">double</span> fraction) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00568" name="l00568"></a><span class="lineno"> 568</span></div>
<div class="line"><a id="l00575" name="l00575"></a><span class="lineno"> 575</span> [[nodiscard]] std::unordered_map&lt;std::string, double&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#ad20bd541dd7c45274a2e586e6a0519a7">getMassFraction</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00576" name="l00576"></a><span class="lineno"> 576</span></div>
<div class="line"><a id="l00585" name="l00585"></a><span class="lineno"> 585</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#ad20bd541dd7c45274a2e586e6a0519a7">getMassFraction</a>(<span class="keyword">const</span> std::string&amp; symbol) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00586" name="l00586"></a><span class="lineno"> 586</span></div>
<div class="line"><a id="l00595" name="l00595"></a><span class="lineno"> 595</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#ad20bd541dd7c45274a2e586e6a0519a7">getMassFraction</a>(<span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a>&amp; species) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00596" name="l00596"></a><span class="lineno"> 596</span></div>
<div class="line"><a id="l00605" name="l00605"></a><span class="lineno"> 605</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a7731df9b30f8c8f13231f7e1a17b105c">getNumberFraction</a>(<span class="keyword">const</span> std::string&amp; symbol) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00606" name="l00606"></a><span class="lineno"> 606</span></div>
<div class="line"><a id="l00615" name="l00615"></a><span class="lineno"> 615</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a7731df9b30f8c8f13231f7e1a17b105c">getNumberFraction</a>(<span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a>&amp; species) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00616" name="l00616"></a><span class="lineno"> 616</span></div>
<div class="line"><a id="l00623" name="l00623"></a><span class="lineno"> 623</span> [[nodiscard]] std::unordered_map&lt;std::string, double&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a7731df9b30f8c8f13231f7e1a17b105c">getNumberFraction</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00624" name="l00624"></a><span class="lineno"> 624</span></div>
<div class="line"><a id="l00633" name="l00633"></a><span class="lineno"> 633</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a67a2ed844f3aee3d9cc1a3cb996eb56f">getMolarAbundance</a>(<span class="keyword">const</span> std::string&amp; symbol) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00634" name="l00634"></a><span class="lineno"> 634</span></div>
<div class="line"><a id="l00643" name="l00643"></a><span class="lineno"> 643</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a67a2ed844f3aee3d9cc1a3cb996eb56f">getMolarAbundance</a>(<span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a>&amp; species) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00644" name="l00644"></a><span class="lineno"> 644</span></div>
<div class="line"><a id="l00653" name="l00653"></a><span class="lineno"> 653</span> [[nodiscard]] std::pair&lt;CompositionEntry, GlobalComposition&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a1138c86f7ccd39594601c2ec63ad89e9">getComposition</a>(<span class="keyword">const</span> std::string&amp; symbol) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00654" name="l00654"></a><span class="lineno"> 654</span></div>
<div class="line"><a id="l00663" name="l00663"></a><span class="lineno"> 663</span> [[nodiscard]] std::pair&lt;CompositionEntry, GlobalComposition&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a1138c86f7ccd39594601c2ec63ad89e9">getComposition</a>(<span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a>&amp; species) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00664" name="l00664"></a><span class="lineno"> 664</span></div>
<div class="line"><a id="l00671" name="l00671"></a><span class="lineno"> 671</span> [[nodiscard]] std::pair&lt;std::unordered_map&lt;std::string, CompositionEntry&gt;, <a class="code hl_struct" href="structfourdst_1_1composition_1_1_global_composition.html">GlobalComposition</a>&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a1138c86f7ccd39594601c2ec63ad89e9">getComposition</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00672" name="l00672"></a><span class="lineno"> 672</span></div>
<div class="line"><a id="l00679" name="l00679"></a><span class="lineno"> 679</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a66401fed7054172e9b1a2687e5cc8eff">getMeanParticleMass</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00680" name="l00680"></a><span class="lineno"> 680</span></div>
<div class="line"><a id="l00687" name="l00687"></a><span class="lineno"> 687</span> [[nodiscard]] <span class="keywordtype">double</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a98199f435cb553f5cf4f8e520fdb8a7a">getMeanAtomicNumber</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00688" name="l00688"></a><span class="lineno"> 688</span></div>
<div class="line"><a id="l00698" name="l00698"></a><span class="lineno"> 698</span> [[nodiscard]] <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#a17635cd21744c7cf86cb1eb75152c816">subset</a>(<span class="keyword">const</span> std::vector&lt;std::string&gt;&amp; symbols, <span class="keyword">const</span> std::string&amp; method=<span class="stringliteral">&quot;norm&quot;</span>) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00699" name="l00699"></a><span class="lineno"> 699</span></div>
<div class="line"><a id="l00705" name="l00705"></a><span class="lineno"> 705</span> [[nodiscard]] <span class="keywordtype">bool</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a72a368f27094b03fdd9896844e075c94">hasSymbol</a>(<span class="keyword">const</span> std::string&amp; symbol) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00706" name="l00706"></a><span class="lineno"> 706</span></div>
<div class="line"><a id="l00714" name="l00714"></a><span class="lineno"> 714</span> [[nodiscard]] <span class="keywordtype">bool</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#acb08478f7032ecc13cb02283a18187e9">contains</a>(<span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a>&amp; isotope) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00715" name="l00715"></a><span class="lineno"> 715</span></div>
<div class="line"><a id="l00724" name="l00724"></a><span class="lineno"> 724</span> <span class="keywordtype">void</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a0af981ed1074b26c237cf6cf35f82c9e">setCompositionMode</a>(<span class="keywordtype">bool</span> massFracMode);</div>
<div class="line"><a id="l00725" name="l00725"></a><span class="lineno"> 725</span></div>
<div class="line"><a id="l00735" name="l00735"></a><span class="lineno"> 735</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#ac75dbc8377556c835455991c7c7fe206">getCanonicalComposition</a>(<span class="keywordtype">bool</span> harsh=<span class="keyword">false</span>) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00736" name="l00736"></a><span class="lineno"> 736</span></div>
docs(docs): rebuilt docs for version 1.7.0
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<div class="line"><a id="l00744" name="l00744"></a><span class="lineno"> 744</span> [[nodiscard]] std::vector&lt;double&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#acdbdf980297580e885ce3f124164315f">getMassFractionVector</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00745" name="l00745"></a><span class="lineno"> 745</span></div>
<div class="line"><a id="l00753" name="l00753"></a><span class="lineno"> 753</span> [[nodiscard]] std::vector&lt;double&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a2a41242de5d49b005e0b608e79e2f2d9">getNumberFractionVector</a>() <span class="keyword">const</span>;</div>
docs(docs): added robust docs
2025-07-24 09:35:52 -04:00
<div class="line"><a id="l00754" name="l00754"></a><span class="lineno"> 754</span></div>
docs(docs): rebuilt docs for version 1.7.0
2025-09-16 11:24:28 -04:00
<div class="line"><a id="l00762" name="l00762"></a><span class="lineno"> 762</span> [[nodiscard]] std::vector&lt;double&gt; <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a84d62b971bee83d944d2792c6850bc0b">getMolarAbundanceVector</a>() <span class="keyword">const</span>;</div>
<div class="line"><a id="l00763" name="l00763"></a><span class="lineno"> 763</span></div>
<div class="line"><a id="l00774" name="l00774"></a><span class="lineno"> 774</span> [[nodiscard]] <span class="keywordtype">size_t</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a1204a6421205feaaed13937aefa158ba">getSpeciesIndex</a>(<span class="keyword">const</span> std::string&amp; symbol) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00775" name="l00775"></a><span class="lineno"> 775</span></div>
<div class="line"><a id="l00786" name="l00786"></a><span class="lineno"> 786</span> [[nodiscard]] <span class="keywordtype">size_t</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a1204a6421205feaaed13937aefa158ba">getSpeciesIndex</a>(<span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">atomic::Species</a>&amp; species) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00787" name="l00787"></a><span class="lineno"> 787</span></div>
<div class="line"><a id="l00797" name="l00797"></a><span class="lineno"> 797</span> [[nodiscard]] <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">atomic::Species</a> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#aa534a01f24074cc9edd7f41df228eb50">getSpeciesAtIndex</a>(<span class="keywordtype">size_t</span> index) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00798" name="l00798"></a><span class="lineno"> 798</span></div>
<div class="line"><a id="l00805" name="l00805"></a><span class="lineno"> 805</span> <span class="keyword">friend</span> std::ostream&amp; <a class="code hl_friend" href="classfourdst_1_1composition_1_1_composition.html#a36c2525d21cd932065bb2bb30bc57fb4">operator&lt;&lt;</a>(std::ostream&amp; os, <span class="keyword">const</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>&amp; <a class="code hl_namespace" href="namespacefourdst_1_1composition.html">composition</a>);</div>
<div class="line"><a id="l00806" name="l00806"></a><span class="lineno"> 806</span></div>
<div class="line"><a id="l00815" name="l00815"></a><span class="lineno"> 815</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#a24a3bdeb8e8e55b54ecdee6dcb0d9561">operator+</a>(<span class="keyword">const</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#a23b83b76ee025f6fc009184ee19bba88">Composition</a>&amp; other) <span class="keyword">const</span>;</div>
<div class="line"><a id="l00816" name="l00816"></a><span class="lineno"> 816</span></div>
<div class="foldopen" id="foldopen00821" data-start="{" data-end="}">
<div class="line"><a id="l00821" name="l00821"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#ab1701644ff1c83c220dc04eb58d1621b"> 821</a></span> <span class="keyword">auto</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#ab1701644ff1c83c220dc04eb58d1621b">begin</a>() {</div>
<div class="line"><a id="l00822" name="l00822"></a><span class="lineno"> 822</span> <span class="keywordflow">return</span> <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#aa7f2753b10e85ae3bbf0c3d600a973db">m_compositions</a>.begin();</div>
<div class="line"><a id="l00823" name="l00823"></a><span class="lineno"> 823</span> }</div>
docs(docs): added robust docs
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</div>
docs(docs): rebuilt docs for version 1.7.0
2025-09-16 11:24:28 -04:00
<div class="line"><a id="l00824" name="l00824"></a><span class="lineno"> 824</span></div>
<div class="foldopen" id="foldopen00829" data-start="{" data-end="}">
<div class="line"><a id="l00829" name="l00829"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#adf41a833e8b704daf4f581fca5c8cb9b"> 829</a></span> [[nodiscard]] <span class="keyword">auto</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#adf41a833e8b704daf4f581fca5c8cb9b">begin</a>()<span class="keyword"> const </span>{</div>
<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#aa7f2753b10e85ae3bbf0c3d600a973db">m_compositions</a>.cbegin();</div>
<div class="line"><a id="l00831" name="l00831"></a><span class="lineno"> 831</span> }</div>
docs(docs): added robust docs
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</div>
docs(docs): rebuilt docs for version 1.7.0
2025-09-16 11:24:28 -04:00
<div class="line"><a id="l00832" name="l00832"></a><span class="lineno"> 832</span></div>
<div class="foldopen" id="foldopen00837" data-start="{" data-end="}">
<div class="line"><a id="l00837" name="l00837"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#adeaf6f1213e78cb1fe8a8317f0a8adc2"> 837</a></span> <span class="keyword">auto</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#adeaf6f1213e78cb1fe8a8317f0a8adc2">end</a>() {</div>
<div class="line"><a id="l00838" name="l00838"></a><span class="lineno"> 838</span> <span class="keywordflow">return</span> <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#aa7f2753b10e85ae3bbf0c3d600a973db">m_compositions</a>.end();</div>
<div class="line"><a id="l00839" name="l00839"></a><span class="lineno"> 839</span> }</div>
docs(docs): added robust docs
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</div>
docs(docs): rebuilt docs for version 1.7.0
2025-09-16 11:24:28 -04:00
<div class="line"><a id="l00840" name="l00840"></a><span class="lineno"> 840</span></div>
<div class="foldopen" id="foldopen00845" data-start="{" data-end="}">
<div class="line"><a id="l00845" name="l00845"></a><span class="lineno"><a class="line" href="classfourdst_1_1composition_1_1_composition.html#aed2f5676f8f742199f01e4d1e9664bdd"> 845</a></span> [[nodiscard]] <span class="keyword">auto</span> <a class="code hl_function" href="classfourdst_1_1composition_1_1_composition.html#aed2f5676f8f742199f01e4d1e9664bdd">end</a>()<span class="keyword"> const </span>{</div>
<div class="line"><a id="l00846" name="l00846"></a><span class="lineno"> 846</span> <span class="keywordflow">return</span> <a class="code hl_variable" href="classfourdst_1_1composition_1_1_composition.html#aa7f2753b10e85ae3bbf0c3d600a973db">m_compositions</a>.cend();</div>
<div class="line"><a id="l00847" name="l00847"></a><span class="lineno"> 847</span> }</div>
docs(docs): added robust docs
2025-07-24 09:35:52 -04:00
</div>
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<div class="line"><a id="l00848" name="l00848"></a><span class="lineno"> 848</span> </div>
<div class="line"><a id="l00849" name="l00849"></a><span class="lineno"> 849</span> };</div>
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</div>
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<div class="line"><a id="l00850" name="l00850"></a><span class="lineno"> 850</span>}; <span class="comment">// namespace fourdst::composition</span></div>
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</div>
<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_html_a0af981ed1074b26c237cf6cf35f82c9e"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a0af981ed1074b26c237cf6cf35f82c9e">fourdst::composition::Composition::setCompositionMode</a></div><div class="ttdeci">void setCompositionMode(bool massFracMode)</div><div class="ttdoc">Sets the composition mode (mass fraction vs. number fraction).</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00694">composition.cpp:694</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a1138c86f7ccd39594601c2ec63ad89e9"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a1138c86f7ccd39594601c2ec63ad89e9">fourdst::composition::Composition::getComposition</a></div><div class="ttdeci">std::pair&lt; std::unordered_map&lt; std::string, CompositionEntry &gt;, GlobalComposition &gt; getComposition() const</div><div class="ttdoc">Gets all composition entries and the global composition data.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00630">composition.cpp:630</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a1204a6421205feaaed13937aefa158ba"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a1204a6421205feaaed13937aefa158ba">fourdst::composition::Composition::getSpeciesIndex</a></div><div class="ttdeci">size_t getSpeciesIndex(const std::string &amp;symbol) const</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#l00823">composition.cpp:823</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a17635cd21744c7cf86cb1eb75152c816"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a17635cd21744c7cf86cb1eb75152c816">fourdst::composition::Composition::subset</a></div><div class="ttdeci">Composition subset(const std::vector&lt; std::string &gt; &amp;symbols, const std::string &amp;method=&quot;norm&quot;) const</div><div class="ttdoc">Creates a new Composition object containing a subset of species from this one.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00665">composition.cpp:665</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a1bc2e64f87c12befdc2bc767e7405661"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a1bc2e64f87c12befdc2bc767e7405661">fourdst::composition::Composition::registerSymbol</a></div><div class="ttdeci">void registerSymbol(const std::string &amp;symbol, bool massFracMode=true)</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#l00233">composition.cpp:233</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_a24a3bdeb8e8e55b54ecdee6dcb0d9561"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a24a3bdeb8e8e55b54ecdee6dcb0d9561">fourdst::composition::Composition::operator+</a></div><div class="ttdeci">Composition operator+(const Composition &amp;other) const</div><div class="ttdoc">Overloads the + operator to mix two compositions with a 50/50 fraction.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00921">composition.cpp:921</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a2a41242de5d49b005e0b608e79e2f2d9"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a2a41242de5d49b005e0b608e79e2f2d9">fourdst::composition::Composition::getNumberFractionVector</a></div><div class="ttdeci">std::vector&lt; double &gt; getNumberFractionVector() const</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#l00783">composition.cpp:783</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a36c2525d21cd932065bb2bb30bc57fb4"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a36c2525d21cd932065bb2bb30bc57fb4">fourdst::composition::Composition::operator&lt;&lt;</a></div><div class="ttdeci">friend std::ostream &amp; operator&lt;&lt;(std::ostream &amp;os, const Composition &amp;composition)</div><div class="ttdoc">Overloaded output stream operator for Composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00937">composition.cpp:937</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a39bfcb7d81d723cbd9d021abd533b4d6"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a39bfcb7d81d723cbd9d021abd533b4d6">fourdst::composition::Composition::m_registeredSymbols</a></div><div class="ttdeci">std::set&lt; std::string &gt; m_registeredSymbols</div><div class="ttdoc">The registered symbols.</div><div class="ttdef"><b>Definition</b> <a href="#l00269">composition.h:269</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a3aead72892606725a4149a5f65bd31ec"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a3aead72892606725a4149a5f65bd31ec">fourdst::composition::Composition::mix</a></div><div class="ttdeci">Composition mix(const Composition &amp;other, double fraction) const</div><div class="ttdoc">Mixes this composition with another to produce a new composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00498">composition.cpp:498</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a3dee7b5e1f54920de9eab99f95a516ec"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a3dee7b5e1f54920de9eab99f95a516ec">fourdst::composition::Composition::getRegisteredSpecies</a></div><div class="ttdeci">std::set&lt; fourdst::atomic::Species &gt; getRegisteredSpecies() const</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#l00280">composition.cpp:280</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a461ab4e9cb5975cf865db5f16f03ddfe"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a461ab4e9cb5975cf865db5f16f03ddfe">fourdst::composition::Composition::finalizeNumberFracMode</a></div><div class="ttdeci">bool finalizeNumberFracMode(bool norm)</div><div class="ttdoc">Finalizes the composition in number fraction mode.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00464">composition.cpp:464</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a493224656aa3ade68389250720ef09af"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a493224656aa3ade68389250720ef09af">fourdst::composition::Composition::setMassFraction</a></div><div class="ttdeci">double setMassFraction(const std::string &amp;symbol, const double &amp;mass_fraction)</div><div class="ttdoc">Sets the mass fraction for a given symbol.</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_a4a36c8d22ce61023e7bea1d9417577d4"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a4a36c8d22ce61023e7bea1d9417577d4">fourdst::composition::Composition::m_meanParticleMass</a></div><div class="ttdeci">double m_meanParticleMass</div><div class="ttdoc">The mean particle mass of the composition (\sum_{i} \frac{n_i}{m_i}. where n_i is the number fraction...</div><div class="ttdef"><b>Definition</b> <a href="#l00266">composition.h:266</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a4ce00f73cc133bb1bac2b030b93ab480"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a4ce00f73cc133bb1bac2b030b93ab480">fourdst::composition::Composition::registerSpecies</a></div><div class="ttdeci">void registerSpecies(const fourdst::atomic::Species &amp;species, bool massFracMode=true)</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#l00266">composition.cpp:266</a></div></div>
<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 &amp; operator=(Composition const &amp;other)</div><div class="ttdoc">Assignment operator.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00219">composition.cpp:219</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a66401fed7054172e9b1a2687e5cc8eff"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a66401fed7054172e9b1a2687e5cc8eff">fourdst::composition::Composition::getMeanParticleMass</a></div><div class="ttdeci">double getMeanParticleMass() const</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#l00638">composition.cpp:638</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a671f1ee8be00f4ff8c1d94fabb382380"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a671f1ee8be00f4ff8c1d94fabb382380">fourdst::composition::Composition::m_massFracMode</a></div><div class="ttdeci">bool m_massFracMode</div><div class="ttdoc">True if mass fraction mode, false if number fraction mode.</div><div class="ttdef"><b>Definition</b> <a href="#l00267">composition.h:267</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a67a2ed844f3aee3d9cc1a3cb996eb56f"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a67a2ed844f3aee3d9cc1a3cb996eb56f">fourdst::composition::Composition::getMolarAbundance</a></div><div class="ttdeci">double getMolarAbundance(const std::string &amp;symbol) const</div><div class="ttdoc">Gets the molar abundance (X_i / A_i) for a given symbol.</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_a695d37ec6cde63d86a20df1e9f26af19"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a695d37ec6cde63d86a20df1e9f26af19">fourdst::composition::Composition::m_logManager</a></div><div class="ttdeci">fourdst::logging::LogManager &amp; m_logManager</div><div class="ttdef"><b>Definition</b> <a href="#l00261">composition.h:261</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a72a368f27094b03fdd9896844e075c94"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a72a368f27094b03fdd9896844e075c94">fourdst::composition::Composition::hasSymbol</a></div><div class="ttdeci">bool hasSymbol(const std::string &amp;symbol) const</div><div class="ttdoc">Checks if a symbol is registered in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00902">composition.cpp:902</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a72d063a74a9d2197065884a2cea57a14"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a72d063a74a9d2197065884a2cea57a14">fourdst::composition::Composition::finalize</a></div><div class="ttdeci">bool finalize(bool norm=false)</div><div class="ttdoc">Finalizes the composition, making it ready for querying.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00414">composition.cpp:414</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a7731df9b30f8c8f13231f7e1a17b105c"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a7731df9b30f8c8f13231f7e1a17b105c">fourdst::composition::Composition::getNumberFraction</a></div><div class="ttdeci">std::unordered_map&lt; std::string, double &gt; getNumberFraction() const</div><div class="ttdoc">Gets the number fractions of all species in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00588">composition.cpp:588</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a7d4d748f3ee25e68751fb143717ed080"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a7d4d748f3ee25e68751fb143717ed080">fourdst::composition::Composition::setNumberFraction</a></div><div class="ttdeci">double setNumberFraction(const std::string &amp;symbol, const double &amp;number_fraction)</div><div class="ttdoc">Sets the number fraction for a given symbol.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00363">composition.cpp:363</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a84c7b72c2aee46b94492d404855dd3e0"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a84c7b72c2aee46b94492d404855dd3e0">fourdst::composition::Composition::getRegisteredSymbols</a></div><div class="ttdeci">std::set&lt; std::string &gt; getRegisteredSymbols() const</div><div class="ttdoc">Gets the registered symbols.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00276">composition.cpp:276</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a84d62b971bee83d944d2792c6850bc0b"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a84d62b971bee83d944d2792c6850bc0b">fourdst::composition::Composition::getMolarAbundanceVector</a></div><div class="ttdeci">std::vector&lt; double &gt; getMolarAbundanceVector() const</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#l00803">composition.cpp:803</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a86982685c34db4a8f079ddafc25c594e"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a86982685c34db4a8f079ddafc25c594e">fourdst::composition::Composition::validateComposition</a></div><div class="ttdeci">void validateComposition(const std::vector&lt; double &gt; &amp;fractions) const</div><div class="ttdoc">Validates the given fractions, throwing an exception on failure.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00288">composition.cpp:288</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a869dbae3db9d09c57b2df56a813a55fb"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a869dbae3db9d09c57b2df56a813a55fb">fourdst::composition::Composition::finalizeMassFracMode</a></div><div class="ttdeci">bool finalizeMassFracMode(bool norm)</div><div class="ttdoc">Finalizes the composition in mass fraction mode.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00427">composition.cpp:427</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a8a8096863464338bc6e3c5124407dca4"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a8a8096863464338bc6e3c5124407dca4">fourdst::composition::Composition::m_config</a></div><div class="ttdeci">fourdst::config::Config &amp; m_config</div><div class="ttdef"><b>Definition</b> <a href="#l00260">composition.h:260</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a8fdac26e6298008aaeaa5b15f7fe244f"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a8fdac26e6298008aaeaa5b15f7fe244f">fourdst::composition::Composition::isValidSymbol</a></div><div class="ttdeci">static bool isValidSymbol(const std::string &amp;symbol)</div><div class="ttdoc">Checks if the given symbol is valid by checking against the global species database.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00308">composition.cpp:308</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a98199f435cb553f5cf4f8e520fdb8a7a"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#a98199f435cb553f5cf4f8e520fdb8a7a">fourdst::composition::Composition::getMeanAtomicNumber</a></div><div class="ttdeci">double getMeanAtomicNumber() const</div><div class="ttdoc">Compute the mean atomic number of the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00646">composition.cpp:646</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_aa00cbc0933d8a22bb900ac21a338e5ac"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#aa00cbc0933d8a22bb900ac21a338e5ac">fourdst::composition::Composition::m_finalized</a></div><div class="ttdeci">bool m_finalized</div><div class="ttdoc">True if the composition is finalized.</div><div class="ttdef"><b>Definition</b> <a href="#l00264">composition.h:264</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_aa3ff8ece122a9fad1252061148566749"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#aa3ff8ece122a9fad1252061148566749">fourdst::composition::Composition::~Composition</a></div><div class="ttdeci">~Composition()=default</div><div class="ttdoc">Default destructor.</div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_aa534a01f24074cc9edd7f41df228eb50"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#aa534a01f24074cc9edd7f41df228eb50">fourdst::composition::Composition::getSpeciesAtIndex</a></div><div class="ttdeci">atomic::Species getSpeciesAtIndex(size_t index) const</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#l00873">composition.cpp:873</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_aa7f2753b10e85ae3bbf0c3d600a973db"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#aa7f2753b10e85ae3bbf0c3d600a973db">fourdst::composition::Composition::m_compositions</a></div><div class="ttdeci">std::unordered_map&lt; std::string, CompositionEntry &gt; m_compositions</div><div class="ttdoc">The compositions.</div><div class="ttdef"><b>Definition</b> <a href="#l00270">composition.h:270</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_ab1701644ff1c83c220dc04eb58d1621b"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#ab1701644ff1c83c220dc04eb58d1621b">fourdst::composition::Composition::begin</a></div><div class="ttdeci">auto begin()</div><div class="ttdoc">Returns an iterator to the beginning of the composition map.</div><div class="ttdef"><b>Definition</b> <a href="#l00821">composition.h:821</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_ab6c66f35e1fb05dd24aacaf90e115c5e"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#ab6c66f35e1fb05dd24aacaf90e115c5e">fourdst::composition::Composition::m_logger</a></div><div class="ttdeci">quill::Logger * m_logger</div><div class="ttdef"><b>Definition</b> <a href="#l00262">composition.h:262</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_ac75dbc8377556c835455991c7c7fe206"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#ac75dbc8377556c835455991c7c7fe206">fourdst::composition::Composition::getCanonicalComposition</a></div><div class="ttdeci">CanonicalComposition getCanonicalComposition(bool harsh=false) const</div><div class="ttdoc">Gets the current canonical composition (X, Y, Z).</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00715">composition.cpp:715</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_acb08478f7032ecc13cb02283a18187e9"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#acb08478f7032ecc13cb02283a18187e9">fourdst::composition::Composition::contains</a></div><div class="ttdeci">bool contains(const fourdst::atomic::Species &amp;isotope) const</div><div class="ttdoc">Checks if a given isotope is present in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00906">composition.cpp:906</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_acdbdf980297580e885ce3f124164315f"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#acdbdf980297580e885ce3f124164315f">fourdst::composition::Composition::getMassFractionVector</a></div><div class="ttdeci">std::vector&lt; double &gt; getMassFractionVector() const</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#l00762">composition.cpp:762</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_ad20bd541dd7c45274a2e586e6a0519a7"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#ad20bd541dd7c45274a2e586e6a0519a7">fourdst::composition::Composition::getMassFraction</a></div><div class="ttdeci">std::unordered_map&lt; std::string, double &gt; getMassFraction() const</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#l00559">composition.cpp:559</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_addae4484da7d5072ab66a721dbe04ced"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#addae4484da7d5072ab66a721dbe04ced">fourdst::composition::Composition::m_specificNumberDensity</a></div><div class="ttdeci">double m_specificNumberDensity</div><div class="ttdoc">The specific number density of the composition (\sum_{i} X_i m_i. Where X_i is the number fraction of...</div><div class="ttdef"><b>Definition</b> <a href="#l00265">composition.h:265</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_addf03ba8b988970d341884d487aa94d5"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#addf03ba8b988970d341884d487aa94d5">fourdst::composition::Composition::isValidComposition</a></div><div class="ttdeci">bool isValidComposition(const std::vector&lt; double &gt; &amp;fractions) const</div><div class="ttdoc">Checks if the given fractions are valid (sum to ~1.0).</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00295">composition.cpp:295</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_adeaf6f1213e78cb1fe8a8317f0a8adc2"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#adeaf6f1213e78cb1fe8a8317f0a8adc2">fourdst::composition::Composition::end</a></div><div class="ttdeci">auto end()</div><div class="ttdoc">Returns an iterator to the end of the composition map.</div><div class="ttdef"><b>Definition</b> <a href="#l00837">composition.h:837</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_adf41a833e8b704daf4f581fca5c8cb9b"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#adf41a833e8b704daf4f581fca5c8cb9b">fourdst::composition::Composition::begin</a></div><div class="ttdeci">auto begin() const</div><div class="ttdoc">Returns a const iterator to the beginning of the composition map.</div><div class="ttdef"><b>Definition</b> <a href="#l00829">composition.h:829</a></div></div>
<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_aed2f5676f8f742199f01e4d1e9664bdd"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.html#aed2f5676f8f742199f01e4d1e9664bdd">fourdst::composition::Composition::end</a></div><div class="ttdeci">auto end() const</div><div class="ttdoc">Returns a const iterator to the end of the composition map.</div><div class="ttdef"><b>Definition</b> <a href="#l00845">composition.h:845</a></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="ttdef"><b>Definition</b> <a href="#l00033">composition.h:33</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#l00051">atomicSpecies.h:51</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="#l00043">composition.h:43</a></div></div>
<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&lt;&lt;</a></div><div class="ttdeci">friend std::ostream &amp; operator&lt;&lt;(std::ostream &amp;os, const CanonicalComposition &amp;composition)</div><div class="ttdoc">Overloads the stream insertion operator for easy printing.</div><div class="ttdef"><b>Definition</b> <a href="#l00054">composition.h:54</a></div></div>
<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="#l00045">composition.h:45</a></div></div>
<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="#l00044">composition.h:44</a></div></div>
<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="#l00046">composition.h:46</a></div></div>
<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a0498d707d8ea78be39283786c10657ef"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a0498d707d8ea78be39283786c10657ef">fourdst::composition::CompositionEntry::m_relAbundance</a></div><div class="ttdeci">double m_relAbundance</div><div class="ttdoc">The relative abundance, used internally for conversions. For mass fraction mode, this is X_i / A_i; f...</div><div class="ttdef"><b>Definition</b> <a href="#l00090">composition.h:90</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a14f12b8b0178df2e32e2023bd4564ddc"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a14f12b8b0178df2e32e2023bd4564ddc">fourdst::composition::CompositionEntry::getMassFracMode</a></div><div class="ttdeci">bool getMassFracMode() const</div><div class="ttdoc">Gets the mode of the composition entry.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00172">composition.cpp:172</a></div></div>
<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a1cccb94c150dd1dcde860f55fbeaf2bd"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a1cccb94c150dd1dcde860f55fbeaf2bd">fourdst::composition::CompositionEntry::CompositionEntry</a></div><div class="ttdeci">CompositionEntry()</div><div class="ttdoc">Default constructor. Initializes a default entry (H-1), but in an uninitialized state.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00063">composition.cpp:63</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a1e860519bea86793413ed67c76d18c8b"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a1e860519bea86793413ed67c76d18c8b">fourdst::composition::CompositionEntry::m_massFracMode</a></div><div class="ttdeci">bool m_massFracMode</div><div class="ttdoc">The mode of the composition entry. True if mass fraction, false if number fraction.</div><div class="ttdef"><b>Definition</b> <a href="#l00086">composition.h:86</a></div></div>
<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a2b5e245f7dabb11076efdbe1ed516d9f"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a2b5e245f7dabb11076efdbe1ed516d9f">fourdst::composition::CompositionEntry::m_numberFraction</a></div><div class="ttdeci">double m_numberFraction</div><div class="ttdoc">The number fraction (mole fraction) of the species. Valid only if m_massFracMode is false.</div><div class="ttdef"><b>Definition</b> <a href="#l00089">composition.h:89</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a2d55492d285068d4a64db5602dfb1c78"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a2d55492d285068d4a64db5602dfb1c78">fourdst::composition::CompositionEntry::number_fraction</a></div><div class="ttdeci">double number_fraction() const</div><div class="ttdoc">Gets the number fraction of the species.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00114">composition.cpp:114</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a391e899874cd7ef299a3ae1f64c016d2"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a391e899874cd7ef299a3ae1f64c016d2">fourdst::composition::CompositionEntry::m_initialized</a></div><div class="ttdeci">bool m_initialized</div><div class="ttdoc">True if the composition entry has been initialized with a valid species.</div><div class="ttdef"><b>Definition</b> <a href="#l00092">composition.h:92</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a3fb3f63a4e5675c6fefb662a8e3e7aa3"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a3fb3f63a4e5675c6fefb662a8e3e7aa3">fourdst::composition::CompositionEntry::setMassFracMode</a></div><div class="ttdeci">bool setMassFracMode(double meanMolarMass)</div><div class="ttdoc">Switches the mode to mass fraction mode.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00154">composition.cpp:154</a></div></div>
<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a4d6df43e098e7e2e2d94ff7fb76cb4c2"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a4d6df43e098e7e2e2d94ff7fb76cb4c2">fourdst::composition::CompositionEntry::setMassFraction</a></div><div class="ttdeci">void setMassFraction(double mass_fraction)</div><div class="ttdoc">Sets the mass fraction of the species.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00138">composition.cpp:138</a></div></div>
<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a50d18b4c27611fa9314dd756af54c2f0"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a50d18b4c27611fa9314dd756af54c2f0">fourdst::composition::CompositionEntry::symbol</a></div><div class="ttdeci">std::string symbol() const</div><div class="ttdoc">Gets the chemical symbol of the species.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00093">composition.cpp:93</a></div></div>
<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a5885a0e33687bceb15b225a00163e9d3"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a5885a0e33687bceb15b225a00163e9d3">fourdst::composition::CompositionEntry::setSpecies</a></div><div class="ttdeci">void setSpecies(const std::string &amp;symbol)</div><div class="ttdoc">Sets the species for the composition entry. This can only be done once.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00081">composition.cpp:81</a></div></div>
<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a66cb086719d7f654869bd7b0cee87ffc"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a66cb086719d7f654869bd7b0cee87ffc">fourdst::composition::CompositionEntry::mass_fraction</a></div><div class="ttdeci">double mass_fraction() const</div><div class="ttdoc">Gets the mass fraction of the species.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00097">composition.cpp:97</a></div></div>
<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a743042d1998875851150d789817f5473"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a743042d1998875851150d789817f5473">fourdst::composition::CompositionEntry::setNumberFracMode</a></div><div class="ttdeci">bool setNumberFracMode(double totalMoles)</div><div class="ttdoc">Switches the mode to number fraction mode.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00163">composition.cpp:163</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a79039cbdc76b4401eb2ce44b85467503"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a79039cbdc76b4401eb2ce44b85467503">fourdst::composition::CompositionEntry::m_isotope</a></div><div class="ttdeci">atomic::Species m_isotope</div><div class="ttdoc">The atomic::Species object containing detailed isotope data.</div><div class="ttdef"><b>Definition</b> <a href="#l00085">composition.h:85</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_a9ec47cf4b3399128d3836c1b24b031b0"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#a9ec47cf4b3399128d3836c1b24b031b0">fourdst::composition::CompositionEntry::setNumberFraction</a></div><div class="ttdeci">void setNumberFraction(double number_fraction)</div><div class="ttdoc">Sets the number fraction of the species.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00146">composition.cpp:146</a></div></div>
<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_ab6619d23e111905d1e3ab16ee822d96c"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#ab6619d23e111905d1e3ab16ee822d96c">fourdst::composition::CompositionEntry::rel_abundance</a></div><div class="ttdeci">double rel_abundance() const</div><div class="ttdoc">Gets the relative abundance of the species.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00130">composition.cpp:130</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_ac273debdba6a1b3ac0f11698c399d38e"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#ac273debdba6a1b3ac0f11698c399d38e">fourdst::composition::CompositionEntry::m_symbol</a></div><div class="ttdeci">std::string m_symbol</div><div class="ttdoc">The chemical symbol of the species (e.g., &quot;H-1&quot;, &quot;Fe-56&quot;).</div><div class="ttdef"><b>Definition</b> <a href="#l00084">composition.h:84</a></div></div>
<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_adc20165bf94e18eea3458003025579ac"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#adc20165bf94e18eea3458003025579ac">fourdst::composition::CompositionEntry::m_massFraction</a></div><div class="ttdeci">double m_massFraction</div><div class="ttdoc">The mass fraction of the species. Valid only if m_massFracMode is true.</div><div class="ttdef"><b>Definition</b> <a href="#l00088">composition.h:88</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_ae7a6a113fc5914248eff5629716d6eb2"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#ae7a6a113fc5914248eff5629716d6eb2">fourdst::composition::CompositionEntry::operator&lt;&lt;</a></div><div class="ttdeci">friend std::ostream &amp; operator&lt;&lt;(std::ostream &amp;os, const CompositionEntry &amp;entry)</div><div class="ttdoc">Overloaded output stream operator for CompositionEntry.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00932">composition.cpp:932</a></div></div>
<div class="ttc" id="astructfourdst_1_1composition_1_1_composition_entry_html_af4f8d292d18755670a914072e2260dfb"><div class="ttname"><a href="structfourdst_1_1composition_1_1_composition_entry.html#af4f8d292d18755670a914072e2260dfb">fourdst::composition::CompositionEntry::isotope</a></div><div class="ttdeci">atomic::Species isotope() const</div><div class="ttdoc">Gets the isotope data for the species.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00134">composition.cpp:134</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_global_composition_html"><div class="ttname"><a href="structfourdst_1_1composition_1_1_global_composition.html">fourdst::composition::GlobalComposition</a></div><div class="ttdoc">Represents global properties of a finalized composition.</div><div class="ttdef"><b>Definition</b> <a href="#l00069">composition.h:69</a></div></div>
<div class="ttc" id="astructfourdst_1_1composition_1_1_global_composition_html_a0df6ecfe28d13cbffd0abcbfec9aee41"><div class="ttname"><a href="structfourdst_1_1composition_1_1_global_composition.html#a0df6ecfe28d13cbffd0abcbfec9aee41">fourdst::composition::GlobalComposition::specificNumberDensity</a></div><div class="ttdeci">double specificNumberDensity</div><div class="ttdoc">The specific number density (moles per unit mass, sum of X_i/M_i), where X_i is mass fraction and M_i...</div><div class="ttdef"><b>Definition</b> <a href="#l00070">composition.h:70</a></div></div>
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<div class="ttc" id="astructfourdst_1_1composition_1_1_global_composition_html_a3c072a749c3648607771ac9105181f26"><div class="ttname"><a href="structfourdst_1_1composition_1_1_global_composition.html#a3c072a749c3648607771ac9105181f26">fourdst::composition::GlobalComposition::operator&lt;&lt;</a></div><div class="ttdeci">friend std::ostream &amp; operator&lt;&lt;(std::ostream &amp;os, const GlobalComposition &amp;comp)</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00925">composition.cpp:925</a></div></div>
docs(docs): added robust docs
2025-07-24 09:35:52 -04:00
<div class="ttc" id="astructfourdst_1_1composition_1_1_global_composition_html_a9c35810d965841a755da9ce4644a2f1b"><div class="ttname"><a href="structfourdst_1_1composition_1_1_global_composition.html#a9c35810d965841a755da9ce4644a2f1b">fourdst::composition::GlobalComposition::meanParticleMass</a></div><div class="ttdeci">double meanParticleMass</div><div class="ttdoc">The mean mass per particle (inverse of specific number density). Units: g/mol.</div><div class="ttdef"><b>Definition</b> <a href="#l00071">composition.h:71</a></div></div>
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