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<div id="projectname">fourdst::libcomposition<span id="projectnumber"> v2.0.1</span>
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<div id="projectbrief">Robust atomic species information library</div>
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<div class="headertitle"><div class="title">composition_abstract.h</div></div>
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<a href="composition__abstract_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="preprocessor">#pragma once</span></div>
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<div class="line"><a id="l00002" name="l00002"></a><span class="lineno"> 2</span> </div>
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<div class="line"><a id="l00003" name="l00003"></a><span class="lineno"> 3</span><span class="preprocessor">#include "<a class="code" href="atomic_species_8h.html">fourdst/atomic/atomicSpecies.h</a>"</span></div>
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<div class="line"><a id="l00004" name="l00004"></a><span class="lineno"> 4</span> </div>
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<div class="line"><a id="l00005" name="l00005"></a><span class="lineno"> 5</span><span class="preprocessor">#include <string></span></div>
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<div class="line"><a id="l00006" name="l00006"></a><span class="lineno"> 6</span><span class="preprocessor">#include <unordered_map></span></div>
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<div class="line"><a id="l00007" name="l00007"></a><span class="lineno"> 7</span><span class="preprocessor">#include <set></span></div>
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<div class="line"><a id="l00008" name="l00008"></a><span class="lineno"> 8</span><span class="preprocessor">#include <vector></span></div>
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<div class="line"><a id="l00009" name="l00009"></a><span class="lineno"> 9</span></div>
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<div class="foldopen" id="foldopen00033" data-start="{" data-end="};">
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<div class="line"><a id="l00033" name="l00033"></a><span class="lineno"><a class="line" href="class_composition_abstract.html"> 33</a></span><span class="keyword">class </span><a class="code hl_class" href="class_composition_abstract.html">CompositionAbstract</a> {</div>
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<div class="line"><a id="l00034" name="l00034"></a><span class="lineno"> 34</span><span class="keyword">public</span>:</div>
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<div class="line"><a id="l00038" name="l00038"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#aaae3d6215b7433cb9871664852a95d1b"> 38</a></span> <span class="keyword">virtual</span> <a class="code hl_function" href="class_composition_abstract.html#aaae3d6215b7433cb9871664852a95d1b">~CompositionAbstract</a>() = <span class="keywordflow">default</span>;</div>
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<div class="line"><a id="l00039" name="l00039"></a><span class="lineno"> 39</span></div>
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<div class="line"><a id="l00045" name="l00045"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#af42050fabc3c888d77f0fc98f08bc80a"> 45</a></span> [[nodiscard]] <span class="keyword">virtual</span> <span class="keywordtype">bool</span> <a class="code hl_function" href="class_composition_abstract.html#af42050fabc3c888d77f0fc98f08bc80a">contains</a>(<span class="keyword">const</span> <a class="code hl_struct" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a>& species) <span class="keyword">const</span> <span class="keyword">noexcept</span> = 0;</div>
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<div class="line"><a id="l00046" name="l00046"></a><span class="lineno"> 46</span></div>
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<div class="line"><a id="l00052" name="l00052"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#aebd1997d8b3a59356f587c234b290796"> 52</a></span> [[nodiscard]] <span class="keyword">virtual</span> <span class="keywordtype">bool</span> <a class="code hl_function" href="class_composition_abstract.html#aebd1997d8b3a59356f587c234b290796">contains</a>(<span class="keyword">const</span> std::string& symbol) <span class="keyword">const</span> = 0;</div>
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<div class="line"><a id="l00053" name="l00053"></a><span class="lineno"> 53</span> </div>
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<div class="line"><a id="l00054" name="l00054"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#a230f58ef18a9816c1d13c287eaf3ba05"> 54</a></span> [[nodiscard]] <span class="keyword">virtual</span> <span class="keywordtype">size_t</span> <a class="code hl_function" href="class_composition_abstract.html#a230f58ef18a9816c1d13c287eaf3ba05">size</a>() const noexcept = 0;</div>
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<div class="line"><a id="l00055" name="l00055"></a><span class="lineno"> 55</span></div>
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<div class="line"><a id="l00060" name="l00060"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#a5a4362dc0d77659b75d528a0e884ed7b"> 60</a></span> [[nodiscard]] virtual std::set<std::<span class="keywordtype">string</span>> <a class="code hl_function" href="class_composition_abstract.html#a5a4362dc0d77659b75d528a0e884ed7b">getRegisteredSymbols</a>() const noexcept = 0;</div>
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<div class="line"><a id="l00061" name="l00061"></a><span class="lineno"> 61</span></div>
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<div class="line"><a id="l00066" name="l00066"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#ae6e7152d69fc5f5a128f8cb2cfce1587"> 66</a></span> [[nodiscard]] virtual const std::set<<a class="code hl_namespace" href="namespacefourdst.html">fourdst</a>::atomic::Species> &<a class="code hl_function" href="class_composition_abstract.html#ae6e7152d69fc5f5a128f8cb2cfce1587">getRegisteredSpecies</a>() const noexcept = 0;</div>
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<div class="line"><a id="l00067" name="l00067"></a><span class="lineno"> 67</span></div>
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<div class="line"><a id="l00072" name="l00072"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#afb72c61da511b7963382804a0e87a54a"> 72</a></span> [[nodiscard]] virtual std::unordered_map<<a class="code hl_namespace" href="namespacefourdst.html">fourdst</a>::atomic::Species, <span class="keywordtype">double</span>> <a class="code hl_function" href="class_composition_abstract.html#afb72c61da511b7963382804a0e87a54a">getMassFraction</a>() const noexcept = 0;</div>
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<div class="line"><a id="l00073" name="l00073"></a><span class="lineno"> 73</span></div>
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<div class="line"><a id="l00078" name="l00078"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#a506ef92e69f99ad02598c8d178df1c31"> 78</a></span> [[nodiscard]] virtual std::unordered_map<<a class="code hl_namespace" href="namespacefourdst.html">fourdst</a>::atomic::Species, <span class="keywordtype">double</span>> <a class="code hl_function" href="class_composition_abstract.html#a506ef92e69f99ad02598c8d178df1c31">getNumberFraction</a>() const noexcept = 0;</div>
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<div class="line"><a id="l00079" name="l00079"></a><span class="lineno"> 79</span></div>
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<div class="line"><a id="l00085" name="l00085"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#ae0044d30efddccacc9fe7c8e58003066"> 85</a></span> [[nodiscard]] virtual <span class="keywordtype">double</span> <a class="code hl_function" href="class_composition_abstract.html#afb72c61da511b7963382804a0e87a54a">getMassFraction</a>(const std::<span class="keywordtype">string</span>& symbol) const = 0;</div>
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<div class="line"><a id="l00086" name="l00086"></a><span class="lineno"> 86</span></div>
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<div class="line"><a id="l00092" name="l00092"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#a401e8298ed93b7963624e8a17eb17b55"> 92</a></span> [[nodiscard]] virtual <span class="keywordtype">double</span> <a class="code hl_function" href="class_composition_abstract.html#afb72c61da511b7963382804a0e87a54a">getMassFraction</a>(const <a class="code hl_namespace" href="namespacefourdst.html">fourdst</a>::atomic::Species& species) const = 0;</div>
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<div class="line"><a id="l00093" name="l00093"></a><span class="lineno"> 93</span></div>
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<div class="line"><a id="l00099" name="l00099"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#ae6026b1335230c6dfbd897ec8dfda295"> 99</a></span> [[nodiscard]] virtual <span class="keywordtype">double</span> <a class="code hl_function" href="class_composition_abstract.html#a506ef92e69f99ad02598c8d178df1c31">getNumberFraction</a>(const std::<span class="keywordtype">string</span>& symbol) const = 0;</div>
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<div class="line"><a id="l00100" name="l00100"></a><span class="lineno"> 100</span></div>
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<div class="line"><a id="l00106" name="l00106"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#a27d1d91203adb736454aa9b9936fc8c3"> 106</a></span> [[nodiscard]] virtual <span class="keywordtype">double</span> <a class="code hl_function" href="class_composition_abstract.html#a506ef92e69f99ad02598c8d178df1c31">getNumberFraction</a>(const <a class="code hl_namespace" href="namespacefourdst.html">fourdst</a>::atomic::Species& species) const = 0;</div>
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<div class="line"><a id="l00107" name="l00107"></a><span class="lineno"> 107</span></div>
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<div class="line"><a id="l00113" name="l00113"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#a71fb459bf4375af2fe33c8a7c0747ce0"> 113</a></span> [[nodiscard]] virtual <span class="keywordtype">double</span> <a class="code hl_function" href="class_composition_abstract.html#a71fb459bf4375af2fe33c8a7c0747ce0">getMolarAbundance</a>(const std::<span class="keywordtype">string</span>& symbol) const = 0;</div>
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<div class="line"><a id="l00114" name="l00114"></a><span class="lineno"> 114</span></div>
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<div class="line"><a id="l00120" name="l00120"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#a4cfc9e37370caae275c0f801b700e37b"> 120</a></span> [[nodiscard]] virtual <span class="keywordtype">double</span> <a class="code hl_function" href="class_composition_abstract.html#a71fb459bf4375af2fe33c8a7c0747ce0">getMolarAbundance</a>(const <a class="code hl_namespace" href="namespacefourdst.html">fourdst</a>::atomic::Species& species) const = 0;</div>
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<div class="line"><a id="l00121" name="l00121"></a><span class="lineno"> 121</span></div>
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<div class="line"><a id="l00126" name="l00126"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#a85bf97a30ecadd0750bece4442f4deff"> 126</a></span> [[nodiscard]] virtual <span class="keywordtype">double</span> <a class="code hl_function" href="class_composition_abstract.html#a85bf97a30ecadd0750bece4442f4deff">getMeanParticleMass</a>() const noexcept = 0;</div>
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<div class="line"><a id="l00127" name="l00127"></a><span class="lineno"> 127</span></div>
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<div class="line"><a id="l00132" name="l00132"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#a86b60205094ed72435ee84abf9498e21"> 132</a></span> [[nodiscard]] virtual <span class="keywordtype">double</span> <a class="code hl_function" href="class_composition_abstract.html#a86b60205094ed72435ee84abf9498e21">getElectronAbundance</a>() const noexcept = 0;</div>
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<div class="line"><a id="l00133" name="l00133"></a><span class="lineno"> 133</span></div>
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<div class="line"><a id="l00138" name="l00138"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#a82583ffa3c08297cda6c3957a6a7dbc6"> 138</a></span> [[nodiscard]] virtual std::vector<<span class="keywordtype">double</span>> <a class="code hl_function" href="class_composition_abstract.html#a82583ffa3c08297cda6c3957a6a7dbc6">getMassFractionVector</a>() const noexcept = 0;</div>
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<div class="line"><a id="l00139" name="l00139"></a><span class="lineno"> 139</span></div>
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<div class="line"><a id="l00144" name="l00144"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#a883ea47508557952b9f15432bf0be376"> 144</a></span> [[nodiscard]] virtual std::vector<<span class="keywordtype">double</span>> <a class="code hl_function" href="class_composition_abstract.html#a883ea47508557952b9f15432bf0be376">getNumberFractionVector</a>() const noexcept = 0;</div>
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<div class="line"><a id="l00145" name="l00145"></a><span class="lineno"> 145</span></div>
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<div class="line"><a id="l00150" name="l00150"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#a1ad7a33d17db32b2c9ce0a30cd6628f9"> 150</a></span> [[nodiscard]] virtual std::vector<<span class="keywordtype">double</span>> <a class="code hl_function" href="class_composition_abstract.html#a1ad7a33d17db32b2c9ce0a30cd6628f9">getMolarAbundanceVector</a>() const noexcept = 0;</div>
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<div class="line"><a id="l00151" name="l00151"></a><span class="lineno"> 151</span></div>
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<div class="line"><a id="l00157" name="l00157"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#a1e5195debe590960aa064289733958ba"> 157</a></span> [[nodiscard]] virtual <span class="keywordtype">size_t</span> <a class="code hl_function" href="class_composition_abstract.html#a1e5195debe590960aa064289733958ba">getSpeciesIndex</a>(const std::<span class="keywordtype">string</span>& symbol) const = 0;</div>
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<div class="line"><a id="l00158" name="l00158"></a><span class="lineno"> 158</span></div>
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<div class="line"><a id="l00164" name="l00164"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#ab41311a8c20a9556d087a604da735767"> 164</a></span> [[nodiscard]] virtual <span class="keywordtype">size_t</span> <a class="code hl_function" href="class_composition_abstract.html#a1e5195debe590960aa064289733958ba">getSpeciesIndex</a>(const <a class="code hl_namespace" href="namespacefourdst.html">fourdst</a>::atomic::Species& species) const = 0;</div>
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<div class="line"><a id="l00165" name="l00165"></a><span class="lineno"> 165</span></div>
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<div class="line"><a id="l00171" name="l00171"></a><span class="lineno"><a class="line" href="class_composition_abstract.html#aaee3651c1672b2763181e966e4525ba6"> 171</a></span> [[nodiscard]] virtual <a class="code hl_namespace" href="namespacefourdst.html">fourdst</a>::atomic::Species <a class="code hl_function" href="class_composition_abstract.html#aaee3651c1672b2763181e966e4525ba6">getSpeciesAtIndex</a>(<span class="keywordtype">size_t</span> index) const = 0;</div>
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<div class="line"><a id="l00172" name="l00172"></a><span class="lineno"> 172</span>};</div>
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</div>
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<div class="ttc" id="aatomic_species_8h_html"><div class="ttname"><a href="atomic_species_8h.html">atomicSpecies.h</a></div></div>
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<div class="ttc" id="aclass_composition_abstract_html"><div class="ttname"><a href="class_composition_abstract.html">CompositionAbstract</a></div><div class="ttdoc">Abstract base class for chemical composition representations.</div><div class="ttdef"><b>Definition</b> <a href="#l00033">composition_abstract.h:33</a></div></div>
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<div class="ttc" id="aclass_composition_abstract_html_a1ad7a33d17db32b2c9ce0a30cd6628f9"><div class="ttname"><a href="class_composition_abstract.html#a1ad7a33d17db32b2c9ce0a30cd6628f9">CompositionAbstract::getMolarAbundanceVector</a></div><div class="ttdeci">virtual std::vector< double > getMolarAbundanceVector() const noexcept=0</div><div class="ttdoc">Get the molar abundance as a vector.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_a1e5195debe590960aa064289733958ba"><div class="ttname"><a href="class_composition_abstract.html#a1e5195debe590960aa064289733958ba">CompositionAbstract::getSpeciesIndex</a></div><div class="ttdeci">virtual size_t getSpeciesIndex(const std::string &symbol) const =0</div><div class="ttdoc">Get the index of a species by symbol.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_a230f58ef18a9816c1d13c287eaf3ba05"><div class="ttname"><a href="class_composition_abstract.html#a230f58ef18a9816c1d13c287eaf3ba05">CompositionAbstract::size</a></div><div class="ttdeci">virtual size_t size() const noexcept=0</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_a506ef92e69f99ad02598c8d178df1c31"><div class="ttname"><a href="class_composition_abstract.html#a506ef92e69f99ad02598c8d178df1c31">CompositionAbstract::getNumberFraction</a></div><div class="ttdeci">virtual std::unordered_map< fourdst::atomic::Species, double > getNumberFraction() const noexcept=0</div><div class="ttdoc">Get the number fraction for all registered symbols.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_a5a4362dc0d77659b75d528a0e884ed7b"><div class="ttname"><a href="class_composition_abstract.html#a5a4362dc0d77659b75d528a0e884ed7b">CompositionAbstract::getRegisteredSymbols</a></div><div class="ttdeci">virtual std::set< std::string > getRegisteredSymbols() const noexcept=0</div><div class="ttdoc">Get all registered chemical symbols in the composition.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_a71fb459bf4375af2fe33c8a7c0747ce0"><div class="ttname"><a href="class_composition_abstract.html#a71fb459bf4375af2fe33c8a7c0747ce0">CompositionAbstract::getMolarAbundance</a></div><div class="ttdeci">virtual double getMolarAbundance(const std::string &symbol) const =0</div><div class="ttdoc">Get the molar abundance for a given symbol.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_a82583ffa3c08297cda6c3957a6a7dbc6"><div class="ttname"><a href="class_composition_abstract.html#a82583ffa3c08297cda6c3957a6a7dbc6">CompositionAbstract::getMassFractionVector</a></div><div class="ttdeci">virtual std::vector< double > getMassFractionVector() const noexcept=0</div><div class="ttdoc">Get the mass fraction as a vector.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_a85bf97a30ecadd0750bece4442f4deff"><div class="ttname"><a href="class_composition_abstract.html#a85bf97a30ecadd0750bece4442f4deff">CompositionAbstract::getMeanParticleMass</a></div><div class="ttdeci">virtual double getMeanParticleMass() const noexcept=0</div><div class="ttdoc">Get the mean particle mass of the composition.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_a86b60205094ed72435ee84abf9498e21"><div class="ttname"><a href="class_composition_abstract.html#a86b60205094ed72435ee84abf9498e21">CompositionAbstract::getElectronAbundance</a></div><div class="ttdeci">virtual double getElectronAbundance() const noexcept=0</div><div class="ttdoc">Get the electron abundance of the composition.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_a883ea47508557952b9f15432bf0be376"><div class="ttname"><a href="class_composition_abstract.html#a883ea47508557952b9f15432bf0be376">CompositionAbstract::getNumberFractionVector</a></div><div class="ttdeci">virtual std::vector< double > getNumberFractionVector() const noexcept=0</div><div class="ttdoc">Get the number fraction as a vector.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_aaae3d6215b7433cb9871664852a95d1b"><div class="ttname"><a href="class_composition_abstract.html#aaae3d6215b7433cb9871664852a95d1b">CompositionAbstract::~CompositionAbstract</a></div><div class="ttdeci">virtual ~CompositionAbstract()=default</div><div class="ttdoc">Virtual destructor.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_aaee3651c1672b2763181e966e4525ba6"><div class="ttname"><a href="class_composition_abstract.html#aaee3651c1672b2763181e966e4525ba6">CompositionAbstract::getSpeciesAtIndex</a></div><div class="ttdeci">virtual fourdst::atomic::Species getSpeciesAtIndex(size_t index) const =0</div><div class="ttdoc">Get the species at a given index.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_ae6e7152d69fc5f5a128f8cb2cfce1587"><div class="ttname"><a href="class_composition_abstract.html#ae6e7152d69fc5f5a128f8cb2cfce1587">CompositionAbstract::getRegisteredSpecies</a></div><div class="ttdeci">virtual const std::set< fourdst::atomic::Species > & getRegisteredSpecies() const noexcept=0</div><div class="ttdoc">Get all registered atomic species in the composition.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_aebd1997d8b3a59356f587c234b290796"><div class="ttname"><a href="class_composition_abstract.html#aebd1997d8b3a59356f587c234b290796">CompositionAbstract::contains</a></div><div class="ttdeci">virtual bool contains(const std::string &symbol) const =0</div><div class="ttdoc">Check if the composition contains the given species.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_af42050fabc3c888d77f0fc98f08bc80a"><div class="ttname"><a href="class_composition_abstract.html#af42050fabc3c888d77f0fc98f08bc80a">CompositionAbstract::contains</a></div><div class="ttdeci">virtual bool contains(const fourdst::atomic::Species &species) const noexcept=0</div><div class="ttdoc">Check if the composition contains the given species.</div></div>
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<div class="ttc" id="aclass_composition_abstract_html_afb72c61da511b7963382804a0e87a54a"><div class="ttname"><a href="class_composition_abstract.html#afb72c61da511b7963382804a0e87a54a">CompositionAbstract::getMassFraction</a></div><div class="ttdeci">virtual std::unordered_map< fourdst::atomic::Species, double > getMassFraction() const noexcept=0</div><div class="ttdoc">Get the mass fraction for all registered symbols.</div></div>
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<div class="ttc" id="anamespacefourdst_html"><div class="ttname"><a href="namespacefourdst.html">fourdst</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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