667 lines
108 KiB
TeX
667 lines
108 KiB
TeX
\doxysection{composition.\+cpp}
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\hypertarget{composition_8cpp_source}{}\label{composition_8cpp_source}\index{src/composition/lib/composition.cpp@{src/composition/lib/composition.cpp}}
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\mbox{\hyperlink{composition_8cpp}{Go to the documentation of this file.}}
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\begin{DoxyCode}{0}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00001}00001\ \textcolor{comment}{/*\ ***********************************************************************}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00002}00002\ \textcolor{comment}{//}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00003}00003\ \textcolor{comment}{//\ \ \ Copyright\ (C)\ 2025\ -\/-\/\ The\ 4D-\/STAR\ Collaboration}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00004}00004\ \textcolor{comment}{//\ \ \ File\ Author:\ Emily\ Boudreaux}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00005}00005\ \textcolor{comment}{//\ \ \ Last\ Modified:\ October\ 6,\ 2025}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00006}00006\ \textcolor{comment}{//}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00007}00007\ \textcolor{comment}{//\ \ \ 4DSSE\ is\ free\ software;\ you\ can\ use\ it\ and/or\ modify}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00008}00008\ \textcolor{comment}{//\ \ \ it\ under\ the\ terms\ and\ restrictions\ the\ GNU\ General\ Library\ Public}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00009}00009\ \textcolor{comment}{//\ \ \ License\ version\ 3\ (GPLv3)\ as\ published\ by\ the\ Free\ Software\ Foundation.}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00010}00010\ \textcolor{comment}{//}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00011}00011\ \textcolor{comment}{//\ \ \ 4DSSE\ is\ distributed\ in\ the\ hope\ that\ it\ will\ be\ useful,}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00012}00012\ \textcolor{comment}{//\ \ \ but\ WITHOUT\ ANY\ WARRANTY;\ without\ even\ the\ implied\ warranty\ of}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00013}00013\ \textcolor{comment}{//\ \ \ MERCHANTABILITY\ or\ FITNESS\ FOR\ A\ PARTICULAR\ PURPOSE.}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00014}00014\ \textcolor{comment}{//\ \ \ See\ the\ GNU\ Library\ General\ Public\ License\ for\ more\ details.}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00015}00015\ \textcolor{comment}{//}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00016}00016\ \textcolor{comment}{//\ \ \ You\ should\ have\ received\ a\ copy\ of\ the\ GNU\ Library\ General\ Public\ License}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00017}00017\ \textcolor{comment}{//\ \ \ along\ with\ this\ software;\ if\ not,\ write\ to\ the\ Free\ Software}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00018}00018\ \textcolor{comment}{//\ \ \ Foundation,\ Inc.,\ 59\ Temple\ Place,\ Suite\ 330,\ Boston,\ MA\ 02111-\/1307\ USA}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00019}00019\ \textcolor{comment}{//}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00020}00020\ \textcolor{comment}{//\ ***********************************************************************\ */}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00359}00359\ \ \ \ \ \ \ \ \ std::vector<double>\ X\ =\ \mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_af4f44aaf8b7e0d63872a70b5e2131369}{getMassFractionVector}}();}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00360}00360\ \ \ \ \ \ \ \ \ \textcolor{keywordtype}{double}\ sum\ =\ 0.0;}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00369}00369\ \ \ \ \ \ \ \ \ \textcolor{keywordtype}{double}\ Ye\ =\ 0.0;}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00381}00381\ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{if}\ (\mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_a02cd9d9608da082a200fdfa86d14bf5d}{m\_cache}}.\mbox{\hyperlink{structfourdst_1_1composition_1_1Composition_1_1CompositionCache_a459e01b94eb0e78dd95bb6932a967f13}{canonicalComp}}.has\_value())\ \{}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00382}00382\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{return}\ \mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_a02cd9d9608da082a200fdfa86d14bf5d}{m\_cache}}.\mbox{\hyperlink{structfourdst_1_1composition_1_1Composition_1_1CompositionCache_a459e01b94eb0e78dd95bb6932a967f13}{canonicalComp}}.value();\ \textcolor{comment}{//\ Short\ circuit\ if\ we\ have\ cached\ the\ canonical\ composition}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00385}00385\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ std::set<Species>\ canonicalH\ =\ \{H\_1,\ H\_2,\ H\_3,\ H\_4,\ H\_5,\ H\_6,\ H\_7\};}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00386}00386\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ std::set<Species>\ canonicalHe\ =\ \{He\_3,\ He\_4,\ He\_5,\ He\_6,\ He\_7,\ He\_8,\ He\_9,\ He\_10\};}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00400}00400\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keywordtype}{bool}\ isHIsotope\ =\ canonicalH.contains(species);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00401}00401\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keywordtype}{bool}\ isHeIsotope\ =\ canonicalHe.contains(species);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00404}00404\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{continue};\ \textcolor{comment}{//\ Skip\ canonical\ H\ and\ He\ symbols}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00407}00407\ \ \ \ \ \ \ \ \ \ \ \ \ canonicalComposition.\mbox{\hyperlink{structfourdst_1_1composition_1_1CanonicalComposition_ae1981f5ddd36abd17a4a69fa1f43de18}{Z}}\ +=\ \mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_a9ea2b673341fdc67afeb0f0517a54c8c}{getMassFraction}}(species);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00410}00410\ \ \ \ \ \ \ \ \ \textcolor{comment}{//\ ReSharper\ disable\ once\ CppTooWideScopeInitStatement}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00411}00411\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keywordtype}{double}\ Z\ =\ 1.0\ -\/\ (canonicalComposition.\mbox{\hyperlink{structfourdst_1_1composition_1_1CanonicalComposition_abe5b01574242f8eaabd00c3d653291f7}{X}}\ +\ canonicalComposition.\mbox{\hyperlink{structfourdst_1_1composition_1_1CanonicalComposition_a93927bfccc5d2b3906565d092ed4f7f4}{Y}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00413}00413\ \ \ \ \ \ \ \ \ \ \ \ \ LOG\_ERROR(\mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_a46a706f9e4c06a45b45ae3dffdde5e9e}{getLogger}}(),\ \textcolor{stringliteral}{"{}Validation\ composition\ Z\ (X-\/Y\ =\ \{\})\ is\ different\ than\ canonical\ composition\ Z\ (\{\})\ (∑a\_i\ where\ a\_i\ !=\ H/He)."{}},\ Z,\ canonicalComposition.\mbox{\hyperlink{structfourdst_1_1composition_1_1CanonicalComposition_ae1981f5ddd36abd17a4a69fa1f43de18}{Z}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00414}00414\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{throw}\ \mbox{\hyperlink{classfourdst_1_1composition_1_1exceptions_1_1InvalidCompositionError}{exceptions::InvalidCompositionError}}(\textcolor{stringliteral}{"{}Validation\ composition\ Z\ (X-\/Y\ =\ "{}}\ +\ std::to\_string(Z)\ +\ \textcolor{stringliteral}{"{})\ is\ different\ than\ canonical\ composition\ Z\ ("{}}\ +\ std::to\_string(canonicalComposition.\mbox{\hyperlink{structfourdst_1_1composition_1_1CanonicalComposition_ae1981f5ddd36abd17a4a69fa1f43de18}{Z}})\ +\ \textcolor{stringliteral}{"{})\ (∑a\_i\ where\ a\_i\ !=\ H/He)."{}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00417}00417\ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{return}\ canonicalComposition;}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00421}00421\ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{if}\ (\mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_a02cd9d9608da082a200fdfa86d14bf5d}{m\_cache}}.\mbox{\hyperlink{structfourdst_1_1composition_1_1Composition_1_1CompositionCache_add5ce97ae6a1796c5f6488bfa1555be6}{massFractions}}.has\_value())\ \{}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00422}00422\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{return}\ \mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_a02cd9d9608da082a200fdfa86d14bf5d}{m\_cache}}.\mbox{\hyperlink{structfourdst_1_1composition_1_1Composition_1_1CompositionCache_add5ce97ae6a1796c5f6488bfa1555be6}{massFractions}}.value();\ \textcolor{comment}{//\ Short\ circuit\ if\ we\ have\ cached\ the\ mass\ fractions}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00425}00425\ \ \ \ \ \ \ \ \ std::vector<double>\ massFractionVector;}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00426}00426\ \ \ \ \ \ \ \ \ std::vector<double>\ speciesMass;}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00428}00428\ \ \ \ \ \ \ \ \ massFractionVector.reserve(\mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_aa05a640e0ea80142682bf4ee30a93c7f}{m\_molarAbundances}}.size());}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00429}00429\ \ \ \ \ \ \ \ \ speciesMass.reserve(\mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_aa05a640e0ea80142682bf4ee30a93c7f}{m\_molarAbundances}}.size());}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00431}00431\ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{for}\ (\textcolor{keyword}{const}\ \textcolor{keyword}{auto}\ \&species:\ \mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_aa05a640e0ea80142682bf4ee30a93c7f}{m\_molarAbundances}}\ |\ std::views::keys)\ \{}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00432}00432\ \ \ \ \ \ \ \ \ \ \ \ \ massFractionVector.push\_back(\mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_a9ea2b673341fdc67afeb0f0517a54c8c}{getMassFraction}}(species));}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00433}00433\ \ \ \ \ \ \ \ \ \ \ \ \ speciesMass.push\_back(species.mass());}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00436}00436\ \ \ \ \ \ \ \ \ std::vector<double>\ massFractions\ =\ sortVectorBy(massFractionVector,\ speciesMass);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00437}00437\ \ \ \ \ \ \ \ \ \mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_a02cd9d9608da082a200fdfa86d14bf5d}{m\_cache}}.\mbox{\hyperlink{structfourdst_1_1composition_1_1Composition_1_1CompositionCache_add5ce97ae6a1796c5f6488bfa1555be6}{massFractions}}\ =\ massFractions;\ \textcolor{comment}{//\ Cache\ the\ result}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00443}00443\ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{if}\ (\mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_a02cd9d9608da082a200fdfa86d14bf5d}{m\_cache}}.\mbox{\hyperlink{structfourdst_1_1composition_1_1Composition_1_1CompositionCache_a41ce9d6b4a0f00030e3027b23c0269fb}{numberFractions}}.has\_value())\ \{}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00444}00444\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{return}\ \mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_a02cd9d9608da082a200fdfa86d14bf5d}{m\_cache}}.\mbox{\hyperlink{structfourdst_1_1composition_1_1Composition_1_1CompositionCache_a41ce9d6b4a0f00030e3027b23c0269fb}{numberFractions}}.value();\ \textcolor{comment}{//\ Short\ circuit\ if\ we\ have\ cached\ the\ number\ fractions}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00447}00447\ \ \ \ \ \ \ \ \ std::vector<double>\ numberFractionVector;}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00450}00450\ \ \ \ \ \ \ \ \ numberFractionVector.reserve(\mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_aa05a640e0ea80142682bf4ee30a93c7f}{m\_molarAbundances}}.size());}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00451}00451\ \ \ \ \ \ \ \ \ speciesMass.reserve(\mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_aa05a640e0ea80142682bf4ee30a93c7f}{m\_molarAbundances}}.size());}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00453}00453\ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{for}\ (\textcolor{keyword}{const}\ \textcolor{keyword}{auto}\ \&species:\ \mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_aa05a640e0ea80142682bf4ee30a93c7f}{m\_molarAbundances}}\ |\ std::views::keys)\ \{}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00454}00454\ \ \ \ \ \ \ \ \ \ \ \ \ numberFractionVector.push\_back(\mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_a1f87ed64a1be9a6091c852131d24e476}{getNumberFraction}}(species));}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00455}00455\ \ \ \ \ \ \ \ \ \ \ \ \ speciesMass.push\_back(species.mass());}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00457}00457\ }
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00458}00458\ \ \ \ \ \ \ \ \ std::vector<double>\ numberFractions\ =\ sortVectorBy(numberFractionVector,\ speciesMass);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00459}00459\ \ \ \ \ \ \ \ \ \mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_a02cd9d9608da082a200fdfa86d14bf5d}{m\_cache}}.\mbox{\hyperlink{structfourdst_1_1composition_1_1Composition_1_1CompositionCache_a41ce9d6b4a0f00030e3027b23c0269fb}{numberFractions}}\ =\ numberFractions;\ \textcolor{comment}{//\ Cache\ the\ result}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00460}00460\ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{return}\ numberFractions;}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00463}\mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_abcb391f5fca2b636127e48e681e4c3ee}{00463}}\ \ \ \ \ std::vector<double>\ \mbox{\hyperlink{classfourdst_1_1composition_1_1Composition_abcb391f5fca2b636127e48e681e4c3ee}{Composition::getMolarAbundanceVector}}()\ const\ noexcept\ \{}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00661}00661\ \}\ \textcolor{comment}{//\ namespace\ fourdst::composition}}
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