753 lines
130 KiB
TeX
753 lines
130 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_l00047}00047\ \ \ \ \ \ \ \ \ LOG\_ERROR(logger,\ \textcolor{stringliteral}{"{}Symbol\ \{\}\ is\ not\ a\ valid\ species\ symbol\ (not\ in\ the\ species\ database)"{}},\ symbol);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00052}00052\ \ \ \ \ \ \ \ \ LOG\_ERROR(logger,\ \textcolor{stringliteral}{"{}Symbol\ \{\}\ is\ not\ registered\ in\ the\ composition."{}},\ symbol);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00053}00053\ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{throw}\ \mbox{\hyperlink{classfourdst_1_1composition_1_1exceptions_1_1_unregistered_symbol_error}{fourdst::composition::exceptions::UnregisteredSymbolError}}(\textcolor{stringliteral}{"{}Symbol\ "{}}\ +\ symbol\ +\ \textcolor{stringliteral}{"{}\ is\ not\ registered\ in\ the\ composition."{}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00138}00138\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ std::map<atomic::Species,\ double>\ \&speciesMolarAbundances}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00140}00140\ \ \ \ \ \ \ \ \ speciesMolarAbundances\ |\ std::views::keys\ |\ std::ranges::to<std::vector>(),}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00145}00145\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ std::vector<atomic::Species>\ \&species,}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00150}00150\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{throw}\ \mbox{\hyperlink{classfourdst_1_1composition_1_1exceptions_1_1_invalid_composition_error}{exceptions::InvalidCompositionError}}(\textcolor{stringliteral}{"{}The\ number\ of\ species\ and\ fractions\ must\ be\ equal.\ Got\ "{}}\ +\ std::to\_string(species.size())\ +\ \textcolor{stringliteral}{"{}\ species\ and\ "{}}\ +\ std::to\_string(molarAbundances.size())\ +\ \textcolor{stringliteral}{"{}\ fractions."{}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00153}00153\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keywordtype}{size\_t}\ numSpecies\ =\ species.size();}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00159}00159\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{if}\ (\_\_builtin\_expect(molarAbundances[i]\ <\ 0.0,\ 0))\ \{}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00160}00160\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ LOG\_CRITICAL(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a46a706f9e4c06a45b45ae3dffdde5e9e}{getLogger}}(),\ \textcolor{stringliteral}{"{}Molar\ abundance\ for\ species\ \{\}\ is\ negative\ (y\ =\ \{\}).\ Molar\ abundances\ must\ be\ non-\/negative."{}},\ species[i].name(),\ molarAbundances[i]);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00161}00161\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{throw}\ \mbox{\hyperlink{classfourdst_1_1composition_1_1exceptions_1_1_invalid_composition_error}{exceptions::InvalidCompositionError}}(\textcolor{stringliteral}{"{}Molar\ abundance\ for\ species\ "{}}\ +\ std::string(species[i].name())\ +\ \textcolor{stringliteral}{"{}\ is\ negative\ (y\ =\ "{}}\ +\ std::to\_string(molarAbundances[i])\ +\ \textcolor{stringliteral}{"{}).\ Molar\ abundances\ must\ be\ non-\/negative."{}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00166}00166\ \ \ \ \ \ \ \ \ \textcolor{keyword}{auto}\ combined\ =\ std::views::zip(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_aa0edc4976ccd24f2d9f6ad730f058b27}{m\_species}},\ \mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_ab2faabe2e64c587bda8106687f752479}{m\_molarAbundances}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00169}00169\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keyword}{auto}\&\ spA\ =\ std::get<0>(a);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00179}00179\ \ \ \ \ \ \ \ \ \textcolor{keyword}{auto}\ [first,\ last]\ =\ std::ranges::unique(combined,\ [](\textcolor{keyword}{const}\ \textcolor{keyword}{auto}\&\ a,\ \textcolor{keyword}{const}\ \textcolor{keyword}{auto}\&\ b)\ \{}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00227}00227\ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{return}\ std::make\_unique<Composition>(*\textcolor{keyword}{this});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00230}00230\ \ \ \ \ \textcolor{comment}{//-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00255}00255\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keyword}{auto}\ index\ =\ std::distance(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_aa0edc4976ccd24f2d9f6ad730f058b27}{m\_species}}.begin(),\ it);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00265}00265\ \ \ \ \ \ \ \ \ \textcolor{comment}{//\ We\ do\ not\ simply\ call\ registerSpecies(species)\ here\ as\ that\ would\ have\ a\ complexity\ of\ O(n\string^2)\ due\ to\ constantly}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00266}00266\ \ \ \ \ \ \ \ \ \textcolor{comment}{//\ reinserting\ into\ the\ vector.\ Rather\ we\ build\ the\ vector\ once\ and\ then\ sort\ it}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00279}00279\ \ \ \ \ \ \ \ \ \textcolor{keyword}{auto}\ combined\ =\ std::views::zip(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_aa0edc4976ccd24f2d9f6ad730f058b27}{m\_species}},\ \mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_ab2faabe2e64c587bda8106687f752479}{m\_molarAbundances}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00282}00282\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keyword}{auto}\&\ speciesA\ =\ std::get<0>(a);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00317}00317\ \ \ \ \ \textcolor{comment}{//-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00318}00318\ \ \ \ \ \textcolor{comment}{//\ Molar\ abundance\ setters}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00339}00339\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{throw}\ \mbox{\hyperlink{classfourdst_1_1composition_1_1exceptions_1_1_invalid_composition_error}{exceptions::InvalidCompositionError}}(\textcolor{stringliteral}{"{}Molar\ abundance\ must\ be\ non-\/negative,\ got\ "{}}\ +\ std::to\_string(molar\_abundance)\ +\ \textcolor{stringliteral}{"{}\ for\ symbol\ "{}}\ +\ std::string(species.\mbox{\hyperlink{structfourdst_1_1atomic_1_1_species_a1fcc01fc978b34ba2531117f10be6741}{name}}())\ +\ \textcolor{stringliteral}{"{}."{}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00342}00342\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ std::expected<std::ptrdiff\_t,\ SpeciesIndexLookupError>\ speciesIndexResult\ =\ \mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_aded88f0ad4a97eaae1e356fa8428cab5}{findSpeciesIndex}}(species);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00347}00347\ \ \ \ \ \ \ \ \ assert(\textcolor{keyword}{static\_cast<}\textcolor{keywordtype}{size\_t}\textcolor{keyword}{>}(speciesIndexResult.value())\ <\ \mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_ab2faabe2e64c587bda8106687f752479}{m\_molarAbundances}}.size());}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00350}00350\ \ \ \ \ \ \ \ \ \mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a02cd9d9608da082a200fdfa86d14bf5d}{m\_cache}}.clear();}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00360}00360\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ std::vector<std::string>\ \&symbols,}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00363}00363\ \ \ \ \ \ \ \ \ \mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a262d7133035d4e6f45daa81827abf5e7}{setMolarAbundance}}(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a3f013e33b8978baf81447e5bd177f38b}{symbolVectorToSpeciesVector}}(symbols),\ molar\_abundances);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00367}00367\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ std::set<std::string>\ \&symbols,}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00370}00370\ \ \ \ \ \ \ \ \ \mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a262d7133035d4e6f45daa81827abf5e7}{setMolarAbundance}}(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a3f013e33b8978baf81447e5bd177f38b}{symbolVectorToSpeciesVector}}(symbols\ |\ std::ranges::to<std::vector>()),\ molar\_abundances);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00374}00374\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ std::set<atomic::Species>\ \&species,}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00380}\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_ae908cda3a994292e2eb767fa476b666b}{00380}}\ \ \ \ \ \textcolor{keywordtype}{void}\ \mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a262d7133035d4e6f45daa81827abf5e7}{Composition::setMolarAbundance}}(}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00381}00381\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ std::vector<atomic::Species>\ \&species,}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00385}00385\ \ \ \ \ \ \ \ \ \ \ \ \ LOG\_CRITICAL(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a46a706f9e4c06a45b45ae3dffdde5e9e}{getLogger}}(),\ \textcolor{stringliteral}{"{}The\ number\ of\ species\ and\ molar\_abundances\ must\ be\ equal\ (got\ \{\}\ species\ and\ \{\}\ molar\_abundances)."{}},\ species.size(),\ molar\_abundances.size());}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00386}00386\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{throw}\ \mbox{\hyperlink{classfourdst_1_1composition_1_1exceptions_1_1_invalid_composition_error}{exceptions::InvalidCompositionError}}(\textcolor{stringliteral}{"{}The\ number\ of\ species\ and\ fractions\ must\ be\ equal.\ Got\ "{}}\ +\ std::to\_string(species.size())\ +\ \textcolor{stringliteral}{"{}\ species\ and\ "{}}\ +\ std::to\_string(molar\_abundances.size())\ +\ \textcolor{stringliteral}{"{}\ fractions."{}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00389}00389\ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{if}\ (species.empty())\ \textcolor{keywordflow}{return};}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00391}00391\ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{if}\ (species.size()\ ==\ \mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_aa0edc4976ccd24f2d9f6ad730f058b27}{m\_species}}.size())\ \{}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00394}00394\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{if}\ (\_\_builtin\_expect(y\ <\ 0.0,\ 0))\ \{}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00395}00395\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ LOG\_ERROR(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a46a706f9e4c06a45b45ae3dffdde5e9e}{getLogger}}(),\ \textcolor{stringliteral}{"{}Molar\ abundance\ must\ be\ non-\/negative.\ Instead\ got\ \{\}\ for\ species\ \{\}."{}},\ y,\ sp.name());}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00396}00396\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{throw}\ \mbox{\hyperlink{classfourdst_1_1composition_1_1exceptions_1_1_invalid_composition_error}{exceptions::InvalidCompositionError}}(\textcolor{stringliteral}{"{}Molar\ abundance\ must\ be\ non-\/negative.\ Instead\ got\ "{}}\ +\ std::to\_string(y)\ +\ \textcolor{stringliteral}{"{}\ for\ species\ "{}}\ +\ std::string(sp.name())\ +\ \textcolor{stringliteral}{"{}."{}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00397}00397\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00407}00407\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keywordtype}{double}\ y\ =\ molar\_abundances[i];}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00408}00408\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keyword}{auto}\&\ sp\ =\ species[i];}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00412}00412\ \ \ \ \ \ \ \ \ \ \ \ \ \}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00414}00414\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ std::expected<std::ptrdiff\_t,\ SpeciesIndexLookupError>\ speciesIndexResult\ =\ \mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_aded88f0ad4a97eaae1e356fa8428cab5}{findSpeciesIndex}}(sp);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00424}00424\ \ \ \ \ \ \ \ \ \mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a02cd9d9608da082a200fdfa86d14bf5d}{m\_cache}}.clear();}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00428}00428\ \ \ \ \ \textcolor{comment}{//-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00429}00429\ \ \ \ \ \textcolor{comment}{//\ Fraction\ and\ abundance\ getters}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00430}00430\ \ \ \ \ \textcolor{comment}{//-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00433}00433\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keyword}{auto}\ species\ =\ \mbox{\hyperlink{namespacefourdst_1_1composition_adcc2e4ca25ab7b93983730fc78f4deea}{getSpecies}}(symbol);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00448}00448\ \ \ \ \ \ \ \ \ \textcolor{keywordtype}{double}\ totalMass\ =\ 0;}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00449}00449\ \ \ \ \ \ \ \ \ \textcolor{keywordtype}{double}\ speciesMass\ =\ 0;}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00451}00451\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keywordtype}{double}\ contrib\ =\ y\ *\ sp.mass();}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00452}00452\ \ \ \ \ \ \ \ \ \ \ \ \ totalMass\ +=\ contrib;}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00457}00457\ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{return}\ speciesMass\ /\ totalMass;}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00582}00582\ \ \ \ \ \ \ \ \ \textcolor{comment}{//\ ReSharper\ disable\ once\ CppTooWideScopeInitStatement}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00583}00583\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keywordtype}{double}\ Z\ =\ 1.0\ -\/\ (canonicalComposition.\mbox{\hyperlink{structfourdst_1_1composition_1_1_canonical_composition_abe5b01574242f8eaabd00c3d653291f7}{X}}\ +\ canonicalComposition.\mbox{\hyperlink{structfourdst_1_1composition_1_1_canonical_composition_a93927bfccc5d2b3906565d092ed4f7f4}{Y}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00592}00592\ \ \ \ \ \textcolor{comment}{//-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00598}00598\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{return}\ \mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a02cd9d9608da082a200fdfa86d14bf5d}{m\_cache}}.massFractions.value();\ \textcolor{comment}{//\ Short\ circuit\ if\ we\ have\ cached\ the\ mass\ fractions}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00603}00603\ \ \ \ \ \ \ \ \ massFractionVector.reserve(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_ab2faabe2e64c587bda8106687f752479}{m\_molarAbundances}}.size());}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00621}00621\ \ \ \ \ \ \ \ \ numberFractionVector.reserve(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_ab2faabe2e64c587bda8106687f752479}{m\_molarAbundances}}.size());}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00624}00624\ \ \ \ \ \ \ \ \ \ \ \ \ numberFractionVector.push\_back(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a1f87ed64a1be9a6091c852131d24e476}{getNumberFraction}}(\mbox{\hyperlink{namespacefourdst_1_1atomic_a3f619cc8f8b2cd718a4082c6adb0de90}{species}}));}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00635}00635\ \ \ \ \ \textcolor{comment}{//-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/-\/}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00640}00640\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ std::string\ \&symbol}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00643}00643\ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{if}\ (!\mbox{\hyperlink{namespacefourdst_1_1atomic_a3f619cc8f8b2cd718a4082c6adb0de90}{species}})\ \{}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00644}00644\ \ \ \ \ \ \ \ \ \ \ \ \ throw\_unknown\_symbol(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a46a706f9e4c06a45b45ae3dffdde5e9e}{getLogger}}(),\ symbol);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00661}00661\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keywordflow}{throw}\ std::logic\_error(\textcolor{stringliteral}{"{}Unhandled\ SpeciesIndexLookupError\ in\ Composition::getSpeciesIndex"{}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00704}00704\ \ \ \ \ \ \ \ \ \ \ \ \ throw\_unknown\_symbol(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_a46a706f9e4c06a45b45ae3dffdde5e9e}{getLogger}}(),\ symbol);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00716}00716\ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keyword}{auto}\ it\ =\ std::ranges::lower\_bound(\mbox{\hyperlink{classfourdst_1_1composition_1_1_composition_aa0edc4976ccd24f2d9f6ad730f058b27}{m\_species}},\ \mbox{\hyperlink{namespacefourdst_1_1atomic_a3f619cc8f8b2cd718a4082c6adb0de90}{species}});}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00731}00731\ \ \ \ \ \ \ \ \ \ \ \ \ \textcolor{keyword}{const}\ \textcolor{keyword}{auto}\ speciesResult\ =\ \mbox{\hyperlink{namespacefourdst_1_1composition_adcc2e4ca25ab7b93983730fc78f4deea}{getSpecies}}(symbol);}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00757}00757\ \ \ \ \ \ \ \ \ \ \ \ \ count++;}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00758}00758\ \ \ \ \ \ \ \ \ \}}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00759}00759\ \ \ \ \ \ \ \ \ os\ <<\ \textcolor{stringliteral}{"{}])"{}};}
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\DoxyCodeLine{\Hypertarget{composition_8cpp_source_l00763}00763\ \}\ \textcolor{comment}{//\ namespace\ fourdst::composition}}
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