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< div id = "projectbrief" > Robust atomic species information library< / div >
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< a href = "composition_8cpp.html" > Go to the documentation of this file.< / a > < div class = "fragment" > < div class = "line" > < a id = "l00001" name = "l00001" > < / a > < span class = "lineno" > 1< / span > < span class = "comment" > /* ***********************************************************************< / span > < / div >
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< div class = "line" > < a id = "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 >
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< div class = "line" > < a id = "l00021" name = "l00021" > < / a > < span class = "lineno" > 21< / span > < span class = "preprocessor" > #include " quill/LogMacros.h" < / span > < / div >
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< div class = "line" > < a id = "l00025" name = "l00025" > < / a > < span class = "lineno" > 25< / span > < span class = "preprocessor" > #include < vector> < / span > < / div >
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< div class = "line" > < a id = "l00026" name = "l00026" > < / a > < span class = "lineno" > 26< / span > < span class = "preprocessor" > #include < ranges> < / span > < / div >
< div class = "line" > < a id = "l00027" name = "l00027" > < / a > < span class = "lineno" > 27< / span > < span class = "preprocessor" > #include < algorithm> < / span > < / div >
< div class = "line" > < a id = "l00028" name = "l00028" > < / a > < span class = "lineno" > 28< / span > < span class = "preprocessor" > #include < set> < / span > < / div >
< div class = "line" > < a id = "l00029" name = "l00029" > < / a > < span class = "lineno" > 29< / span > < span class = "preprocessor" > #include < string> < / span > < / div >
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< div class = "line" > < a id = "l00034" name = "l00034" > < / a > < span class = "lineno" > 34< / span > < span class = "preprocessor" > #include " < a class = "code" href = "atomicSpecies_8h.html" > fourdst/atomic/atomicSpecies.h< / a > " < / span > < / div >
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< div class = "line" > < a id = "l00035" name = "l00035" > < / a > < span class = "lineno" > 35< / span > < span class = "preprocessor" > #include " < a class = "code" href = "species_8h.html" > fourdst/atomic/species.h< / a > " < / span > < / div >
< div class = "line" > < a id = "l00036" name = "l00036" > < / a > < span class = "lineno" > 36< / span > < span class = "preprocessor" > #include " < a class = "code" href = "composition_8h.html" > fourdst/composition/composition.h< / a > " < / span > < / div >
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< div class = "line" > < a id = "l00038" name = "l00038" > < / a > < span class = "lineno" > 38< / span > < span class = "preprocessor" > #include " < a class = "code" href = "exceptions__composition_8h.html" > fourdst/composition/exceptions/exceptions_composition.h< / a > " < / span > < / div >
< div class = "line" > < a id = "l00039" name = "l00039" > < / a > < span class = "lineno" > 39< / span > < / div >
< div class = "line" > < a id = "l00040" name = "l00040" > < / a > < span class = "lineno" > 40< / span > < span class = "keyword" > namespace < / span > {< / div >
< div class = "line" > < a id = "l00041" name = "l00041" > < / a > < span class = "lineno" > 41< / span > < span class = "keyword" > template< / span > < < span class = "keyword" > typename< / span > A, < span class = "keyword" > typename< / span > B> < / div >
< div class = "line" > < a id = "l00042" name = "l00042" > < / a > < span class = "lineno" > 42< / span > std::vector< A> sortVectorBy(< / div >
< div class = "line" > < a id = "l00043" name = "l00043" > < / a > < span class = "lineno" > 43< / span > std::vector< A> toSort,< / div >
< div class = "line" > < a id = "l00044" name = "l00044" > < / a > < span class = "lineno" > 44< / span > < span class = "keyword" > const< / span > std::vector< B> & by< / div >
< div class = "line" > < a id = "l00045" name = "l00045" > < / a > < span class = "lineno" > 45< / span > ) {< / div >
< div class = "line" > < a id = "l00046" name = "l00046" > < / a > < span class = "lineno" > 46< / span > std::vector< std::size_t> indices(by.size());< / div >
< div class = "line" > < a id = "l00047" name = "l00047" > < / a > < span class = "lineno" > 47< / span > < span class = "keywordflow" > for< / span > (< span class = "keywordtype" > size_t< / span > i = 0; i < indices.size(); i++) {< / div >
< div class = "line" > < a id = "l00048" name = "l00048" > < / a > < span class = "lineno" > 48< / span > indices[i] = i;< / div >
< div class = "line" > < a id = "l00049" name = "l00049" > < / a > < span class = "lineno" > 49< / span > }< / div >
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< div class = "line" > < a id = "l00051" name = "l00051" > < / a > < span class = "lineno" > 51< / span > std::ranges::sort(indices, [& ](< span class = "keywordtype" > size_t< / span > a, < span class = "keywordtype" > size_t< / span > b) {< / div >
< div class = "line" > < a id = "l00052" name = "l00052" > < / a > < span class = "lineno" > 52< / span > < span class = "keywordflow" > return< / span > by[a] < by[b];< / div >
< div class = "line" > < a id = "l00053" name = "l00053" > < / a > < span class = "lineno" > 53< / span > });< / div >
< div class = "line" > < a id = "l00054" name = "l00054" > < / a > < span class = "lineno" > 54< / span > < / div >
< div class = "line" > < a id = "l00055" name = "l00055" > < / a > < span class = "lineno" > 55< / span > std::vector< A> sorted;< / div >
< div class = "line" > < a id = "l00056" name = "l00056" > < / a > < span class = "lineno" > 56< / span > sorted.reserve(indices.size());< / div >
< div class = "line" > < a id = "l00057" name = "l00057" > < / a > < span class = "lineno" > 57< / span > < / div >
< div class = "line" > < a id = "l00058" name = "l00058" > < / a > < span class = "lineno" > 58< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > idx: indices) {< / div >
< div class = "line" > < a id = "l00059" name = "l00059" > < / a > < span class = "lineno" > 59< / span > sorted.push_back(toSort[idx]);< / div >
< div class = "line" > < a id = "l00060" name = "l00060" > < / a > < span class = "lineno" > 60< / span > }< / div >
< div class = "line" > < a id = "l00061" name = "l00061" > < / a > < span class = "lineno" > 61< / span > < / div >
< div class = "line" > < a id = "l00062" name = "l00062" > < / a > < span class = "lineno" > 62< / span > < span class = "keywordflow" > return< / span > sorted;< / div >
< div class = "line" > < a id = "l00063" name = "l00063" > < / a > < span class = "lineno" > 63< / span > }< / div >
< div class = "line" > < a id = "l00064" name = "l00064" > < / a > < span class = "lineno" > 64< / span > < / div >
< div class = "line" > < a id = "l00065" name = "l00065" > < / a > < span class = "lineno" > 65< / span > std::optional< fourdst::atomic::Species> getSpecies(< span class = "keyword" > const< / span > std::string& symbol) {< / div >
< div class = "line" > < a id = "l00066" name = "l00066" > < / a > < span class = "lineno" > 66< / span > < span class = "keywordflow" > if< / span > (!< a class = "code hl_variable" href = "namespacefourdst_1_1atomic.html#a3f619cc8f8b2cd718a4082c6adb0de90" > fourdst::atomic::species< / a > .contains(symbol)) {< / div >
< div class = "line" > < a id = "l00067" name = "l00067" > < / a > < span class = "lineno" > 67< / span > < span class = "keywordflow" > return< / span > std::nullopt;< / div >
< div class = "line" > < a id = "l00068" name = "l00068" > < / a > < span class = "lineno" > 68< / span > }< / div >
< div class = "line" > < a id = "l00069" name = "l00069" > < / a > < span class = "lineno" > 69< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_variable" href = "namespacefourdst_1_1atomic.html#a3f619cc8f8b2cd718a4082c6adb0de90" > fourdst::atomic::species< / a > .at(symbol);< / div >
< div class = "line" > < a id = "l00070" name = "l00070" > < / a > < span class = "lineno" > 70< / span > }< / div >
< div class = "line" > < a id = "l00071" name = "l00071" > < / a > < span class = "lineno" > 71< / span > < / div >
< div class = "line" > < a id = "l00072" name = "l00072" > < / a > < span class = "lineno" > 72< / span > < span class = "keywordtype" > void< / span > throw_unknown_symbol(quill::Logger* logger, < span class = "keyword" > const< / span > std::string& symbol) {< / div >
< div class = "line" > < a id = "l00073" name = "l00073" > < / a > < span class = "lineno" > 73< / span > LOG_ERROR(logger, < span class = "stringliteral" > " Symbol {} is not a valid species symbol (not in the species database)" < / span > , symbol);< / div >
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< div class = "line" > < a id = "l00074" name = "l00074" > < / a > < span class = "lineno" > 74< / span > < span class = "keywordflow" > throw< / span > < a class = "code hl_class" href = "classfourdst_1_1composition_1_1exceptions_1_1UnknownSymbolError.html" > fourdst::composition::exceptions::UnknownSymbolError< / a > (< span class = "stringliteral" > " Symbol " < / span > + symbol + < span class = "stringliteral" > " is not a valid species symbol (not in the species database)" < / span > );< / div >
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< div class = "line" > < a id = "l00075" name = "l00075" > < / a > < span class = "lineno" > 75< / span > }< / div >
< div class = "line" > < a id = "l00076" name = "l00076" > < / a > < span class = "lineno" > 76< / span > < / div >
< div class = "line" > < a id = "l00077" name = "l00077" > < / a > < span class = "lineno" > 77< / span > < span class = "keywordtype" > void< / span > throw_unregistered_symbol(quill::Logger* logger, < span class = "keyword" > const< / span > std::string& symbol) {< / div >
< div class = "line" > < a id = "l00078" name = "l00078" > < / a > < span class = "lineno" > 78< / span > LOG_ERROR(logger, < span class = "stringliteral" > " Symbol {} is not registered in the composition." < / span > , symbol);< / div >
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< div class = "line" > < a id = "l00079" name = "l00079" > < / a > < span class = "lineno" > 79< / span > < span class = "keywordflow" > throw< / span > < a class = "code hl_class" href = "classfourdst_1_1composition_1_1exceptions_1_1UnregisteredSymbolError.html" > fourdst::composition::exceptions::UnregisteredSymbolError< / a > (< span class = "stringliteral" > " Symbol " < / span > + symbol + < span class = "stringliteral" > " is not registered in the composition." < / span > );< / div >
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< div class = "line" > < a id = "l00083" name = "l00083" > < / a > < span class = "lineno" > 83< / span > < span class = "keyword" > namespace < / span > < a class = "code hl_namespace" href = "namespacefourdst_1_1composition.html" > fourdst::composition< / a > {< / div >
< div class = "foldopen" id = "foldopen00084" data-start = "{" data-end = "}" >
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< div class = "line" > < a id = "l00084" name = "l00084" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#ae3cc2099efd7db8eec3d9af2294b75fa" > 84< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< / div >
2025-11-08 06:42:51 -05:00
< div class = "line" > < a id = "l00085" name = "l00085" > < / a > < span class = "lineno" > 85< / span > < span class = "keyword" > const< / span > std::vector< std::string> & symbols< / div >
< div class = "line" > < a id = "l00086" name = "l00086" > < / a > < span class = "lineno" > 86< / span > ) {< / div >
< div class = "line" > < a id = "l00087" name = "l00087" > < / a > < span class = "lineno" > 87< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & symbol : symbols) {< / div >
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< div class = "line" > < a id = "l00088" name = "l00088" > < / a > < span class = "lineno" > 88< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725" > registerSymbol< / a > (symbol);< / div >
2025-10-12 10:22:43 -04:00
< div class = "line" > < a id = "l00089" name = "l00089" > < / a > < span class = "lineno" > 89< / span > }< / div >
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< div class = "line" > < a id = "l00090" name = "l00090" > < / a > < span class = "lineno" > 90< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00091" name = "l00091" > < / a > < span class = "lineno" > 91< / span > < / div >
< div class = "foldopen" id = "foldopen00092" data-start = "{" data-end = "}" >
2025-11-27 17:47:38 -05:00
< div class = "line" > < a id = "l00092" name = "l00092" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a2d6fbe5c8142b358641bbe7ffde51053" > 92< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< / div >
2025-11-08 06:42:51 -05:00
< div class = "line" > < a id = "l00093" name = "l00093" > < / a > < span class = "lineno" > 93< / span > < span class = "keyword" > const< / span > std::set< std::string> & symbols< / div >
< div class = "line" > < a id = "l00094" name = "l00094" > < / a > < span class = "lineno" > 94< / span > ) {< / div >
< div class = "line" > < a id = "l00095" name = "l00095" > < / a > < span class = "lineno" > 95< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & symbol : symbols) {< / div >
2025-11-27 17:47:38 -05:00
< div class = "line" > < a id = "l00096" name = "l00096" > < / a > < span class = "lineno" > 96< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725" > registerSymbol< / a > (symbol);< / div >
2025-11-08 06:42:51 -05:00
< div class = "line" > < a id = "l00097" name = "l00097" > < / a > < span class = "lineno" > 97< / span > }< / div >
< div class = "line" > < a id = "l00098" name = "l00098" > < / a > < span class = "lineno" > 98< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00099" name = "l00099" > < / a > < span class = "lineno" > 99< / span > < / div >
< div class = "foldopen" id = "foldopen00100" data-start = "{" data-end = "}" >
2025-11-27 17:47:38 -05:00
< div class = "line" > < a id = "l00100" name = "l00100" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#afa95dddfa88a101ad6ce261295a4460c" > 100< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< / div >
2025-11-08 06:42:51 -05:00
< div class = "line" > < a id = "l00101" name = "l00101" > < / a > < span class = "lineno" > 101< / span > < span class = "keyword" > const< / span > std::vector< atomic::Species> & species< / div >
< div class = "line" > < a id = "l00102" name = "l00102" > < / a > < span class = "lineno" > 102< / span > ) {< / div >
< div class = "line" > < a id = "l00103" name = "l00103" > < / a > < span class = "lineno" > 103< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & s : species) {< / div >
2025-11-27 17:47:38 -05:00
< div class = "line" > < a id = "l00104" name = "l00104" > < / a > < span class = "lineno" > 104< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a392a34c19f45d6c936cc7030e6cfaf3f" > registerSpecies< / a > (s);< / div >
2025-10-12 10:22:43 -04:00
< div class = "line" > < a id = "l00105" name = "l00105" > < / a > < span class = "lineno" > 105< / span > }< / div >
2025-11-08 06:42:51 -05:00
< div class = "line" > < a id = "l00106" name = "l00106" > < / a > < span class = "lineno" > 106< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00107" name = "l00107" > < / a > < span class = "lineno" > 107< / span > < / div >
< div class = "foldopen" id = "foldopen00108" data-start = "{" data-end = "}" >
2025-11-27 17:47:38 -05:00
< div class = "line" > < a id = "l00108" name = "l00108" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a7d19fb3326e51c8fc8db5e0738e97d95" > 108< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< / div >
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< div class = "line" > < a id = "l00109" name = "l00109" > < / a > < span class = "lineno" > 109< / span > < span class = "keyword" > const< / span > std::set< atomic::Species> & species< / div >
< div class = "line" > < a id = "l00110" name = "l00110" > < / a > < span class = "lineno" > 110< / span > ) {< / div >
< div class = "line" > < a id = "l00111" name = "l00111" > < / a > < span class = "lineno" > 111< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & s : species) {< / div >
2025-11-27 17:47:38 -05:00
< div class = "line" > < a id = "l00112" name = "l00112" > < / a > < span class = "lineno" > 112< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a392a34c19f45d6c936cc7030e6cfaf3f" > registerSpecies< / a > (s);< / div >
2025-10-12 10:22:43 -04:00
< div class = "line" > < a id = "l00113" name = "l00113" > < / a > < span class = "lineno" > 113< / span > }< / div >
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< div class = "line" > < a id = "l00114" name = "l00114" > < / a > < span class = "lineno" > 114< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00115" name = "l00115" > < / a > < span class = "lineno" > 115< / span > < / div >
< div class = "foldopen" id = "foldopen00116" data-start = "{" data-end = "}" >
2025-11-27 17:47:38 -05:00
< div class = "line" > < a id = "l00116" name = "l00116" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#aae910b7824058f70b96460425a637837" > 116< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< span class = "keyword" > const< / span > std::unordered_set< std::string> & symbols) {< / div >
< div class = "line" > < a id = "l00117" name = "l00117" > < / a > < span class = "lineno" > 117< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & symbol : symbols) {< / div >
< div class = "line" > < a id = "l00118" name = "l00118" > < / a > < span class = "lineno" > 118< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725" > registerSymbol< / a > (symbol);< / div >
< div class = "line" > < a id = "l00119" name = "l00119" > < / a > < span class = "lineno" > 119< / span > }< / div >
< div class = "line" > < a id = "l00120" name = "l00120" > < / a > < span class = "lineno" > 120< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00121" name = "l00121" > < / a > < span class = "lineno" > 121< / span > < / div >
< div class = "foldopen" id = "foldopen00122" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00122" name = "l00122" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a8e7f19488c52c8aba1d7e488688ced7f" > 122< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< span class = "keyword" > const< / span > std::unordered_set< atomic::Species> & species) {< / div >
< div class = "line" > < a id = "l00123" name = "l00123" > < / a > < span class = "lineno" > 123< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & s : species) {< / div >
< div class = "line" > < a id = "l00124" name = "l00124" > < / a > < span class = "lineno" > 124< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a392a34c19f45d6c936cc7030e6cfaf3f" > registerSpecies< / a > (s);< / div >
< div class = "line" > < a id = "l00125" name = "l00125" > < / a > < span class = "lineno" > 125< / span > }< / div >
< div class = "line" > < a id = "l00126" name = "l00126" > < / a > < span class = "lineno" > 126< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00127" name = "l00127" > < / a > < span class = "lineno" > 127< / span > < / div >
< div class = "foldopen" id = "foldopen00128" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00128" name = "l00128" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a0b3c93ce7c9473ac4aa4c9ee04f78051" > 128< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< / div >
< div class = "line" > < a id = "l00129" name = "l00129" > < / a > < span class = "lineno" > 129< / span > < span class = "keyword" > const< / span > std::vector< std::string> & symbols,< / div >
< div class = "line" > < a id = "l00130" name = "l00130" > < / a > < span class = "lineno" > 130< / span > < span class = "keyword" > const< / span > std::vector< double> & molarAbundances< / div >
< div class = "line" > < a id = "l00131" name = "l00131" > < / a > < span class = "lineno" > 131< / span > ) {< / div >
< div class = "line" > < a id = "l00132" name = "l00132" > < / a > < span class = "lineno" > 132< / span > < span class = "keywordflow" > if< / span > (symbols.size() != molarAbundances.size()) {< / div >
< div class = "line" > < a id = "l00133" name = "l00133" > < / a > < span class = "lineno" > 133< / span > LOG_CRITICAL(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), < span class = "stringliteral" > " The number of symbols and molarAbundances must be equal (got {} symbols and {} molarAbundances)." < / span > , symbols.size(), molarAbundances.size());< / div >
< div class = "line" > < a id = "l00134" name = "l00134" > < / a > < span class = "lineno" > 134< / span > < span class = "keywordflow" > throw< / span > < a class = "code hl_class" href = "classfourdst_1_1composition_1_1exceptions_1_1InvalidCompositionError.html" > exceptions::InvalidCompositionError< / a > (< span class = "stringliteral" > " The number of symbols and fractions must be equal. Got " < / span > + std::to_string(symbols.size()) + < span class = "stringliteral" > " symbols and " < / span > + std::to_string(molarAbundances.size()) + < span class = "stringliteral" > " fractions." < / span > );< / div >
< div class = "line" > < a id = "l00135" name = "l00135" > < / a > < span class = "lineno" > 135< / span > }< / div >
< div class = "line" > < a id = "l00136" name = "l00136" > < / a > < span class = "lineno" > 136< / span > < / div >
< div class = "line" > < a id = "l00137" name = "l00137" > < / a > < span class = "lineno" > 137< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [symbol, y] : std::views::zip(symbols, molarAbundances)) {< / div >
< div class = "line" > < a id = "l00138" name = "l00138" > < / a > < span class = "lineno" > 138< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725" > registerSymbol< / a > (symbol);< / div >
< div class = "line" > < a id = "l00139" name = "l00139" > < / a > < span class = "lineno" > 139< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > setMolarAbundance< / a > (symbol, y);< / div >
< div class = "line" > < a id = "l00140" name = "l00140" > < / a > < span class = "lineno" > 140< / span > }< / div >
< div class = "line" > < a id = "l00141" name = "l00141" > < / a > < span class = "lineno" > 141< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00142" name = "l00142" > < / a > < span class = "lineno" > 142< / span > < / div >
< div class = "foldopen" id = "foldopen00143" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00143" name = "l00143" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a7f0798b3f1191561b38f336406acf62a" > 143< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< / div >
< div class = "line" > < a id = "l00144" name = "l00144" > < / a > < span class = "lineno" > 144< / span > < span class = "keyword" > const< / span > std::vector< atomic::Species> & species,< / div >
< div class = "line" > < a id = "l00145" name = "l00145" > < / a > < span class = "lineno" > 145< / span > < span class = "keyword" > const< / span > std::vector< double> & molarAbundances< / div >
< div class = "line" > < a id = "l00146" name = "l00146" > < / a > < span class = "lineno" > 146< / span > ) {< / div >
< div class = "line" > < a id = "l00147" name = "l00147" > < / a > < span class = "lineno" > 147< / span > < span class = "keywordflow" > if< / span > (species.size() != molarAbundances.size()) {< / div >
< div class = "line" > < a id = "l00148" name = "l00148" > < / a > < span class = "lineno" > 148< / span > LOG_CRITICAL(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), < span class = "stringliteral" > " The number of species and molarAbundances must be equal (got {} species and {} molarAbundances)." < / span > , species.size(), molarAbundances.size());< / div >
< div class = "line" > < a id = "l00149" name = "l00149" > < / a > < span class = "lineno" > 149< / span > < span class = "keywordflow" > throw< / span > < a class = "code hl_class" href = "classfourdst_1_1composition_1_1exceptions_1_1InvalidCompositionError.html" > exceptions::InvalidCompositionError< / a > (< span class = "stringliteral" > " The number of species and fractions must be equal. Got " < / span > + std::to_string(species.size()) + < span class = "stringliteral" > " species and " < / span > + std::to_string(molarAbundances.size()) + < span class = "stringliteral" > " fractions." < / span > );< / div >
< div class = "line" > < a id = "l00150" name = "l00150" > < / a > < span class = "lineno" > 150< / span > }< / div >
< div class = "line" > < a id = "l00151" name = "l00151" > < / a > < span class = "lineno" > 151< / span > < / div >
< div class = "line" > < a id = "l00152" name = "l00152" > < / a > < span class = "lineno" > 152< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [s, y] : std::views::zip(species, molarAbundances)) {< / div >
< div class = "line" > < a id = "l00153" name = "l00153" > < / a > < span class = "lineno" > 153< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a392a34c19f45d6c936cc7030e6cfaf3f" > registerSpecies< / a > (s);< / div >
< div class = "line" > < a id = "l00154" name = "l00154" > < / a > < span class = "lineno" > 154< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > setMolarAbundance< / a > (s, y);< / div >
< div class = "line" > < a id = "l00155" name = "l00155" > < / a > < span class = "lineno" > 155< / span > }< / div >
< div class = "line" > < a id = "l00156" name = "l00156" > < / a > < span class = "lineno" > 156< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00157" name = "l00157" > < / a > < span class = "lineno" > 157< / span > < / div >
< div class = "foldopen" id = "foldopen00158" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00158" name = "l00158" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#ad6cdb28598267743f236d053cd5a62ae" > 158< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< / div >
< div class = "line" > < a id = "l00159" name = "l00159" > < / a > < span class = "lineno" > 159< / span > < span class = "keyword" > const< / span > std::set< std::string> & symbols,< / div >
< div class = "line" > < a id = "l00160" name = "l00160" > < / a > < span class = "lineno" > 160< / span > < span class = "keyword" > const< / span > std::vector< double> & molarAbundances< / div >
< div class = "line" > < a id = "l00161" name = "l00161" > < / a > < span class = "lineno" > 161< / span > ) {< / div >
< div class = "line" > < a id = "l00162" name = "l00162" > < / a > < span class = "lineno" > 162< / span > < span class = "keywordflow" > if< / span > (symbols.size() != molarAbundances.size()) {< / div >
< div class = "line" > < a id = "l00163" name = "l00163" > < / a > < span class = "lineno" > 163< / span > LOG_CRITICAL(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), < span class = "stringliteral" > " The number of symbols and molarAbundances must be equal (got {} symbols and {} molarAbundances)." < / span > , symbols.size(), molarAbundances.size());< / div >
< div class = "line" > < a id = "l00164" name = "l00164" > < / a > < span class = "lineno" > 164< / span > < span class = "keywordflow" > throw< / span > < a class = "code hl_class" href = "classfourdst_1_1composition_1_1exceptions_1_1InvalidCompositionError.html" > exceptions::InvalidCompositionError< / a > (< span class = "stringliteral" > " The number of symbols and fractions must be equal. Got " < / span > + std::to_string(symbols.size()) + < span class = "stringliteral" > " symbols and " < / span > + std::to_string(molarAbundances.size()) + < span class = "stringliteral" > " fractions." < / span > );< / div >
< div class = "line" > < a id = "l00165" name = "l00165" > < / a > < span class = "lineno" > 165< / span > }< / div >
< div class = "line" > < a id = "l00166" name = "l00166" > < / a > < span class = "lineno" > 166< / span > < / div >
< div class = "line" > < a id = "l00167" name = "l00167" > < / a > < span class = "lineno" > 167< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [symbol, y] : std::views::zip(sortVectorBy< std::string> (std::vector< std::string> (symbols.begin(), symbols.end()), molarAbundances), molarAbundances)) {< / div >
< div class = "line" > < a id = "l00168" name = "l00168" > < / a > < span class = "lineno" > 168< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725" > registerSymbol< / a > (symbol);< / div >
< div class = "line" > < a id = "l00169" name = "l00169" > < / a > < span class = "lineno" > 169< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > setMolarAbundance< / a > (symbol, y);< / div >
< div class = "line" > < a id = "l00170" name = "l00170" > < / a > < span class = "lineno" > 170< / span > }< / div >
< div class = "line" > < a id = "l00171" name = "l00171" > < / a > < span class = "lineno" > 171< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00172" name = "l00172" > < / a > < span class = "lineno" > 172< / span > < / div >
< div class = "foldopen" id = "foldopen00173" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00173" name = "l00173" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a1e5e0bd7cf77d5cf260c94418612bb36" > 173< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< span class = "keyword" > const< / span > std::unordered_map< std::string, double> & symbolMolarAbundances) {< / div >
< div class = "line" > < a id = "l00174" name = "l00174" > < / a > < span class = "lineno" > 174< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [symbol, y] : symbolMolarAbundances) {< / div >
< div class = "line" > < a id = "l00175" name = "l00175" > < / a > < span class = "lineno" > 175< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725" > registerSymbol< / a > (symbol);< / div >
< div class = "line" > < a id = "l00176" name = "l00176" > < / a > < span class = "lineno" > 176< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > setMolarAbundance< / a > (symbol, y);< / div >
< div class = "line" > < a id = "l00177" name = "l00177" > < / a > < span class = "lineno" > 177< / span > }< / div >
< div class = "line" > < a id = "l00178" name = "l00178" > < / a > < span class = "lineno" > 178< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00179" name = "l00179" > < / a > < span class = "lineno" > 179< / span > < / div >
< div class = "foldopen" id = "foldopen00180" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00180" name = "l00180" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a5d3fe0a5d2c6aeae667d4e3894b0ee3b" > 180< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< span class = "keyword" > const< / span > std::map< std::string, double> & symbolMolarAbundances) {< / div >
< div class = "line" > < a id = "l00181" name = "l00181" > < / a > < span class = "lineno" > 181< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [symbol, y] : symbolMolarAbundances) {< / div >
< div class = "line" > < a id = "l00182" name = "l00182" > < / a > < span class = "lineno" > 182< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725" > registerSymbol< / a > (symbol);< / div >
< div class = "line" > < a id = "l00183" name = "l00183" > < / a > < span class = "lineno" > 183< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > setMolarAbundance< / a > (symbol, y);< / div >
2025-11-08 06:42:51 -05:00
< div class = "line" > < a id = "l00184" name = "l00184" > < / a > < span class = "lineno" > 184< / span > }< / div >
2025-11-27 17:47:38 -05:00
< div class = "line" > < a id = "l00185" name = "l00185" > < / a > < span class = "lineno" > 185< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00186" name = "l00186" > < / a > < span class = "lineno" > 186< / span > < / div >
< div class = "foldopen" id = "foldopen00187" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00187" name = "l00187" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a321598f3b8bb4c58992d09a90ea3079b" > 187< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< span class = "keyword" > const< / span > std::unordered_map< atomic::Species, double> & speciesMolarAbundances) {< / div >
< div class = "line" > < a id = "l00188" name = "l00188" > < / a > < span class = "lineno" > 188< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [species, y] : speciesMolarAbundances) {< / div >
< div class = "line" > < a id = "l00189" name = "l00189" > < / a > < span class = "lineno" > 189< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a392a34c19f45d6c936cc7030e6cfaf3f" > registerSpecies< / a > (species);< / div >
< div class = "line" > < a id = "l00190" name = "l00190" > < / a > < span class = "lineno" > 190< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > setMolarAbundance< / a > (species, y);< / div >
< div class = "line" > < a id = "l00191" name = "l00191" > < / a > < span class = "lineno" > 191< / span > }< / div >
< div class = "line" > < a id = "l00192" name = "l00192" > < / a > < span class = "lineno" > 192< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00193" name = "l00193" > < / a > < span class = "lineno" > 193< / span > < / div >
< div class = "foldopen" id = "foldopen00194" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00194" name = "l00194" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a8a371588eaa38c8d54b4baec2a594fc2" > 194< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< span class = "keyword" > const< / span > std::map< atomic::Species, double> & speciesMolarAbundances) {< / div >
< div class = "line" > < a id = "l00195" name = "l00195" > < / a > < span class = "lineno" > 195< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [species, y] : speciesMolarAbundances) {< / div >
< div class = "line" > < a id = "l00196" name = "l00196" > < / a > < span class = "lineno" > 196< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a392a34c19f45d6c936cc7030e6cfaf3f" > registerSpecies< / a > (species);< / div >
< div class = "line" > < a id = "l00197" name = "l00197" > < / a > < span class = "lineno" > 197< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > setMolarAbundance< / a > (species, y);< / div >
< div class = "line" > < a id = "l00198" name = "l00198" > < / a > < span class = "lineno" > 198< / span > }< / div >
< div class = "line" > < a id = "l00199" name = "l00199" > < / a > < span class = "lineno" > 199< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00200" name = "l00200" > < / a > < span class = "lineno" > 200< / span > < / div >
< div class = "foldopen" id = "foldopen00201" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00201" name = "l00201" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a21369a80378d4c90438a34f0e4a275ca" > 201< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< / div >
< div class = "line" > < a id = "l00202" name = "l00202" > < / a > < span class = "lineno" > 202< / span > < span class = "keyword" > const< / span > < a class = "code hl_class" href = "classfourdst_1_1composition_1_1Composition.html" > Composition< / a > & composition< / div >
< div class = "line" > < a id = "l00203" name = "l00203" > < / a > < span class = "lineno" > 203< / span > ) {< / div >
< div class = "line" > < a id = "l00204" name = "l00204" > < / a > < span class = "lineno" > 204< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > m_registeredSpecies< / a > = composition.< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > m_registeredSpecies< / a > ;< / div >
< div class = "line" > < a id = "l00205" name = "l00205" > < / a > < span class = "lineno" > 205< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > = composition.< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > ;< / div >
< div class = "line" > < a id = "l00206" name = "l00206" > < / a > < span class = "lineno" > 206< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00207" name = "l00207" > < / a > < span class = "lineno" > 207< / span > < / div >
< div class = "foldopen" id = "foldopen00208" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00208" name = "l00208" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a11e281872b4047e5c757923f2b0682cf" > 208< / a > < / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > Composition::Composition< / a > (< span class = "keyword" > const< / span > < a class = "code hl_class" href = "classfourdst_1_1composition_1_1CompositionAbstract.html" > CompositionAbstract< / a > & composition) {< / div >
< div class = "line" > < a id = "l00209" name = "l00209" > < / a > < span class = "lineno" > 209< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & species : composition.< a class = "code hl_function" href = "classfourdst_1_1composition_1_1CompositionAbstract.html#a7e17ffec871ac543624a4b0eee147cc2" > getRegisteredSpecies< / a > ()) {< / div >
< div class = "line" > < a id = "l00210" name = "l00210" > < / a > < span class = "lineno" > 210< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a392a34c19f45d6c936cc7030e6cfaf3f" > registerSpecies< / a > (species);< / div >
< div class = "line" > < a id = "l00211" name = "l00211" > < / a > < span class = "lineno" > 211< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > setMolarAbundance< / a > (species, composition.< a class = "code hl_function" href = "classfourdst_1_1composition_1_1CompositionAbstract.html#a29613d8197cee96f764aeeaa3b7286f8" > getMolarAbundance< / a > (species));< / div >
< div class = "line" > < a id = "l00212" name = "l00212" > < / a > < span class = "lineno" > 212< / span > }< / div >
< div class = "line" > < a id = "l00213" name = "l00213" > < / a > < span class = "lineno" > 213< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00214" name = "l00214" > < / a > < span class = "lineno" > 214< / span > < / div >
< div class = "foldopen" id = "foldopen00215" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00215" name = "l00215" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a4ec1e23cfecef764cb831171fed62fc2" > 215< / a > < / span > < a class = "code hl_class" href = "classfourdst_1_1composition_1_1Composition.html" > Composition< / a > & < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a4ec1e23cfecef764cb831171fed62fc2" > Composition::operator=< / a > (< / div >
< div class = "line" > < a id = "l00216" name = "l00216" > < / a > < span class = "lineno" > 216< / span > < span class = "keyword" > const< / span > < a class = "code hl_class" href = "classfourdst_1_1composition_1_1Composition.html" > Composition< / a > & other< / div >
< div class = "line" > < a id = "l00217" name = "l00217" > < / a > < span class = "lineno" > 217< / span > ) {< / div >
< div class = "line" > < a id = "l00218" name = "l00218" > < / a > < span class = "lineno" > 218< / span > < span class = "keywordflow" > if< / span > (< span class = "keyword" > this< / span > != & other) {< / div >
< div class = "line" > < a id = "l00219" name = "l00219" > < / a > < span class = "lineno" > 219< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > m_registeredSpecies< / a > = other.< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > m_registeredSpecies< / a > ;< / div >
< div class = "line" > < a id = "l00220" name = "l00220" > < / a > < span class = "lineno" > 220< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > = other.< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > ;< / div >
< div class = "line" > < a id = "l00221" name = "l00221" > < / a > < span class = "lineno" > 221< / span > }< / div >
< div class = "line" > < a id = "l00222" name = "l00222" > < / a > < span class = "lineno" > 222< / span > < span class = "keywordflow" > return< / span > *< span class = "keyword" > this< / span > ;< / div >
< div class = "line" > < a id = "l00223" name = "l00223" > < / a > < span class = "lineno" > 223< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00224" name = "l00224" > < / a > < span class = "lineno" > 224< / span > < / div >
< div class = "foldopen" id = "foldopen00225" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00225" name = "l00225" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725" > 225< / a > < / span > < span class = "keywordtype" > void< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725" > Composition::registerSymbol< / a > (< / div >
< div class = "line" > < a id = "l00226" name = "l00226" > < / a > < span class = "lineno" > 226< / span > < span class = "keyword" > const< / span > std::string& symbol< / div >
< div class = "line" > < a id = "l00227" name = "l00227" > < / a > < span class = "lineno" > 227< / span > ) {< / div >
< div class = "line" > < a id = "l00228" name = "l00228" > < / a > < span class = "lineno" > 228< / span > < span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > result = getSpecies(symbol);< / div >
< div class = "line" > < a id = "l00229" name = "l00229" > < / a > < span class = "lineno" > 229< / span > < span class = "keywordflow" > if< / span > (!result) {< / div >
< div class = "line" > < a id = "l00230" name = "l00230" > < / a > < span class = "lineno" > 230< / span > throw_unknown_symbol(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), symbol);< / div >
2025-10-12 10:22:43 -04:00
< div class = "line" > < a id = "l00231" name = "l00231" > < / a > < span class = "lineno" > 231< / span > }< / div >
2025-11-27 17:47:38 -05:00
< div class = "line" > < a id = "l00232" name = "l00232" > < / a > < span class = "lineno" > 232< / span > < / div >
< div class = "line" > < a id = "l00233" name = "l00233" > < / a > < span class = "lineno" > 233< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a392a34c19f45d6c936cc7030e6cfaf3f" > registerSpecies< / a > (result.value());< / div >
< div class = "line" > < a id = "l00234" name = "l00234" > < / a > < span class = "lineno" > 234< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00235" name = "l00235" > < / a > < span class = "lineno" > 235< / span > < / div >
< div class = "foldopen" id = "foldopen00236" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00236" name = "l00236" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a156d1198ef47deed9689949f271969e2" > 236< / a > < / span > < span class = "keywordtype" > void< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725" > Composition::registerSymbol< / a > (< / div >
< div class = "line" > < a id = "l00237" name = "l00237" > < / a > < span class = "lineno" > 237< / span > < span class = "keyword" > const< / span > std::vector< std::string> & symbols< / div >
< div class = "line" > < a id = "l00238" name = "l00238" > < / a > < span class = "lineno" > 238< / span > ) {< / div >
< div class = "line" > < a id = "l00239" name = "l00239" > < / a > < span class = "lineno" > 239< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & symbol : symbols) {< / div >
< div class = "line" > < a id = "l00240" name = "l00240" > < / a > < span class = "lineno" > 240< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725" > registerSymbol< / a > (symbol);< / div >
< div class = "line" > < a id = "l00241" name = "l00241" > < / a > < span class = "lineno" > 241< / span > }< / div >
< div class = "line" > < a id = "l00242" name = "l00242" > < / a > < span class = "lineno" > 242< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00243" name = "l00243" > < / a > < span class = "lineno" > 243< / span > < / div >
< div class = "foldopen" id = "foldopen00244" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00244" name = "l00244" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a392a34c19f45d6c936cc7030e6cfaf3f" > 244< / a > < / span > < span class = "keywordtype" > void< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a392a34c19f45d6c936cc7030e6cfaf3f" > Composition::registerSpecies< / a > (< / div >
< div class = "line" > < a id = "l00245" name = "l00245" > < / a > < span class = "lineno" > 245< / span > < span class = "keyword" > const< / span > < a class = "code hl_struct" href = "structfourdst_1_1atomic_1_1Species.html" > atomic::Species< / a > & species< / div >
< div class = "line" > < a id = "l00246" name = "l00246" > < / a > < span class = "lineno" > 246< / span > ) < span class = "keyword" > noexcept< / span > {< / div >
< div class = "line" > < a id = "l00247" name = "l00247" > < / a > < span class = "lineno" > 247< / span > m_registeredSpecies.insert(species);< / div >
< div class = "line" > < a id = "l00248" name = "l00248" > < / a > < span class = "lineno" > 248< / span > < span class = "keywordflow" > if< / span > (!m_molarAbundances.contains(species)) {< / div >
< div class = "line" > < a id = "l00249" name = "l00249" > < / a > < span class = "lineno" > 249< / span > m_molarAbundances.emplace(species, 0.0);< / div >
< div class = "line" > < a id = "l00250" name = "l00250" > < / a > < span class = "lineno" > 250< / span > }< / div >
< div class = "line" > < a id = "l00251" name = "l00251" > < / a > < span class = "lineno" > 251< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00252" name = "l00252" > < / a > < span class = "lineno" > 252< / span > < / div >
< div class = "foldopen" id = "foldopen00253" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00253" name = "l00253" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a2846f4ea0d6075ecdaf4334741a54750" > 253< / a > < / span > < span class = "keywordtype" > void< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a392a34c19f45d6c936cc7030e6cfaf3f" > Composition::registerSpecies< / a > (< / div >
< div class = "line" > < a id = "l00254" name = "l00254" > < / a > < span class = "lineno" > 254< / span > < span class = "keyword" > const< / span > std::vector< atomic::Species> & species< / div >
< div class = "line" > < a id = "l00255" name = "l00255" > < / a > < span class = "lineno" > 255< / span > ) < span class = "keyword" > noexcept< / span > {< / div >
< div class = "line" > < a id = "l00256" name = "l00256" > < / a > < span class = "lineno" > 256< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & s : species) {< / div >
< div class = "line" > < a id = "l00257" name = "l00257" > < / a > < span class = "lineno" > 257< / span > registerSpecies(s);< / div >
< div class = "line" > < a id = "l00258" name = "l00258" > < / a > < span class = "lineno" > 258< / span > }< / div >
< div class = "line" > < a id = "l00259" name = "l00259" > < / a > < span class = "lineno" > 259< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00260" name = "l00260" > < / a > < span class = "lineno" > 260< / span > < / div >
< div class = "foldopen" id = "foldopen00261" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00261" name = "l00261" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a3ae885c28580ae15be8c16614bef3b0e" > 261< / a > < / span > std::set< std::string> < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a3ae885c28580ae15be8c16614bef3b0e" > Composition::getRegisteredSymbols< / a > () const noexcept {< / div >
< div class = "line" > < a id = "l00262" name = "l00262" > < / a > < span class = "lineno" > 262< / span > std::set< std::string> symbols;< / div >
< div class = "line" > < a id = "l00263" name = "l00263" > < / a > < span class = "lineno" > 263< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & species : < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > m_registeredSpecies< / a > ) {< / div >
< div class = "line" > < a id = "l00264" name = "l00264" > < / a > < span class = "lineno" > 264< / span > symbols.insert(std::string(species.name()));< / div >
< div class = "line" > < a id = "l00265" name = "l00265" > < / a > < span class = "lineno" > 265< / span > }< / div >
< div class = "line" > < a id = "l00266" name = "l00266" > < / a > < span class = "lineno" > 266< / span > < span class = "keywordflow" > return< / span > symbols;< / div >
< div class = "line" > < a id = "l00267" name = "l00267" > < / a > < span class = "lineno" > 267< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00268" name = "l00268" > < / a > < span class = "lineno" > 268< / span > < / div >
< div class = "foldopen" id = "foldopen00269" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00269" name = "l00269" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a33db253ca50431b5166d43412ff18f71" > 269< / a > < / span > < span class = "keyword" > const< / span > std::set< atomic::Species> & < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a33db253ca50431b5166d43412ff18f71" > Composition::getRegisteredSpecies< / a > () const noexcept {< / div >
< div class = "line" > < a id = "l00270" name = "l00270" > < / a > < span class = "lineno" > 270< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > m_registeredSpecies< / a > ;< / div >
< div class = "line" > < a id = "l00271" name = "l00271" > < / a > < span class = "lineno" > 271< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00272" name = "l00272" > < / a > < span class = "lineno" > 272< / span > < / div >
< div class = "line" > < a id = "l00273" name = "l00273" > < / a > < span class = "lineno" > 273< / span > < / div >
< div class = "foldopen" id = "foldopen00274" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00274" name = "l00274" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#ae5d8d21632fca2b35b0898f2b205cd10" > 274< / a > < / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a9ea2b673341fdc67afeb0f0517a54c8c" > Composition::getMassFraction< / a > (< span class = "keyword" > const< / span > std::string& symbol)< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00275" name = "l00275" > < / a > < span class = "lineno" > 275< / span > < span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > species = getSpecies(symbol);< / div >
< div class = "line" > < a id = "l00276" name = "l00276" > < / a > < span class = "lineno" > 276< / span > < span class = "keywordflow" > if< / span > (!species) {< / div >
< div class = "line" > < a id = "l00277" name = "l00277" > < / a > < span class = "lineno" > 277< / span > throw_unknown_symbol(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), symbol);< / div >
< div class = "line" > < a id = "l00278" name = "l00278" > < / a > < span class = "lineno" > 278< / span > }< / div >
< div class = "line" > < a id = "l00279" name = "l00279" > < / a > < span class = "lineno" > 279< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a9ea2b673341fdc67afeb0f0517a54c8c" > getMassFraction< / a > (species.value());< / div >
< div class = "line" > < a id = "l00280" name = "l00280" > < / a > < span class = "lineno" > 280< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00281" name = "l00281" > < / a > < span class = "lineno" > 281< / span > < / div >
< div class = "foldopen" id = "foldopen00282" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00282" name = "l00282" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#ae8fe4e7158f8317bf29b5cd0c65a9524" > 282< / a > < / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a9ea2b673341fdc67afeb0f0517a54c8c" > Composition::getMassFraction< / a > (< / div >
< div class = "line" > < a id = "l00283" name = "l00283" > < / a > < span class = "lineno" > 283< / span > < span class = "keyword" > const< / span > < a class = "code hl_struct" href = "structfourdst_1_1atomic_1_1Species.html" > atomic::Species< / a > & species< / div >
< div class = "line" > < a id = "l00284" name = "l00284" > < / a > < span class = "lineno" > 284< / span > )< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00285" name = "l00285" > < / a > < span class = "lineno" > 285< / span > < span class = "keywordflow" > if< / span > (!< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .contains(species)) {< / div >
< div class = "line" > < a id = "l00286" name = "l00286" > < / a > < span class = "lineno" > 286< / span > throw_unregistered_symbol(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), std::string(species.< a class = "code hl_function" href = "structfourdst_1_1atomic_1_1Species.html#a1fcc01fc978b34ba2531117f10be6741" > name< / a > ()));< / div >
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< div class = "line" > < a id = "l00287" name = "l00287" > < / a > < span class = "lineno" > 287< / span > }< / div >
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< div class = "line" > < a id = "l00288" name = "l00288" > < / a > < span class = "lineno" > 288< / span > std::map< atomic::Species, double> raw_mass;< / div >
< div class = "line" > < a id = "l00289" name = "l00289" > < / a > < span class = "lineno" > 289< / span > < span class = "keywordtype" > double< / span > totalMass = 0;< / div >
< div class = "line" > < a id = "l00290" name = "l00290" > < / a > < span class = "lineno" > 290< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [sp, y] : < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > ) {< / div >
< div class = "line" > < a id = "l00291" name = "l00291" > < / a > < span class = "lineno" > 291< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > contrib = y * sp.mass();< / div >
< div class = "line" > < a id = "l00292" name = "l00292" > < / a > < span class = "lineno" > 292< / span > totalMass += contrib;< / div >
< div class = "line" > < a id = "l00293" name = "l00293" > < / a > < span class = "lineno" > 293< / span > raw_mass.emplace(sp, contrib);< / div >
< div class = "line" > < a id = "l00294" name = "l00294" > < / a > < span class = "lineno" > 294< / span > }< / div >
< div class = "line" > < a id = "l00295" name = "l00295" > < / a > < span class = "lineno" > 295< / span > < span class = "keywordflow" > return< / span > raw_mass.at(species) / totalMass;< / div >
< div class = "line" > < a id = "l00296" name = "l00296" > < / a > < span class = "lineno" > 296< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00297" name = "l00297" > < / a > < span class = "lineno" > 297< / span > < / div >
< div class = "foldopen" id = "foldopen00298" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00298" name = "l00298" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a9ea2b673341fdc67afeb0f0517a54c8c" > 298< / a > < / span > std::unordered_map< atomic::Species, double> < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a9ea2b673341fdc67afeb0f0517a54c8c" > Composition::getMassFraction< / a > () const noexcept {< / div >
< div class = "line" > < a id = "l00299" name = "l00299" > < / a > < span class = "lineno" > 299< / span > std::unordered_map< atomic::Species, double> mass_fractions;< / div >
< div class = "line" > < a id = "l00300" name = "l00300" > < / a > < span class = "lineno" > 300< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & species: < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > | std::views::keys) {< / div >
< div class = "line" > < a id = "l00301" name = "l00301" > < / a > < span class = "lineno" > 301< / span > mass_fractions.emplace(species, < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a9ea2b673341fdc67afeb0f0517a54c8c" > getMassFraction< / a > (species));< / div >
< div class = "line" > < a id = "l00302" name = "l00302" > < / a > < span class = "lineno" > 302< / span > }< / div >
< div class = "line" > < a id = "l00303" name = "l00303" > < / a > < span class = "lineno" > 303< / span > < span class = "keywordflow" > return< / span > mass_fractions;< / div >
< div class = "line" > < a id = "l00304" name = "l00304" > < / a > < span class = "lineno" > 304< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00305" name = "l00305" > < / a > < span class = "lineno" > 305< / span > < / div >
< div class = "line" > < a id = "l00306" name = "l00306" > < / a > < span class = "lineno" > 306< / span > < / div >
< div class = "foldopen" id = "foldopen00307" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00307" name = "l00307" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a34f71d4d8f0297c576fd62fabd490305" > 307< / a > < / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a1f87ed64a1be9a6091c852131d24e476" > Composition::getNumberFraction< / a > (< / div >
< div class = "line" > < a id = "l00308" name = "l00308" > < / a > < span class = "lineno" > 308< / span > < span class = "keyword" > const< / span > std::string& symbol< / div >
< div class = "line" > < a id = "l00309" name = "l00309" > < / a > < span class = "lineno" > 309< / span > )< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00310" name = "l00310" > < / a > < span class = "lineno" > 310< / span > < span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > species = getSpecies(symbol);< / div >
< div class = "line" > < a id = "l00311" name = "l00311" > < / a > < span class = "lineno" > 311< / span > < span class = "keywordflow" > if< / span > (!species) {< / div >
< div class = "line" > < a id = "l00312" name = "l00312" > < / a > < span class = "lineno" > 312< / span > throw_unknown_symbol(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), symbol);< / div >
< div class = "line" > < a id = "l00313" name = "l00313" > < / a > < span class = "lineno" > 313< / span > }< / div >
< div class = "line" > < a id = "l00314" name = "l00314" > < / a > < span class = "lineno" > 314< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a1f87ed64a1be9a6091c852131d24e476" > getNumberFraction< / a > (species.value());< / div >
< div class = "line" > < a id = "l00315" name = "l00315" > < / a > < span class = "lineno" > 315< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00316" name = "l00316" > < / a > < span class = "lineno" > 316< / span > < / div >
< div class = "foldopen" id = "foldopen00317" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00317" name = "l00317" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a1aa79993925f16ba3c30a376aa39161b" > 317< / a > < / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a1f87ed64a1be9a6091c852131d24e476" > Composition::getNumberFraction< / a > (< / div >
< div class = "line" > < a id = "l00318" name = "l00318" > < / a > < span class = "lineno" > 318< / span > < span class = "keyword" > const< / span > < a class = "code hl_struct" href = "structfourdst_1_1atomic_1_1Species.html" > atomic::Species< / a > & species< / div >
< div class = "line" > < a id = "l00319" name = "l00319" > < / a > < span class = "lineno" > 319< / span > )< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00320" name = "l00320" > < / a > < span class = "lineno" > 320< / span > < span class = "keywordflow" > if< / span > (!< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .contains(species)) {< / div >
< div class = "line" > < a id = "l00321" name = "l00321" > < / a > < span class = "lineno" > 321< / span > throw_unregistered_symbol(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), std::string(species.< a class = "code hl_function" href = "structfourdst_1_1atomic_1_1Species.html#a1fcc01fc978b34ba2531117f10be6741" > name< / a > ()));< / div >
< div class = "line" > < a id = "l00322" name = "l00322" > < / a > < span class = "lineno" > 322< / span > }< / div >
< div class = "line" > < a id = "l00323" name = "l00323" > < / a > < span class = "lineno" > 323< / span > < span class = "keywordtype" > double< / span > total_moles_per_gram = 0.0;< / div >
< div class = "line" > < a id = "l00324" name = "l00324" > < / a > < span class = "lineno" > 324< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & y: < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > | std::views::values) {< / div >
< div class = "line" > < a id = "l00325" name = "l00325" > < / a > < span class = "lineno" > 325< / span > total_moles_per_gram += y;< / div >
< div class = "line" > < a id = "l00326" name = "l00326" > < / a > < span class = "lineno" > 326< / span > }< / div >
< div class = "line" > < a id = "l00327" name = "l00327" > < / a > < span class = "lineno" > 327< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .at(species) / total_moles_per_gram;< / div >
< div class = "line" > < a id = "l00328" name = "l00328" > < / a > < span class = "lineno" > 328< / span > }< / div >
< / div >
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< div class = "line" > < a id = "l00329" name = "l00329" > < / a > < span class = "lineno" > 329< / span > < / div >
< div class = "foldopen" id = "foldopen00330" data-start = "{" data-end = "}" >
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< div class = "line" > < a id = "l00330" name = "l00330" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a1f87ed64a1be9a6091c852131d24e476" > 330< / a > < / span > std::unordered_map< atomic::Species, double> < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a1f87ed64a1be9a6091c852131d24e476" > Composition::getNumberFraction< / a > () const noexcept {< / div >
< div class = "line" > < a id = "l00331" name = "l00331" > < / a > < span class = "lineno" > 331< / span > std::unordered_map< atomic::Species, double> number_fractions;< / div >
< div class = "line" > < a id = "l00332" name = "l00332" > < / a > < span class = "lineno" > 332< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & species: < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > | std::views::keys) {< / div >
< div class = "line" > < a id = "l00333" name = "l00333" > < / a > < span class = "lineno" > 333< / span > number_fractions.emplace(species, < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a1f87ed64a1be9a6091c852131d24e476" > getNumberFraction< / a > (species));< / div >
< div class = "line" > < a id = "l00334" name = "l00334" > < / a > < span class = "lineno" > 334< / span > }< / div >
< div class = "line" > < a id = "l00335" name = "l00335" > < / a > < span class = "lineno" > 335< / span > < span class = "keywordflow" > return< / span > number_fractions;< / div >
< div class = "line" > < a id = "l00336" name = "l00336" > < / a > < span class = "lineno" > 336< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00337" name = "l00337" > < / a > < span class = "lineno" > 337< / span > < / div >
< div class = "foldopen" id = "foldopen00338" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00338" name = "l00338" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#add67a92d73e3a57a2bbdb52bc9ca3bfe" > 338< / a > < / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#add67a92d73e3a57a2bbdb52bc9ca3bfe" > Composition::getMolarAbundance< / a > (< / div >
< div class = "line" > < a id = "l00339" name = "l00339" > < / a > < span class = "lineno" > 339< / span > < span class = "keyword" > const< / span > std::string & symbol< / div >
< div class = "line" > < a id = "l00340" name = "l00340" > < / a > < span class = "lineno" > 340< / span > )< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00341" name = "l00341" > < / a > < span class = "lineno" > 341< / span > < span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > species = getSpecies(symbol);< / div >
< div class = "line" > < a id = "l00342" name = "l00342" > < / a > < span class = "lineno" > 342< / span > < span class = "keywordflow" > if< / span > (!species) {< / div >
< div class = "line" > < a id = "l00343" name = "l00343" > < / a > < span class = "lineno" > 343< / span > throw_unknown_symbol(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), symbol);< / div >
< div class = "line" > < a id = "l00344" name = "l00344" > < / a > < span class = "lineno" > 344< / span > }< / div >
< div class = "line" > < a id = "l00345" name = "l00345" > < / a > < span class = "lineno" > 345< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#add67a92d73e3a57a2bbdb52bc9ca3bfe" > getMolarAbundance< / a > (species.value());< / div >
< div class = "line" > < a id = "l00346" name = "l00346" > < / a > < span class = "lineno" > 346< / span > < / div >
< div class = "line" > < a id = "l00347" name = "l00347" > < / a > < span class = "lineno" > 347< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00348" name = "l00348" > < / a > < span class = "lineno" > 348< / span > < / div >
< div class = "foldopen" id = "foldopen00349" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00349" name = "l00349" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a78a43e9e77a9c1b0f27c50b9feb52449" > 349< / a > < / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#add67a92d73e3a57a2bbdb52bc9ca3bfe" > Composition::getMolarAbundance< / a > (< / div >
< div class = "line" > < a id = "l00350" name = "l00350" > < / a > < span class = "lineno" > 350< / span > < span class = "keyword" > const< / span > < a class = "code hl_struct" href = "structfourdst_1_1atomic_1_1Species.html" > atomic::Species< / a > & species< / div >
< div class = "line" > < a id = "l00351" name = "l00351" > < / a > < span class = "lineno" > 351< / span > )< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00352" name = "l00352" > < / a > < span class = "lineno" > 352< / span > < span class = "keywordflow" > if< / span > (!< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .contains(species)) {< / div >
< div class = "line" > < a id = "l00353" name = "l00353" > < / a > < span class = "lineno" > 353< / span > throw_unregistered_symbol(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), std::string(species.< a class = "code hl_function" href = "structfourdst_1_1atomic_1_1Species.html#a1fcc01fc978b34ba2531117f10be6741" > name< / a > ()));< / div >
< div class = "line" > < a id = "l00354" name = "l00354" > < / a > < span class = "lineno" > 354< / span > }< / div >
< div class = "line" > < a id = "l00355" name = "l00355" > < / a > < span class = "lineno" > 355< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .at(species);< / div >
< div class = "line" > < a id = "l00356" name = "l00356" > < / a > < span class = "lineno" > 356< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00357" name = "l00357" > < / a > < span class = "lineno" > 357< / span > < / div >
< div class = "foldopen" id = "foldopen00358" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00358" name = "l00358" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#afbbb5e51ad5ae5c0fa6bc0094195aecd" > 358< / a > < / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#afbbb5e51ad5ae5c0fa6bc0094195aecd" > Composition::getMeanParticleMass< / a > () const noexcept {< / div >
< div class = "line" > < a id = "l00359" name = "l00359" > < / a > < span class = "lineno" > 359< / span > std::vector< double> X = < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#af4f44aaf8b7e0d63872a70b5e2131369" > getMassFractionVector< / a > ();< / div >
< div class = "line" > < a id = "l00360" name = "l00360" > < / a > < span class = "lineno" > 360< / span > < span class = "keywordtype" > double< / span > sum = 0.0;< / div >
< div class = "line" > < a id = "l00361" name = "l00361" > < / a > < span class = "lineno" > 361< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [species, x] : std::views::zip(< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > m_registeredSpecies< / a > , X)) {< / div >
< div class = "line" > < a id = "l00362" name = "l00362" > < / a > < span class = "lineno" > 362< / span > sum += x/species.mass();< / div >
< div class = "line" > < a id = "l00363" name = "l00363" > < / a > < span class = "lineno" > 363< / span > }< / div >
< div class = "line" > < a id = "l00364" name = "l00364" > < / a > < span class = "lineno" > 364< / span > < / div >
< div class = "line" > < a id = "l00365" name = "l00365" > < / a > < span class = "lineno" > 365< / span > < span class = "keywordflow" > return< / span > 1.0 / sum;< / div >
< div class = "line" > < a id = "l00366" name = "l00366" > < / a > < span class = "lineno" > 366< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00367" name = "l00367" > < / a > < span class = "lineno" > 367< / span > < / div >
< div class = "foldopen" id = "foldopen00368" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00368" name = "l00368" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a90fc71d1fe03017ee4c7a1cac69d24fb" > 368< / a > < / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a90fc71d1fe03017ee4c7a1cac69d24fb" > Composition::getElectronAbundance< / a > () const noexcept {< / div >
< div class = "line" > < a id = "l00369" name = "l00369" > < / a > < span class = "lineno" > 369< / span > < span class = "keywordtype" > double< / span > Ye = 0.0;< / div >
< div class = "line" > < a id = "l00370" name = "l00370" > < / a > < span class = "lineno" > 370< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [species, y] : < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > ) {< / div >
< div class = "line" > < a id = "l00371" name = "l00371" > < / a > < span class = "lineno" > 371< / span > Ye += species.z() * y;< / div >
< div class = "line" > < a id = "l00372" name = "l00372" > < / a > < span class = "lineno" > 372< / span > }< / div >
< div class = "line" > < a id = "l00373" name = "l00373" > < / a > < span class = "lineno" > 373< / span > < span class = "keywordflow" > return< / span > Ye;< / div >
< div class = "line" > < a id = "l00374" name = "l00374" > < / a > < span class = "lineno" > 374< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00375" name = "l00375" > < / a > < span class = "lineno" > 375< / span > < / div >
< div class = "line" > < a id = "l00376" name = "l00376" > < / a > < span class = "lineno" > 376< / span > < / div >
< div class = "foldopen" id = "foldopen00377" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00377" name = "l00377" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#aac5b214a3d1278e127422224cb9cee50" > 377< / a > < / span > < a class = "code hl_struct" href = "structfourdst_1_1composition_1_1CanonicalComposition.html" > CanonicalComposition< / a > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#aac5b214a3d1278e127422224cb9cee50" > Composition::getCanonicalComposition< / a > (< / div >
< div class = "line" > < a id = "l00378" name = "l00378" > < / a > < span class = "lineno" > 378< / span > )< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00379" name = "l00379" > < / a > < span class = "lineno" > 379< / span > < span class = "keyword" > using namespace < / span > < a class = "code hl_namespace" href = "namespacefourdst_1_1atomic.html" > fourdst::atomic< / a > ;< / div >
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< div class = "line" > < a id = "l00380" name = "l00380" > < / a > < span class = "lineno" > 380< / span > < / div >
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< div class = "line" > < a id = "l00381" name = "l00381" > < / a > < span class = "lineno" > 381< / span > < span class = "keywordflow" > if< / span > (< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a459e01b94eb0e78dd95bb6932a967f13" > canonicalComp< / a > .has_value()) {< / div >
< div class = "line" > < a id = "l00382" name = "l00382" > < / a > < span class = "lineno" > 382< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a459e01b94eb0e78dd95bb6932a967f13" > canonicalComp< / a > .value(); < span class = "comment" > // Short circuit if we have cached the canonical composition< / span > < / div >
< div class = "line" > < a id = "l00383" name = "l00383" > < / a > < span class = "lineno" > 383< / span > }< / div >
< div class = "line" > < a id = "l00384" name = "l00384" > < / a > < span class = "lineno" > 384< / span > < a class = "code hl_struct" href = "structfourdst_1_1composition_1_1CanonicalComposition.html" > CanonicalComposition< / a > canonicalComposition;< / div >
< div class = "line" > < a id = "l00385" name = "l00385" > < / a > < span class = "lineno" > 385< / span > < span class = "keyword" > const< / span > std::set< Species> canonicalH = {H_1, H_2, H_3, H_4, H_5, H_6, H_7};< / div >
< div class = "line" > < a id = "l00386" name = "l00386" > < / a > < span class = "lineno" > 386< / span > < span class = "keyword" > const< / span > std::set< Species> canonicalHe = {He_3, He_4, He_5, He_6, He_7, He_8, He_9, He_10};< / div >
< div class = "line" > < a id = "l00387" name = "l00387" > < / a > < span class = "lineno" > 387< / span > < / div >
< div class = "line" > < a id = "l00388" name = "l00388" > < / a > < span class = "lineno" > 388< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & symbol : canonicalH) {< / div >
< div class = "line" > < a id = "l00389" name = "l00389" > < / a > < span class = "lineno" > 389< / span > < span class = "keywordflow" > if< / span > (< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a194f715788e7921bd611579440de2ecd" > contains< / a > (symbol)) {< / div >
< div class = "line" > < a id = "l00390" name = "l00390" > < / a > < span class = "lineno" > 390< / span > canonicalComposition.< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1CanonicalComposition.html#abe5b01574242f8eaabd00c3d653291f7" > X< / a > += < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a9ea2b673341fdc67afeb0f0517a54c8c" > getMassFraction< / a > (symbol);< / div >
< div class = "line" > < a id = "l00391" name = "l00391" > < / a > < span class = "lineno" > 391< / span > }< / div >
< div class = "line" > < a id = "l00392" name = "l00392" > < / a > < span class = "lineno" > 392< / span > }< / div >
< div class = "line" > < a id = "l00393" name = "l00393" > < / a > < span class = "lineno" > 393< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & symbol : canonicalHe) {< / div >
< div class = "line" > < a id = "l00394" name = "l00394" > < / a > < span class = "lineno" > 394< / span > < span class = "keywordflow" > if< / span > (< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a194f715788e7921bd611579440de2ecd" > contains< / a > (symbol)) {< / div >
< div class = "line" > < a id = "l00395" name = "l00395" > < / a > < span class = "lineno" > 395< / span > canonicalComposition.< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1CanonicalComposition.html#a93927bfccc5d2b3906565d092ed4f7f4" > Y< / a > += < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a9ea2b673341fdc67afeb0f0517a54c8c" > getMassFraction< / a > (symbol);< / div >
< div class = "line" > < a id = "l00396" name = "l00396" > < / a > < span class = "lineno" > 396< / span > }< / div >
< div class = "line" > < a id = "l00397" name = "l00397" > < / a > < span class = "lineno" > 397< / span > }< / div >
< div class = "line" > < a id = "l00398" name = "l00398" > < / a > < span class = "lineno" > 398< / span > < / div >
< div class = "line" > < a id = "l00399" name = "l00399" > < / a > < span class = "lineno" > 399< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & species : < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > | std::views::keys) {< / div >
< div class = "line" > < a id = "l00400" name = "l00400" > < / a > < span class = "lineno" > 400< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > bool< / span > isHIsotope = canonicalH.contains(species);< / div >
< div class = "line" > < a id = "l00401" name = "l00401" > < / a > < span class = "lineno" > 401< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > bool< / span > isHeIsotope = canonicalHe.contains(species);< / div >
2025-11-08 06:42:51 -05:00
< div class = "line" > < a id = "l00402" name = "l00402" > < / a > < span class = "lineno" > 402< / span > < / div >
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< div class = "line" > < a id = "l00403" name = "l00403" > < / a > < span class = "lineno" > 403< / span > < span class = "keywordflow" > if< / span > (isHIsotope || isHeIsotope) {< / div >
< div class = "line" > < a id = "l00404" name = "l00404" > < / a > < span class = "lineno" > 404< / span > < span class = "keywordflow" > continue< / span > ; < span class = "comment" > // Skip canonical H and He symbols< / span > < / div >
< div class = "line" > < a id = "l00405" name = "l00405" > < / a > < span class = "lineno" > 405< / span > }< / div >
< div class = "line" > < a id = "l00406" name = "l00406" > < / a > < span class = "lineno" > 406< / span > < / div >
< div class = "line" > < a id = "l00407" name = "l00407" > < / a > < span class = "lineno" > 407< / span > canonicalComposition.< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1CanonicalComposition.html#ae1981f5ddd36abd17a4a69fa1f43de18" > Z< / a > += < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a9ea2b673341fdc67afeb0f0517a54c8c" > getMassFraction< / a > (species);< / div >
< div class = "line" > < a id = "l00408" name = "l00408" > < / a > < span class = "lineno" > 408< / span > }< / div >
< div class = "line" > < a id = "l00409" name = "l00409" > < / a > < span class = "lineno" > 409< / span > < / div >
< div class = "line" > < a id = "l00410" name = "l00410" > < / a > < span class = "lineno" > 410< / span > < span class = "comment" > // ReSharper disable once CppTooWideScopeInitStatement< / span > < / div >
< div class = "line" > < a id = "l00411" name = "l00411" > < / a > < span class = "lineno" > 411< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > Z = 1.0 - (canonicalComposition.< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1CanonicalComposition.html#abe5b01574242f8eaabd00c3d653291f7" > X< / a > + canonicalComposition.< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1CanonicalComposition.html#a93927bfccc5d2b3906565d092ed4f7f4" > Y< / a > );< / div >
< div class = "line" > < a id = "l00412" name = "l00412" > < / a > < span class = "lineno" > 412< / span > < span class = "keywordflow" > if< / span > (std::abs(Z - canonicalComposition.< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1CanonicalComposition.html#ae1981f5ddd36abd17a4a69fa1f43de18" > Z< / a > ) > 1e-16) {< / div >
< div class = "line" > < a id = "l00413" name = "l00413" > < / a > < span class = "lineno" > 413< / span > LOG_ERROR(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), < span class = "stringliteral" > " Validation composition Z (X-Y = {}) is different than canonical composition Z ({}) (∑a_i where a_i != H/He)." < / span > , Z, canonicalComposition.< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1CanonicalComposition.html#ae1981f5ddd36abd17a4a69fa1f43de18" > Z< / a > );< / div >
< div class = "line" > < a id = "l00414" name = "l00414" > < / a > < span class = "lineno" > 414< / span > < span class = "keywordflow" > throw< / span > < a class = "code hl_class" href = "classfourdst_1_1composition_1_1exceptions_1_1InvalidCompositionError.html" > exceptions::InvalidCompositionError< / a > (< span class = "stringliteral" > " Validation composition Z (X-Y = " < / span > + std::to_string(Z) + < span class = "stringliteral" > " ) is different than canonical composition Z (" < / span > + std::to_string(canonicalComposition.< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1CanonicalComposition.html#ae1981f5ddd36abd17a4a69fa1f43de18" > Z< / a > ) + < span class = "stringliteral" > " ) (∑a_i where a_i != H/He)." < / span > );< / div >
< div class = "line" > < a id = "l00415" name = "l00415" > < / a > < span class = "lineno" > 415< / span > }< / div >
< div class = "line" > < a id = "l00416" name = "l00416" > < / a > < span class = "lineno" > 416< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a459e01b94eb0e78dd95bb6932a967f13" > canonicalComp< / a > = canonicalComposition;< / div >
< div class = "line" > < a id = "l00417" name = "l00417" > < / a > < span class = "lineno" > 417< / span > < span class = "keywordflow" > return< / span > canonicalComposition;< / div >
< div class = "line" > < a id = "l00418" name = "l00418" > < / a > < span class = "lineno" > 418< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00419" name = "l00419" > < / a > < span class = "lineno" > 419< / span > < / div >
< div class = "foldopen" id = "foldopen00420" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00420" name = "l00420" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#af4f44aaf8b7e0d63872a70b5e2131369" > 420< / a > < / span > std::vector< double> < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#af4f44aaf8b7e0d63872a70b5e2131369" > Composition::getMassFractionVector< / a > () const noexcept {< / div >
< div class = "line" > < a id = "l00421" name = "l00421" > < / a > < span class = "lineno" > 421< / span > < span class = "keywordflow" > if< / span > (< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#add5ce97ae6a1796c5f6488bfa1555be6" > massFractions< / a > .has_value()) {< / div >
< div class = "line" > < a id = "l00422" name = "l00422" > < / a > < span class = "lineno" > 422< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#add5ce97ae6a1796c5f6488bfa1555be6" > massFractions< / a > .value(); < span class = "comment" > // Short circuit if we have cached the mass fractions< / span > < / div >
< div class = "line" > < a id = "l00423" name = "l00423" > < / a > < span class = "lineno" > 423< / span > }< / div >
< div class = "line" > < a id = "l00424" name = "l00424" > < / a > < span class = "lineno" > 424< / span > < / div >
< div class = "line" > < a id = "l00425" name = "l00425" > < / a > < span class = "lineno" > 425< / span > std::vector< double> massFractionVector;< / div >
< div class = "line" > < a id = "l00426" name = "l00426" > < / a > < span class = "lineno" > 426< / span > std::vector< double> speciesMass;< / div >
< div class = "line" > < a id = "l00427" name = "l00427" > < / a > < span class = "lineno" > 427< / span > < / div >
< div class = "line" > < a id = "l00428" name = "l00428" > < / a > < span class = "lineno" > 428< / span > massFractionVector.reserve(< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .size());< / div >
< div class = "line" > < a id = "l00429" name = "l00429" > < / a > < span class = "lineno" > 429< / span > speciesMass.reserve(< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .size());< / div >
< div class = "line" > < a id = "l00430" name = "l00430" > < / a > < span class = "lineno" > 430< / span > < / div >
< div class = "line" > < a id = "l00431" name = "l00431" > < / a > < span class = "lineno" > 431< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & species: < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > | std::views::keys) {< / div >
< div class = "line" > < a id = "l00432" name = "l00432" > < / a > < span class = "lineno" > 432< / span > massFractionVector.push_back(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a9ea2b673341fdc67afeb0f0517a54c8c" > getMassFraction< / a > (species));< / div >
< div class = "line" > < a id = "l00433" name = "l00433" > < / a > < span class = "lineno" > 433< / span > speciesMass.push_back(species.mass());< / div >
< div class = "line" > < a id = "l00434" name = "l00434" > < / a > < span class = "lineno" > 434< / span > }< / div >
2025-11-08 06:42:51 -05:00
< div class = "line" > < a id = "l00435" name = "l00435" > < / a > < span class = "lineno" > 435< / span > < / div >
2025-11-27 17:47:38 -05:00
< div class = "line" > < a id = "l00436" name = "l00436" > < / a > < span class = "lineno" > 436< / span > std::vector< double> massFractions = sortVectorBy(massFractionVector, speciesMass);< / div >
< div class = "line" > < a id = "l00437" name = "l00437" > < / a > < span class = "lineno" > 437< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#add5ce97ae6a1796c5f6488bfa1555be6" > massFractions< / a > = massFractions; < span class = "comment" > // Cache the result< / span > < / div >
< div class = "line" > < a id = "l00438" name = "l00438" > < / a > < span class = "lineno" > 438< / span > < span class = "keywordflow" > return< / span > massFractions;< / div >
< div class = "line" > < a id = "l00439" name = "l00439" > < / a > < span class = "lineno" > 439< / span > < / div >
< div class = "line" > < a id = "l00440" name = "l00440" > < / a > < span class = "lineno" > 440< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00441" name = "l00441" > < / a > < span class = "lineno" > 441< / span > < / div >
< div class = "foldopen" id = "foldopen00442" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00442" name = "l00442" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#ae4f72972cf4d1ff422d0790080e11473" > 442< / a > < / span > std::vector< double> < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#ae4f72972cf4d1ff422d0790080e11473" > Composition::getNumberFractionVector< / a > () const noexcept {< / div >
< div class = "line" > < a id = "l00443" name = "l00443" > < / a > < span class = "lineno" > 443< / span > < span class = "keywordflow" > if< / span > (< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a41ce9d6b4a0f00030e3027b23c0269fb" > numberFractions< / a > .has_value()) {< / div >
< div class = "line" > < a id = "l00444" name = "l00444" > < / a > < span class = "lineno" > 444< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a41ce9d6b4a0f00030e3027b23c0269fb" > numberFractions< / a > .value(); < span class = "comment" > // Short circuit if we have cached the number fractions< / span > < / div >
< div class = "line" > < a id = "l00445" name = "l00445" > < / a > < span class = "lineno" > 445< / span > }< / div >
< div class = "line" > < a id = "l00446" name = "l00446" > < / a > < span class = "lineno" > 446< / span > < / div >
< div class = "line" > < a id = "l00447" name = "l00447" > < / a > < span class = "lineno" > 447< / span > std::vector< double> numberFractionVector;< / div >
< div class = "line" > < a id = "l00448" name = "l00448" > < / a > < span class = "lineno" > 448< / span > std::vector< double> speciesMass;< / div >
< div class = "line" > < a id = "l00449" name = "l00449" > < / a > < span class = "lineno" > 449< / span > < / div >
< div class = "line" > < a id = "l00450" name = "l00450" > < / a > < span class = "lineno" > 450< / span > numberFractionVector.reserve(< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .size());< / div >
< div class = "line" > < a id = "l00451" name = "l00451" > < / a > < span class = "lineno" > 451< / span > speciesMass.reserve(< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .size());< / div >
< div class = "line" > < a id = "l00452" name = "l00452" > < / a > < span class = "lineno" > 452< / span > < / div >
< div class = "line" > < a id = "l00453" name = "l00453" > < / a > < span class = "lineno" > 453< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & species: < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > | std::views::keys) {< / div >
< div class = "line" > < a id = "l00454" name = "l00454" > < / a > < span class = "lineno" > 454< / span > numberFractionVector.push_back(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a1f87ed64a1be9a6091c852131d24e476" > getNumberFraction< / a > (species));< / div >
< div class = "line" > < a id = "l00455" name = "l00455" > < / a > < span class = "lineno" > 455< / span > speciesMass.push_back(species.mass());< / div >
< div class = "line" > < a id = "l00456" name = "l00456" > < / a > < span class = "lineno" > 456< / span > }< / div >
< div class = "line" > < a id = "l00457" name = "l00457" > < / a > < span class = "lineno" > 457< / span > < / div >
< div class = "line" > < a id = "l00458" name = "l00458" > < / a > < span class = "lineno" > 458< / span > std::vector< double> numberFractions = sortVectorBy(numberFractionVector, speciesMass);< / div >
< div class = "line" > < a id = "l00459" name = "l00459" > < / a > < span class = "lineno" > 459< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a41ce9d6b4a0f00030e3027b23c0269fb" > numberFractions< / a > = numberFractions; < span class = "comment" > // Cache the result< / span > < / div >
< div class = "line" > < a id = "l00460" name = "l00460" > < / a > < span class = "lineno" > 460< / span > < span class = "keywordflow" > return< / span > numberFractions;< / div >
< div class = "line" > < a id = "l00461" name = "l00461" > < / a > < span class = "lineno" > 461< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00462" name = "l00462" > < / a > < span class = "lineno" > 462< / span > < / div >
< div class = "foldopen" id = "foldopen00463" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00463" name = "l00463" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#abcb391f5fca2b636127e48e681e4c3ee" > 463< / a > < / span > std::vector< double> < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#abcb391f5fca2b636127e48e681e4c3ee" > Composition::getMolarAbundanceVector< / a > () const noexcept {< / div >
< div class = "line" > < a id = "l00464" name = "l00464" > < / a > < span class = "lineno" > 464< / span > < span class = "keywordflow" > if< / span > (< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#ab74c9cd92ba8aaf5f95c8ca5284206a6" > molarAbundances< / a > .has_value()) {< / div >
< div class = "line" > < a id = "l00465" name = "l00465" > < / a > < span class = "lineno" > 465< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#ab74c9cd92ba8aaf5f95c8ca5284206a6" > molarAbundances< / a > .value(); < span class = "comment" > // Short circuit if we have cached the molar abundances< / span > < / div >
< div class = "line" > < a id = "l00466" name = "l00466" > < / a > < span class = "lineno" > 466< / span > }< / div >
< div class = "line" > < a id = "l00467" name = "l00467" > < / a > < span class = "lineno" > 467< / span > < / div >
< div class = "line" > < a id = "l00468" name = "l00468" > < / a > < span class = "lineno" > 468< / span > std::vector< double> molarAbundanceVector;< / div >
< div class = "line" > < a id = "l00469" name = "l00469" > < / a > < span class = "lineno" > 469< / span > std::vector< double> speciesMass;< / div >
< div class = "line" > < a id = "l00470" name = "l00470" > < / a > < span class = "lineno" > 470< / span > < / div >
< div class = "line" > < a id = "l00471" name = "l00471" > < / a > < span class = "lineno" > 471< / span > molarAbundanceVector.reserve(< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .size());< / div >
< div class = "line" > < a id = "l00472" name = "l00472" > < / a > < span class = "lineno" > 472< / span > speciesMass.reserve(< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .size());< / div >
< div class = "line" > < a id = "l00473" name = "l00473" > < / a > < span class = "lineno" > 473< / span > < / div >
< div class = "line" > < a id = "l00474" name = "l00474" > < / a > < span class = "lineno" > 474< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [species, y]: < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > ) {< / div >
< div class = "line" > < a id = "l00475" name = "l00475" > < / a > < span class = "lineno" > 475< / span > molarAbundanceVector.push_back(y);< / div >
< div class = "line" > < a id = "l00476" name = "l00476" > < / a > < span class = "lineno" > 476< / span > speciesMass.push_back(species.mass());< / div >
< div class = "line" > < a id = "l00477" name = "l00477" > < / a > < span class = "lineno" > 477< / span > }< / div >
< div class = "line" > < a id = "l00478" name = "l00478" > < / a > < span class = "lineno" > 478< / span > < / div >
< div class = "line" > < a id = "l00479" name = "l00479" > < / a > < span class = "lineno" > 479< / span > std::vector< double> molarAbundances = sortVectorBy(molarAbundanceVector, speciesMass);< / div >
< div class = "line" > < a id = "l00480" name = "l00480" > < / a > < span class = "lineno" > 480< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#ab74c9cd92ba8aaf5f95c8ca5284206a6" > molarAbundances< / a > = molarAbundances; < span class = "comment" > // Cache the result< / span > < / div >
< div class = "line" > < a id = "l00481" name = "l00481" > < / a > < span class = "lineno" > 481< / span > < span class = "keywordflow" > return< / span > molarAbundances;< / div >
2025-10-12 10:22:43 -04:00
< div class = "line" > < a id = "l00482" name = "l00482" > < / a > < span class = "lineno" > 482< / span > < / div >
2025-11-27 17:47:38 -05:00
< div class = "line" > < a id = "l00483" name = "l00483" > < / a > < span class = "lineno" > 483< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00484" name = "l00484" > < / a > < span class = "lineno" > 484< / span > < / div >
< div class = "foldopen" id = "foldopen00485" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00485" name = "l00485" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a0d94f62402bb90b5d12679faeaa8c5d7" > 485< / a > < / span > < span class = "keywordtype" > size_t< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a0d94f62402bb90b5d12679faeaa8c5d7" > Composition::getSpeciesIndex< / a > (< / div >
< div class = "line" > < a id = "l00486" name = "l00486" > < / a > < span class = "lineno" > 486< / span > < span class = "keyword" > const< / span > std::string & symbol< / div >
< div class = "line" > < a id = "l00487" name = "l00487" > < / a > < span class = "lineno" > 487< / span > )< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00488" name = "l00488" > < / a > < span class = "lineno" > 488< / span > < span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > species = getSpecies(symbol);< / div >
< div class = "line" > < a id = "l00489" name = "l00489" > < / a > < span class = "lineno" > 489< / span > < span class = "keywordflow" > if< / span > (!species) {< / div >
< div class = "line" > < a id = "l00490" name = "l00490" > < / a > < span class = "lineno" > 490< / span > throw_unknown_symbol(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), symbol);< / div >
< div class = "line" > < a id = "l00491" name = "l00491" > < / a > < span class = "lineno" > 491< / span > }< / div >
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< div class = "line" > < a id = "l00492" name = "l00492" > < / a > < span class = "lineno" > 492< / span > < / div >
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< div class = "line" > < a id = "l00493" name = "l00493" > < / a > < span class = "lineno" > 493< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a0d94f62402bb90b5d12679faeaa8c5d7" > getSpeciesIndex< / a > (species.value());< / div >
< div class = "line" > < a id = "l00494" name = "l00494" > < / a > < span class = "lineno" > 494< / span > }< / div >
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< / div >
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< div class = "line" > < a id = "l00495" name = "l00495" > < / a > < span class = "lineno" > 495< / span > < / div >
< div class = "foldopen" id = "foldopen00496" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00496" name = "l00496" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a3d220b42fa06d7d3a43944ee2b8f6a5f" > 496< / a > < / span > < span class = "keywordtype" > size_t< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a0d94f62402bb90b5d12679faeaa8c5d7" > Composition::getSpeciesIndex< / a > (< / div >
< div class = "line" > < a id = "l00497" name = "l00497" > < / a > < span class = "lineno" > 497< / span > < span class = "keyword" > const< / span > < a class = "code hl_struct" href = "structfourdst_1_1atomic_1_1Species.html" > atomic::Species< / a > & species< / div >
< div class = "line" > < a id = "l00498" name = "l00498" > < / a > < span class = "lineno" > 498< / span > )< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00499" name = "l00499" > < / a > < span class = "lineno" > 499< / span > < span class = "keywordflow" > if< / span > (!< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > m_registeredSpecies< / a > .contains(species)) {< / div >
< div class = "line" > < a id = "l00500" name = "l00500" > < / a > < span class = "lineno" > 500< / span > LOG_ERROR(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), < span class = "stringliteral" > " Species {} is not in the composition." < / span > , species.< a class = "code hl_function" href = "structfourdst_1_1atomic_1_1Species.html#a1fcc01fc978b34ba2531117f10be6741" > name< / a > ());< / div >
< div class = "line" > < a id = "l00501" name = "l00501" > < / a > < span class = "lineno" > 501< / span > < span class = "keywordflow" > throw< / span > < a class = "code hl_class" href = "classfourdst_1_1composition_1_1exceptions_1_1UnregisteredSymbolError.html" > exceptions::UnregisteredSymbolError< / a > (< span class = "stringliteral" > " Species " < / span > + std::string(species.< a class = "code hl_function" href = "structfourdst_1_1atomic_1_1Species.html#a1fcc01fc978b34ba2531117f10be6741" > name< / a > ()) + < span class = "stringliteral" > " is not in the composition." < / span > );< / div >
< div class = "line" > < a id = "l00502" name = "l00502" > < / a > < span class = "lineno" > 502< / span > }< / div >
< div class = "line" > < a id = "l00503" name = "l00503" > < / a > < span class = "lineno" > 503< / span > < span class = "keywordflow" > if< / span > (< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a14761ff2df5423884330e423ec38e98c" > sortedSpecies< / a > .has_value()) {< / div >
< div class = "line" > < a id = "l00504" name = "l00504" > < / a > < span class = "lineno" > 504< / span > < span class = "keywordflow" > return< / span > std::distance(< / div >
< div class = "line" > < a id = "l00505" name = "l00505" > < / a > < span class = "lineno" > 505< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a14761ff2df5423884330e423ec38e98c" > sortedSpecies< / a > -> begin(),< / div >
< div class = "line" > < a id = "l00506" name = "l00506" > < / a > < span class = "lineno" > 506< / span > std::ranges::find(< / div >
< div class = "line" > < a id = "l00507" name = "l00507" > < / a > < span class = "lineno" > 507< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a14761ff2df5423884330e423ec38e98c" > sortedSpecies< / a > .value().begin(),< / div >
< div class = "line" > < a id = "l00508" name = "l00508" > < / a > < span class = "lineno" > 508< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a14761ff2df5423884330e423ec38e98c" > sortedSpecies< / a > .value().end(),< / div >
< div class = "line" > < a id = "l00509" name = "l00509" > < / a > < span class = "lineno" > 509< / span > species< / div >
< div class = "line" > < a id = "l00510" name = "l00510" > < / a > < span class = "lineno" > 510< / span > )< / div >
< div class = "line" > < a id = "l00511" name = "l00511" > < / a > < span class = "lineno" > 511< / span > );< / div >
< div class = "line" > < a id = "l00512" name = "l00512" > < / a > < span class = "lineno" > 512< / span > }< / div >
< div class = "line" > < a id = "l00513" name = "l00513" > < / a > < span class = "lineno" > 513< / span > < / div >
< div class = "line" > < a id = "l00514" name = "l00514" > < / a > < span class = "lineno" > 514< / span > std::vector< atomic::Species> speciesVector;< / div >
< div class = "line" > < a id = "l00515" name = "l00515" > < / a > < span class = "lineno" > 515< / span > std::vector< double> speciesMass;< / div >
< div class = "line" > < a id = "l00516" name = "l00516" > < / a > < span class = "lineno" > 516< / span > < / div >
< div class = "line" > < a id = "l00517" name = "l00517" > < / a > < span class = "lineno" > 517< / span > speciesVector.reserve(< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .size());< / div >
< div class = "line" > < a id = "l00518" name = "l00518" > < / a > < span class = "lineno" > 518< / span > speciesMass.reserve(< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .size());< / div >
< div class = "line" > < a id = "l00519" name = "l00519" > < / a > < span class = "lineno" > 519< / span > < / div >
< div class = "line" > < a id = "l00520" name = "l00520" > < / a > < span class = "lineno" > 520< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & s: < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > m_registeredSpecies< / a > ) {< / div >
< div class = "line" > < a id = "l00521" name = "l00521" > < / a > < span class = "lineno" > 521< / span > speciesVector.emplace_back(s);< / div >
< div class = "line" > < a id = "l00522" name = "l00522" > < / a > < span class = "lineno" > 522< / span > speciesMass.push_back(s.mass());< / div >
< div class = "line" > < a id = "l00523" name = "l00523" > < / a > < span class = "lineno" > 523< / span > }< / div >
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< div class = "line" > < a id = "l00524" name = "l00524" > < / a > < span class = "lineno" > 524< / span > < / div >
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< div class = "line" > < a id = "l00525" name = "l00525" > < / a > < span class = "lineno" > 525< / span > std::vector< atomic::Species> sortedSpecies = sortVectorBy(speciesVector, speciesMass);< / div >
< div class = "line" > < a id = "l00526" name = "l00526" > < / a > < span class = "lineno" > 526< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a14761ff2df5423884330e423ec38e98c" > sortedSpecies< / a > = sortedSpecies;< / div >
< div class = "line" > < a id = "l00527" name = "l00527" > < / a > < span class = "lineno" > 527< / span > < span class = "keywordflow" > return< / span > std::distance(sortedSpecies.begin(), std::ranges::find(sortedSpecies, species));< / div >
< div class = "line" > < a id = "l00528" name = "l00528" > < / a > < span class = "lineno" > 528< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00529" name = "l00529" > < / a > < span class = "lineno" > 529< / span > < / div >
< div class = "foldopen" id = "foldopen00530" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00530" name = "l00530" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#ae4f854ded38f5e6fcd157a74a57cbf0c" > 530< / a > < / span > < a class = "code hl_struct" href = "structfourdst_1_1atomic_1_1Species.html" > atomic::Species< / a > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#ae4f854ded38f5e6fcd157a74a57cbf0c" > Composition::getSpeciesAtIndex< / a > (< / div >
< div class = "line" > < a id = "l00531" name = "l00531" > < / a > < span class = "lineno" > 531< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > size_t< / span > index< / div >
< div class = "line" > < a id = "l00532" name = "l00532" > < / a > < span class = "lineno" > 532< / span > )< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00533" name = "l00533" > < / a > < span class = "lineno" > 533< / span > < span class = "keywordflow" > if< / span > (< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a14761ff2df5423884330e423ec38e98c" > sortedSpecies< / a > .has_value()) {< / div >
< div class = "line" > < a id = "l00534" name = "l00534" > < / a > < span class = "lineno" > 534< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > m_cache< / a > .< a class = "code hl_variable" href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a14761ff2df5423884330e423ec38e98c" > sortedSpecies< / a > .value().at(index);< / div >
< div class = "line" > < a id = "l00535" name = "l00535" > < / a > < span class = "lineno" > 535< / span > }< / div >
< div class = "line" > < a id = "l00536" name = "l00536" > < / a > < span class = "lineno" > 536< / span > < / div >
< div class = "line" > < a id = "l00537" name = "l00537" > < / a > < span class = "lineno" > 537< / span > std::vector< atomic::Species> speciesVector;< / div >
< div class = "line" > < a id = "l00538" name = "l00538" > < / a > < span class = "lineno" > 538< / span > std::vector< double> speciesMass;< / div >
< div class = "line" > < a id = "l00539" name = "l00539" > < / a > < span class = "lineno" > 539< / span > < / div >
< div class = "line" > < a id = "l00540" name = "l00540" > < / a > < span class = "lineno" > 540< / span > speciesVector.reserve(< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .size());< / div >
< div class = "line" > < a id = "l00541" name = "l00541" > < / a > < span class = "lineno" > 541< / span > speciesMass.reserve(< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .size());< / div >
< div class = "line" > < a id = "l00542" name = "l00542" > < / a > < span class = "lineno" > 542< / span > < / div >
< div class = "line" > < a id = "l00543" name = "l00543" > < / a > < span class = "lineno" > 543< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & species: < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > m_registeredSpecies< / a > ) {< / div >
< div class = "line" > < a id = "l00544" name = "l00544" > < / a > < span class = "lineno" > 544< / span > speciesVector.emplace_back(species);< / div >
< div class = "line" > < a id = "l00545" name = "l00545" > < / a > < span class = "lineno" > 545< / span > speciesMass.push_back(species.mass());< / div >
< div class = "line" > < a id = "l00546" name = "l00546" > < / a > < span class = "lineno" > 546< / span > }< / div >
< div class = "line" > < a id = "l00547" name = "l00547" > < / a > < span class = "lineno" > 547< / span > < / div >
< div class = "line" > < a id = "l00548" name = "l00548" > < / a > < span class = "lineno" > 548< / span > std::vector< atomic::Species> sortedSymbols = sortVectorBy(speciesVector, speciesMass);< / div >
< div class = "line" > < a id = "l00549" name = "l00549" > < / a > < span class = "lineno" > 549< / span > < span class = "keywordflow" > if< / span > (index > = sortedSymbols.size()) {< / div >
< div class = "line" > < a id = "l00550" name = "l00550" > < / a > < span class = "lineno" > 550< / span > LOG_ERROR(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), < span class = "stringliteral" > " Index {} is out of range for composition of size {}." < / span > , index, sortedSymbols.size());< / div >
< div class = "line" > < a id = "l00551" name = "l00551" > < / a > < span class = "lineno" > 551< / span > < span class = "keywordflow" > throw< / span > std::out_of_range(< span class = "stringliteral" > " Index " < / span > + std::to_string(index) + < span class = "stringliteral" > " is out of range for composition of size " < / span > + std::to_string(sortedSymbols.size()) + < span class = "stringliteral" > " ." < / span > );< / div >
< div class = "line" > < a id = "l00552" name = "l00552" > < / a > < span class = "lineno" > 552< / span > }< / div >
< div class = "line" > < a id = "l00553" name = "l00553" > < / a > < span class = "lineno" > 553< / span > < span class = "keywordflow" > return< / span > sortedSymbols.at(index);< / div >
< div class = "line" > < a id = "l00554" name = "l00554" > < / a > < span class = "lineno" > 554< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00555" name = "l00555" > < / a > < span class = "lineno" > 555< / span > < / div >
< div class = "foldopen" id = "foldopen00556" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00556" name = "l00556" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a5a1f5661a329ec7bc8b7e118ff9d6c25" > 556< / a > < / span > std::unique_ptr< CompositionAbstract> < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a5a1f5661a329ec7bc8b7e118ff9d6c25" > Composition::clone< / a > ()< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00557" name = "l00557" > < / a > < span class = "lineno" > 557< / span > < span class = "keywordflow" > return< / span > std::make_unique< Composition> (*< span class = "keyword" > this< / span > );< / div >
< div class = "line" > < a id = "l00558" name = "l00558" > < / a > < span class = "lineno" > 558< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00559" name = "l00559" > < / a > < span class = "lineno" > 559< / span > < / div >
< div class = "foldopen" id = "foldopen00560" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00560" name = "l00560" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a194f715788e7921bd611579440de2ecd" > 560< / a > < / span > < span class = "keywordtype" > bool< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a194f715788e7921bd611579440de2ecd" > Composition::contains< / a > (< / div >
< div class = "line" > < a id = "l00561" name = "l00561" > < / a > < span class = "lineno" > 561< / span > < span class = "keyword" > const< / span > < a class = "code hl_struct" href = "structfourdst_1_1atomic_1_1Species.html" > atomic::Species< / a > & species< / div >
< div class = "line" > < a id = "l00562" name = "l00562" > < / a > < span class = "lineno" > 562< / span > ) < span class = "keyword" > const< / span > < span class = "keyword" > noexcept< / span > {< / div >
< div class = "line" > < a id = "l00563" name = "l00563" > < / a > < span class = "lineno" > 563< / span > < span class = "keywordflow" > return< / span > m_registeredSpecies.contains(species);< / div >
< div class = "line" > < a id = "l00564" name = "l00564" > < / a > < span class = "lineno" > 564< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00565" name = "l00565" > < / a > < span class = "lineno" > 565< / span > < / div >
< div class = "foldopen" id = "foldopen00566" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00566" name = "l00566" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#ac3bfb56a2587215a59894e76d4867ede" > 566< / a > < / span > < span class = "keywordtype" > bool< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a194f715788e7921bd611579440de2ecd" > Composition::contains< / a > (< / div >
< div class = "line" > < a id = "l00567" name = "l00567" > < / a > < span class = "lineno" > 567< / span > < span class = "keyword" > const< / span > std::string & symbol< / div >
< div class = "line" > < a id = "l00568" name = "l00568" > < / a > < span class = "lineno" > 568< / span > )< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00569" name = "l00569" > < / a > < span class = "lineno" > 569< / span > < span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > species = getSpecies(symbol);< / div >
< div class = "line" > < a id = "l00570" name = "l00570" > < / a > < span class = "lineno" > 570< / span > < span class = "keywordflow" > if< / span > (!species) {< / div >
< div class = "line" > < a id = "l00571" name = "l00571" > < / a > < span class = "lineno" > 571< / span > throw_unknown_symbol(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), symbol);< / div >
< div class = "line" > < a id = "l00572" name = "l00572" > < / a > < span class = "lineno" > 572< / span > }< / div >
< div class = "line" > < a id = "l00573" name = "l00573" > < / a > < span class = "lineno" > 573< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a194f715788e7921bd611579440de2ecd" > contains< / a > (species.value());< / div >
< div class = "line" > < a id = "l00574" name = "l00574" > < / a > < span class = "lineno" > 574< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00575" name = "l00575" > < / a > < span class = "lineno" > 575< / span > < / div >
< div class = "foldopen" id = "foldopen00576" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00576" name = "l00576" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a9d177d36b728442bcbd8cb66712c7c75" > 576< / a > < / span > < span class = "keywordtype" > size_t< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a9d177d36b728442bcbd8cb66712c7c75" > Composition::size< / a > () const noexcept {< / div >
< div class = "line" > < a id = "l00577" name = "l00577" > < / a > < span class = "lineno" > 577< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > m_registeredSpecies< / a > .size();< / div >
< div class = "line" > < a id = "l00578" name = "l00578" > < / a > < span class = "lineno" > 578< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00579" name = "l00579" > < / a > < span class = "lineno" > 579< / span > < / div >
< div class = "foldopen" id = "foldopen00580" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00580" name = "l00580" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > 580< / a > < / span > < span class = "keywordtype" > void< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > Composition::setMolarAbundance< / a > (< / div >
< div class = "line" > < a id = "l00581" name = "l00581" > < / a > < span class = "lineno" > 581< / span > < span class = "keyword" > const< / span > std::string & symbol,< / div >
< div class = "line" > < a id = "l00582" name = "l00582" > < / a > < span class = "lineno" > 582< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > & molar_abundance< / div >
< div class = "line" > < a id = "l00583" name = "l00583" > < / a > < span class = "lineno" > 583< / span > ) {< / div >
< div class = "line" > < a id = "l00584" name = "l00584" > < / a > < span class = "lineno" > 584< / span > < span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > species = getSpecies(symbol);< / div >
< div class = "line" > < a id = "l00585" name = "l00585" > < / a > < span class = "lineno" > 585< / span > < span class = "keywordflow" > if< / span > (!species) {< / div >
< div class = "line" > < a id = "l00586" name = "l00586" > < / a > < span class = "lineno" > 586< / span > throw_unknown_symbol(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), symbol);< / div >
< div class = "line" > < a id = "l00587" name = "l00587" > < / a > < span class = "lineno" > 587< / span > }< / div >
< div class = "line" > < a id = "l00588" name = "l00588" > < / a > < span class = "lineno" > 588< / span > < / div >
< div class = "line" > < a id = "l00589" name = "l00589" > < / a > < span class = "lineno" > 589< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > setMolarAbundance< / a > (species.value(), molar_abundance);< / div >
< div class = "line" > < a id = "l00590" name = "l00590" > < / a > < span class = "lineno" > 590< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00591" name = "l00591" > < / a > < span class = "lineno" > 591< / span > < / div >
< div class = "foldopen" id = "foldopen00592" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00592" name = "l00592" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#ac386709ef1e872fa558b8e30fc8b4c44" > 592< / a > < / span > < span class = "keywordtype" > void< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > Composition::setMolarAbundance< / a > (< / div >
< div class = "line" > < a id = "l00593" name = "l00593" > < / a > < span class = "lineno" > 593< / span > < span class = "keyword" > const< / span > < a class = "code hl_struct" href = "structfourdst_1_1atomic_1_1Species.html" > atomic::Species< / a > & species,< / div >
< div class = "line" > < a id = "l00594" name = "l00594" > < / a > < span class = "lineno" > 594< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > & molar_abundance< / div >
< div class = "line" > < a id = "l00595" name = "l00595" > < / a > < span class = "lineno" > 595< / span > ) {< / div >
< div class = "line" > < a id = "l00596" name = "l00596" > < / a > < span class = "lineno" > 596< / span > < span class = "keywordflow" > if< / span > (!< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > m_registeredSpecies< / a > .contains(species)) {< / div >
< div class = "line" > < a id = "l00597" name = "l00597" > < / a > < span class = "lineno" > 597< / span > throw_unregistered_symbol(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), std::string(species.< a class = "code hl_function" href = "structfourdst_1_1atomic_1_1Species.html#a1fcc01fc978b34ba2531117f10be6741" > name< / a > ()));< / div >
< div class = "line" > < a id = "l00598" name = "l00598" > < / a > < span class = "lineno" > 598< / span > }< / div >
< div class = "line" > < a id = "l00599" name = "l00599" > < / a > < span class = "lineno" > 599< / span > < span class = "keywordflow" > if< / span > (molar_abundance < 0.0) {< / div >
< div class = "line" > < a id = "l00600" name = "l00600" > < / a > < span class = "lineno" > 600< / span > LOG_ERROR(< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > getLogger< / a > (), < span class = "stringliteral" > " Molar abundance must be non-negative for symbol {}. Currently it is {}." < / span > , species.< a class = "code hl_function" href = "structfourdst_1_1atomic_1_1Species.html#a1fcc01fc978b34ba2531117f10be6741" > name< / a > (), molar_abundance);< / div >
< div class = "line" > < a id = "l00601" name = "l00601" > < / a > < span class = "lineno" > 601< / span > < span class = "keywordflow" > throw< / span > < a class = "code hl_class" href = "classfourdst_1_1composition_1_1exceptions_1_1InvalidCompositionError.html" > exceptions::InvalidCompositionError< / a > (< span class = "stringliteral" > " Molar abundance must be non-negative, got " < / span > + std::to_string(molar_abundance) + < span class = "stringliteral" > " for symbol " < / span > + std::string(species.< a class = "code hl_function" href = "structfourdst_1_1atomic_1_1Species.html#a1fcc01fc978b34ba2531117f10be6741" > name< / a > ()) + < span class = "stringliteral" > " ." < / span > );< / div >
< div class = "line" > < a id = "l00602" name = "l00602" > < / a > < span class = "lineno" > 602< / span > }< / div >
< div class = "line" > < a id = "l00603" name = "l00603" > < / a > < span class = "lineno" > 603< / span > < a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > m_molarAbundances< / a > .at(species) = molar_abundance;< / div >
< div class = "line" > < a id = "l00604" name = "l00604" > < / a > < span class = "lineno" > 604< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00605" name = "l00605" > < / a > < span class = "lineno" > 605< / span > < / div >
< div class = "foldopen" id = "foldopen00606" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00606" name = "l00606" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a6baa22b92a78fd43d10d4941f30c8ac2" > 606< / a > < / span > < span class = "keywordtype" > void< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > Composition::setMolarAbundance< / a > (< / div >
< div class = "line" > < a id = "l00607" name = "l00607" > < / a > < span class = "lineno" > 607< / span > < span class = "keyword" > const< / span > std::vector< std::string> & symbols,< / div >
< div class = "line" > < a id = "l00608" name = "l00608" > < / a > < span class = "lineno" > 608< / span > < span class = "keyword" > const< / span > std::vector< double> & molar_abundances< / div >
< div class = "line" > < a id = "l00609" name = "l00609" > < / a > < span class = "lineno" > 609< / span > ) {< / div >
< div class = "line" > < a id = "l00610" name = "l00610" > < / a > < span class = "lineno" > 610< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [symbol, y] : std::views::zip(symbols, molar_abundances)) {< / div >
< div class = "line" > < a id = "l00611" name = "l00611" > < / a > < span class = "lineno" > 611< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > setMolarAbundance< / a > (symbol, y);< / div >
< div class = "line" > < a id = "l00612" name = "l00612" > < / a > < span class = "lineno" > 612< / span > }< / div >
< div class = "line" > < a id = "l00613" name = "l00613" > < / a > < span class = "lineno" > 613< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00614" name = "l00614" > < / a > < span class = "lineno" > 614< / span > < / div >
< div class = "foldopen" id = "foldopen00615" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00615" name = "l00615" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#ae908cda3a994292e2eb767fa476b666b" > 615< / a > < / span > < span class = "keywordtype" > void< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > Composition::setMolarAbundance< / a > (< / div >
< div class = "line" > < a id = "l00616" name = "l00616" > < / a > < span class = "lineno" > 616< / span > < span class = "keyword" > const< / span > std::vector< atomic::Species> & species,< / div >
< div class = "line" > < a id = "l00617" name = "l00617" > < / a > < span class = "lineno" > 617< / span > < span class = "keyword" > const< / span > std::vector< double> & molar_abundances< / div >
< div class = "line" > < a id = "l00618" name = "l00618" > < / a > < span class = "lineno" > 618< / span > ) {< / div >
< div class = "line" > < a id = "l00619" name = "l00619" > < / a > < span class = "lineno" > 619< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [s, y] : std::views::zip(species, molar_abundances)) {< / div >
< div class = "line" > < a id = "l00620" name = "l00620" > < / a > < span class = "lineno" > 620< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > setMolarAbundance< / a > (s, y);< / div >
< div class = "line" > < a id = "l00621" name = "l00621" > < / a > < span class = "lineno" > 621< / span > }< / div >
< div class = "line" > < a id = "l00622" name = "l00622" > < / a > < span class = "lineno" > 622< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00623" name = "l00623" > < / a > < span class = "lineno" > 623< / span > < / div >
< div class = "foldopen" id = "foldopen00624" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00624" name = "l00624" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a49b06737a50df9c25a234499a1431388" > 624< / a > < / span > < span class = "keywordtype" > void< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > Composition::setMolarAbundance< / a > (< / div >
< div class = "line" > < a id = "l00625" name = "l00625" > < / a > < span class = "lineno" > 625< / span > < span class = "keyword" > const< / span > std::set< std::string> & symbols,< / div >
< div class = "line" > < a id = "l00626" name = "l00626" > < / a > < span class = "lineno" > 626< / span > < span class = "keyword" > const< / span > std::vector< double> & molar_abundances< / div >
< div class = "line" > < a id = "l00627" name = "l00627" > < / a > < span class = "lineno" > 627< / span > ) {< / div >
< div class = "line" > < a id = "l00628" name = "l00628" > < / a > < span class = "lineno" > 628< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [symbol, y] : std::views::zip(symbols, molar_abundances)) {< / div >
< div class = "line" > < a id = "l00629" name = "l00629" > < / a > < span class = "lineno" > 629< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > setMolarAbundance< / a > (symbol, y);< / div >
< div class = "line" > < a id = "l00630" name = "l00630" > < / a > < span class = "lineno" > 630< / span > }< / div >
< div class = "line" > < a id = "l00631" name = "l00631" > < / a > < span class = "lineno" > 631< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00632" name = "l00632" > < / a > < span class = "lineno" > 632< / span > < / div >
< div class = "foldopen" id = "foldopen00633" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00633" name = "l00633" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#ad7af2f8f3050969a6c5b9a9ef5fead64" > 633< / a > < / span > < span class = "keywordtype" > void< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > Composition::setMolarAbundance< / a > (< / div >
< div class = "line" > < a id = "l00634" name = "l00634" > < / a > < span class = "lineno" > 634< / span > < span class = "keyword" > const< / span > std::set< atomic::Species> & species,< / div >
< div class = "line" > < a id = "l00635" name = "l00635" > < / a > < span class = "lineno" > 635< / span > < span class = "keyword" > const< / span > std::vector< double> & molar_abundances< / div >
< div class = "line" > < a id = "l00636" name = "l00636" > < / a > < span class = "lineno" > 636< / span > ) {< / div >
< div class = "line" > < a id = "l00637" name = "l00637" > < / a > < span class = "lineno" > 637< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & [s, y] : std::views::zip(species, molar_abundances)) {< / div >
< div class = "line" > < a id = "l00638" name = "l00638" > < / a > < span class = "lineno" > 638< / span > < a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > setMolarAbundance< / a > (s, y);< / div >
< div class = "line" > < a id = "l00639" name = "l00639" > < / a > < span class = "lineno" > 639< / span > }< / div >
< div class = "line" > < a id = "l00640" name = "l00640" > < / a > < span class = "lineno" > 640< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00641" name = "l00641" > < / a > < span class = "lineno" > 641< / span > < / div >
< div class = "line" > < a id = "l00643" name = "l00643" > < / a > < span class = "lineno" > 643< / span > < / div >
< div class = "foldopen" id = "foldopen00644" data-start = "{" data-end = "};" >
< div class = "line" > < a id = "l00644" name = "l00644" > < / a > < span class = "lineno" > < a class = "line" href = "classfourdst_1_1composition_1_1Composition.html#a36c2525d21cd932065bb2bb30bc57fb4" > 644< / a > < / span > std::ostream& < a class = "code hl_function" href = "namespacefourdst_1_1composition.html#a5e8ccc2bd9e91eebcd3ef5fe470163a1" > operator< < < / a > (< / div >
< div class = "line" > < a id = "l00645" name = "l00645" > < / a > < span class = "lineno" > 645< / span > std::ostream& os,< / div >
< div class = "line" > < a id = "l00646" name = "l00646" > < / a > < span class = "lineno" > 646< / span > < span class = "keyword" > const< / span > < a class = "code hl_class" href = "classfourdst_1_1composition_1_1Composition.html" > Composition< / a > & composition< / div >
< div class = "line" > < a id = "l00647" name = "l00647" > < / a > < span class = "lineno" > 647< / span > ) {< / div >
< div class = "line" > < a id = "l00648" name = "l00648" > < / a > < span class = "lineno" > 648< / span > os < < < span class = "stringliteral" > " Composition(Mass Fractions => [" < / span > ;< / div >
< div class = "line" > < a id = "l00649" name = "l00649" > < / a > < span class = "lineno" > 649< / span > < span class = "keywordtype" > size_t< / span > count = 0;< / div >
< div class = "line" > < a id = "l00650" name = "l00650" > < / a > < span class = "lineno" > 650< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & species : composition.< a class = "code hl_variable" href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > m_registeredSpecies< / a > ) {< / div >
< div class = "line" > < a id = "l00651" name = "l00651" > < / a > < span class = "lineno" > 651< / span > os < < species < < < span class = "stringliteral" > " : " < / span > < < composition.< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a9ea2b673341fdc67afeb0f0517a54c8c" > getMassFraction< / a > (species);< / div >
< div class = "line" > < a id = "l00652" name = "l00652" > < / a > < span class = "lineno" > 652< / span > < span class = "keywordflow" > if< / span > (count < composition.< a class = "code hl_function" href = "classfourdst_1_1composition_1_1Composition.html#a9d177d36b728442bcbd8cb66712c7c75" > size< / a > () - 1) {< / div >
< div class = "line" > < a id = "l00653" name = "l00653" > < / a > < span class = "lineno" > 653< / span > os < < < span class = "stringliteral" > " , " < / span > ;< / div >
< div class = "line" > < a id = "l00654" name = "l00654" > < / a > < span class = "lineno" > 654< / span > }< / div >
< div class = "line" > < a id = "l00655" name = "l00655" > < / a > < span class = "lineno" > 655< / span > count++;< / div >
< div class = "line" > < a id = "l00656" name = "l00656" > < / a > < span class = "lineno" > 656< / span > }< / div >
< div class = "line" > < a id = "l00657" name = "l00657" > < / a > < span class = "lineno" > 657< / span > os < < < span class = "stringliteral" > " ])" < / span > ;< / div >
< div class = "line" > < a id = "l00658" name = "l00658" > < / a > < span class = "lineno" > 658< / span > < span class = "keywordflow" > return< / span > os;< / div >
< div class = "line" > < a id = "l00659" name = "l00659" > < / a > < span class = "lineno" > 659< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00660" name = "l00660" > < / a > < span class = "lineno" > 660< / span > < / div >
< div class = "line" > < a id = "l00661" name = "l00661" > < / a > < span class = "lineno" > 661< / span > } < span class = "comment" > // namespace fourdst::composition< / span > < / div >
< div class = "ttc" id = "aatomicSpecies_8h_html" > < div class = "ttname" > < a href = "atomicSpecies_8h.html" > atomicSpecies.h< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1CompositionAbstract_html" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1CompositionAbstract.html" > fourdst::composition::CompositionAbstract< / a > < / div > < div class = "ttdoc" > Abstract base class for chemical composition representations.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition__abstract_8h_source.html#l00036" > composition_abstract.h:36< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1CompositionAbstract_html_a29613d8197cee96f764aeeaa3b7286f8" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1CompositionAbstract.html#a29613d8197cee96f764aeeaa3b7286f8" > fourdst::composition::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 >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1CompositionAbstract_html_a7e17ffec871ac543624a4b0eee147cc2" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1CompositionAbstract.html#a7e17ffec871ac543624a4b0eee147cc2" > fourdst::composition::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 >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html" > fourdst::composition::Composition< / a > < / div > < div class = "ttdoc" > Manages a collection of chemical species and their abundances.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8h_source.html#l00098" > composition.h:98< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a02cd9d9608da082a200fdfa86d14bf5d" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a02cd9d9608da082a200fdfa86d14bf5d" > fourdst::composition::Composition::m_cache< / a > < / div > < div class = "ttdeci" > CompositionCache m_cache< / div > < div class = "ttdoc" > Cache for computed properties to avoid redundant calculations.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8h_source.html#l00153" > composition.h:153< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a0d94f62402bb90b5d12679faeaa8c5d7" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a0d94f62402bb90b5d12679faeaa8c5d7" > fourdst::composition::Composition::getSpeciesIndex< / a > < / div > < div class = "ttdeci" > size_t getSpeciesIndex(const std::string & symbol) const override< / div > < div class = "ttdoc" > get the index in the sorted vector representation for a given symbol< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00485" > composition.cpp:485< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a194f715788e7921bd611579440de2ecd" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a194f715788e7921bd611579440de2ecd" > fourdst::composition::Composition::contains< / a > < / div > < div class = "ttdeci" > bool contains(const atomic::Species & species) const noexcept override< / div > < div class = "ttdoc" > Checks if a given species is present in the composition.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00560" > composition.cpp:560< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a1f87ed64a1be9a6091c852131d24e476" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a1f87ed64a1be9a6091c852131d24e476" > fourdst::composition::Composition::getNumberFraction< / a > < / div > < div class = "ttdeci" > std::unordered_map< atomic::Species, double > getNumberFraction() const noexcept override< / 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#l00330" > composition.cpp:330< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a23b83b76ee025f6fc009184ee19bba88" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a23b83b76ee025f6fc009184ee19bba88" > fourdst::composition::Composition::Composition< / a > < / div > < div class = "ttdeci" > Composition()=default< / div > < div class = "ttdoc" > Default constructor.< / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a262d7133035d4e6f45daa81827abf5e7" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a262d7133035d4e6f45daa81827abf5e7" > fourdst::composition::Composition::setMolarAbundance< / a > < / div > < div class = "ttdeci" > void setMolarAbundance(const std::string & symbol, const double & molar_abundance)< / div > < div class = "ttdoc" > Sets the molar abundance for a given symbol.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00580" > composition.cpp:580< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a33db253ca50431b5166d43412ff18f71" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a33db253ca50431b5166d43412ff18f71" > fourdst::composition::Composition::getRegisteredSpecies< / a > < / div > < div class = "ttdeci" > const std::set< atomic::Species > & getRegisteredSpecies() const noexcept override< / div > < div class = "ttdoc" > Get a set of all species that are registered in the composition.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00269" > composition.cpp:269< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a392a34c19f45d6c936cc7030e6cfaf3f" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a392a34c19f45d6c936cc7030e6cfaf3f" > fourdst::composition::Composition::registerSpecies< / a > < / div > < div class = "ttdeci" > void registerSpecies(const atomic::Species & species) noexcept< / div > < div class = "ttdoc" > Registers a new species by extracting its symbol.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00244" > composition.cpp:244< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a3ab4dcda0bfd1a35b169bcc57fe66725" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a3ab4dcda0bfd1a35b169bcc57fe66725" > fourdst::composition::Composition::registerSymbol< / a > < / div > < div class = "ttdeci" > void registerSymbol(const std::string & symbol)< / div > < div class = "ttdoc" > Registers a new symbol for inclusion in the composition.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00225" > composition.cpp:225< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a3ae885c28580ae15be8c16614bef3b0e" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a3ae885c28580ae15be8c16614bef3b0e" > fourdst::composition::Composition::getRegisteredSymbols< / a > < / div > < div class = "ttdeci" > std::set< std::string > getRegisteredSymbols() const noexcept override< / div > < div class = "ttdoc" > Gets the registered symbols.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00261" > composition.cpp:261< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a452b0affb86dc971a96c80d01f4fcb2b" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a452b0affb86dc971a96c80d01f4fcb2b" > fourdst::composition::Composition::m_registeredSpecies< / a > < / div > < div class = "ttdeci" > std::set< atomic::Species > m_registeredSpecies< / div > < div class = "ttdoc" > Set of registered species in the composition.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8h_source.html#l00150" > composition.h:150< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a46a706f9e4c06a45b45ae3dffdde5e9e" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a46a706f9e4c06a45b45ae3dffdde5e9e" > fourdst::composition::Composition::getLogger< / a > < / div > < div class = "ttdeci" > static quill::Logger * getLogger()< / div > < div class = "ttdoc" > Gets the logger instance for the Composition class. This is static to ensure that all composition obj...< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8h_source.html#l00145" > composition.h:145< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a4ec1e23cfecef764cb831171fed62fc2" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a4ec1e23cfecef764cb831171fed62fc2" > fourdst::composition::Composition::operator=< / a > < / div > < div class = "ttdeci" > Composition & operator=(Composition const & other)< / div > < div class = "ttdoc" > Assignment operator.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00215" > composition.cpp:215< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a5a1f5661a329ec7bc8b7e118ff9d6c25" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a5a1f5661a329ec7bc8b7e118ff9d6c25" > fourdst::composition::Composition::clone< / a > < / div > < div class = "ttdeci" > std::unique_ptr< CompositionAbstract > clone() const override< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00556" > composition.cpp:556< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a90fc71d1fe03017ee4c7a1cac69d24fb" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a90fc71d1fe03017ee4c7a1cac69d24fb" > fourdst::composition::Composition::getElectronAbundance< / a > < / div > < div class = "ttdeci" > double getElectronAbundance() const noexcept override< / div > < div class = "ttdoc" > Compute the electron abundance of the composition.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00368" > composition.cpp:368< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a9d177d36b728442bcbd8cb66712c7c75" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a9d177d36b728442bcbd8cb66712c7c75" > fourdst::composition::Composition::size< / a > < / div > < div class = "ttdeci" > size_t size() const noexcept override< / div > < div class = "ttdoc" > Gets the number of registered species in the composition.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00576" > composition.cpp:576< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_a9ea2b673341fdc67afeb0f0517a54c8c" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#a9ea2b673341fdc67afeb0f0517a54c8c" > fourdst::composition::Composition::getMassFraction< / a > < / div > < div class = "ttdeci" > std::unordered_map< atomic::Species, double > getMassFraction() const noexcept override< / div > < div class = "ttdoc" > Gets the mass fractions of all species in the composition.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00298" > composition.cpp:298< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_aa05a640e0ea80142682bf4ee30a93c7f" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#aa05a640e0ea80142682bf4ee30a93c7f" > fourdst::composition::Composition::m_molarAbundances< / a > < / div > < div class = "ttdeci" > std::map< atomic::Species, double > m_molarAbundances< / div > < div class = "ttdoc" > Map of species to their molar abundances.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8h_source.html#l00151" > composition.h:151< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_aac5b214a3d1278e127422224cb9cee50" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#aac5b214a3d1278e127422224cb9cee50" > fourdst::composition::Composition::getCanonicalComposition< / a > < / div > < div class = "ttdeci" > CanonicalComposition getCanonicalComposition() const< / div > < div class = "ttdoc" > Compute the canonical composition (X, Y, Z) of the composition.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00377" > composition.cpp:377< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_abcb391f5fca2b636127e48e681e4c3ee" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#abcb391f5fca2b636127e48e681e4c3ee" > fourdst::composition::Composition::getMolarAbundanceVector< / a > < / div > < div class = "ttdeci" > std::vector< double > getMolarAbundanceVector() const noexcept override< / div > < div class = "ttdoc" > Get a uniform vector representation of the molar abundances stored in the composition object sorted s...< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00463" > composition.cpp:463< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_add67a92d73e3a57a2bbdb52bc9ca3bfe" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#add67a92d73e3a57a2bbdb52bc9ca3bfe" > fourdst::composition::Composition::getMolarAbundance< / a > < / div > < div class = "ttdeci" > double getMolarAbundance(const std::string & symbol) const override< / div > < div class = "ttdoc" > Gets the molar abundances of all species in the composition.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00338" > composition.cpp:338< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_ae4f72972cf4d1ff422d0790080e11473" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#ae4f72972cf4d1ff422d0790080e11473" > fourdst::composition::Composition::getNumberFractionVector< / a > < / div > < div class = "ttdeci" > std::vector< double > getNumberFractionVector() const noexcept override< / div > < div class = "ttdoc" > Get a uniform vector representation of the number fractions stored in the composition object sorted s...< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00442" > composition.cpp:442< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_ae4f854ded38f5e6fcd157a74a57cbf0c" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#ae4f854ded38f5e6fcd157a74a57cbf0c" > fourdst::composition::Composition::getSpeciesAtIndex< / a > < / div > < div class = "ttdeci" > atomic::Species getSpeciesAtIndex(size_t index) const override< / div > < div class = "ttdoc" > Get the species at a given index in the sorted vector representation.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00530" > composition.cpp:530< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_af4f44aaf8b7e0d63872a70b5e2131369" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#af4f44aaf8b7e0d63872a70b5e2131369" > fourdst::composition::Composition::getMassFractionVector< / a > < / div > < div class = "ttdeci" > std::vector< double > getMassFractionVector() const noexcept override< / div > < div class = "ttdoc" > Get a uniform vector representation of the mass fraction stored in the composition object sorted such...< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00420" > composition.cpp:420< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1Composition_html_afbbb5e51ad5ae5c0fa6bc0094195aecd" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1Composition.html#afbbb5e51ad5ae5c0fa6bc0094195aecd" > fourdst::composition::Composition::getMeanParticleMass< / a > < / div > < div class = "ttdeci" > double getMeanParticleMass() const noexcept override< / div > < div class = "ttdoc" > Compute the mean particle mass of the composition.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00358" > composition.cpp:358< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1exceptions_1_1InvalidCompositionError_html" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1exceptions_1_1InvalidCompositionError.html" > fourdst::composition::exceptions::InvalidCompositionError< / a > < / div > < div class = "ttdoc" > Exception thrown when a composition is in an invalid or inconsistent state.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "exceptions__composition_8h_source.html#l00041" > exceptions_composition.h:41< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1exceptions_1_1UnknownSymbolError_html" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1exceptions_1_1UnknownSymbolError.html" > fourdst::composition::exceptions::UnknownSymbolError< / a > < / div > < div class = "ttdoc" > Exception thrown when an unknown symbol is encountered.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "exceptions__composition_8h_source.html#l00077" > exceptions_composition.h:77< / a > < / div > < / div >
< div class = "ttc" id = "aclassfourdst_1_1composition_1_1exceptions_1_1UnregisteredSymbolError_html" > < div class = "ttname" > < a href = "classfourdst_1_1composition_1_1exceptions_1_1UnregisteredSymbolError.html" > fourdst::composition::exceptions::UnregisteredSymbolError< / a > < / div > < div class = "ttdoc" > Exception thrown when a symbol is used that has not been registered.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "exceptions__composition_8h_source.html#l00051" > exceptions_composition.h:51< / a > < / div > < / div >
2025-07-24 09:35:52 -04:00
< div class = "ttc" id = "acomposition_8h_html" > < div class = "ttname" > < a href = "composition_8h.html" > composition.h< / a > < / div > < / div >
< div class = "ttc" id = "aexceptions__composition_8h_html" > < div class = "ttname" > < a href = "exceptions__composition_8h.html" > exceptions_composition.h< / a > < / div > < / div >
2025-11-08 06:42:51 -05:00
< div class = "ttc" id = "anamespacefourdst_1_1atomic_html" > < div class = "ttname" > < a href = "namespacefourdst_1_1atomic.html" > fourdst::atomic< / a > < / div > < div class = "ttdoc" > Contains canonical information about atomic species and elements used by 4D-STAR.< / div > < / div >
2025-10-12 10:22:43 -04:00
< div class = "ttc" id = "anamespacefourdst_1_1atomic_html_a3f619cc8f8b2cd718a4082c6adb0de90" > < div class = "ttname" > < a href = "namespacefourdst_1_1atomic.html#a3f619cc8f8b2cd718a4082c6adb0de90" > fourdst::atomic::species< / a > < / div > < div class = "ttdeci" > static const std::unordered_map< std::string, const Species & > species< / div > < div class = "ttdoc" > Map of species names to their corresponding Species objects.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "species_8h_source.html#l03579" > species.h:3579< / a > < / div > < / div >
2025-11-08 06:42:51 -05:00
< div class = "ttc" id = "anamespacefourdst_1_1composition_html" > < div class = "ttname" > < a href = "namespacefourdst_1_1composition.html" > fourdst::composition< / a > < / div > < div class = "ttdoc" > Utilities and types for representing and manipulating chemical compositions.< / div > < / div >
2025-11-27 17:47:38 -05:00
< div class = "ttc" id = "anamespacefourdst_1_1composition_html_a5e8ccc2bd9e91eebcd3ef5fe470163a1" > < div class = "ttname" > < a href = "namespacefourdst_1_1composition.html#a5e8ccc2bd9e91eebcd3ef5fe470163a1" > fourdst::composition::operator< < < / a > < / div > < div class = "ttdeci" > std::ostream & operator< < (std::ostream & os, const Composition & composition)< / div > < div class = "ttdoc" > OVERLOADS.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8cpp_source.html#l00644" > composition.cpp:644< / a > < / div > < / div >
2025-07-24 09:35:52 -04:00
< div class = "ttc" id = "aspecies_8h_html" > < div class = "ttname" > < a href = "species_8h.html" > species.h< / a > < / div > < / div >
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< div class = "ttc" id = "astructfourdst_1_1atomic_1_1Species_html" > < div class = "ttname" > < a href = "structfourdst_1_1atomic_1_1Species.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 = "atomicSpecies_8h_source.html#l00051" > atomicSpecies.h:51< / a > < / div > < / div >
< div class = "ttc" id = "astructfourdst_1_1atomic_1_1Species_html_a1fcc01fc978b34ba2531117f10be6741" > < div class = "ttname" > < a href = "structfourdst_1_1atomic_1_1Species.html#a1fcc01fc978b34ba2531117f10be6741" > fourdst::atomic::Species::name< / a > < / div > < div class = "ttdeci" > std::string_view name() const< / div > < div class = "ttdoc" > Gets the name of the species.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "atomicSpecies_8h_source.html#l00210" > atomicSpecies.h:210< / a > < / div > < / div >
< div class = "ttc" id = "astructfourdst_1_1composition_1_1CanonicalComposition_html" > < div class = "ttname" > < a href = "structfourdst_1_1composition_1_1CanonicalComposition.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 = "composition_8h_source.html#l00045" > composition.h:45< / a > < / div > < / div >
< div class = "ttc" id = "astructfourdst_1_1composition_1_1CanonicalComposition_html_a93927bfccc5d2b3906565d092ed4f7f4" > < div class = "ttname" > < a href = "structfourdst_1_1composition_1_1CanonicalComposition.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 = "composition_8h_source.html#l00047" > composition.h:47< / a > < / div > < / div >
< div class = "ttc" id = "astructfourdst_1_1composition_1_1CanonicalComposition_html_abe5b01574242f8eaabd00c3d653291f7" > < div class = "ttname" > < a href = "structfourdst_1_1composition_1_1CanonicalComposition.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 = "composition_8h_source.html#l00046" > composition.h:46< / a > < / div > < / div >
< div class = "ttc" id = "astructfourdst_1_1composition_1_1CanonicalComposition_html_ae1981f5ddd36abd17a4a69fa1f43de18" > < div class = "ttname" > < a href = "structfourdst_1_1composition_1_1CanonicalComposition.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 = "composition_8h_source.html#l00048" > composition.h:48< / a > < / div > < / div >
< div class = "ttc" id = "astructfourdst_1_1composition_1_1Composition_1_1CompositionCache_html_a14761ff2df5423884330e423ec38e98c" > < div class = "ttname" > < a href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a14761ff2df5423884330e423ec38e98c" > fourdst::composition::Composition::CompositionCache::sortedSpecies< / a > < / div > < div class = "ttdeci" > std::optional< std::vector< atomic::Species > > sortedSpecies< / div > < div class = "ttdoc" > Cached vector of sorted species (by mass).< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8h_source.html#l00112" > composition.h:112< / a > < / div > < / div >
< div class = "ttc" id = "astructfourdst_1_1composition_1_1Composition_1_1CompositionCache_html_a41ce9d6b4a0f00030e3027b23c0269fb" > < div class = "ttname" > < a href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a41ce9d6b4a0f00030e3027b23c0269fb" > fourdst::composition::Composition::CompositionCache::numberFractions< / a > < / div > < div class = "ttdeci" > std::optional< std::vector< double > > numberFractions< / div > < div class = "ttdoc" > Cached vector of number fractions.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8h_source.html#l00110" > composition.h:110< / a > < / div > < / div >
< div class = "ttc" id = "astructfourdst_1_1composition_1_1Composition_1_1CompositionCache_html_a459e01b94eb0e78dd95bb6932a967f13" > < div class = "ttname" > < a href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#a459e01b94eb0e78dd95bb6932a967f13" > fourdst::composition::Composition::CompositionCache::canonicalComp< / a > < / div > < div class = "ttdeci" > std::optional< CanonicalComposition > canonicalComp< / div > < div class = "ttdoc" > Cached canonical composition data.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8h_source.html#l00108" > composition.h:108< / a > < / div > < / div >
< div class = "ttc" id = "astructfourdst_1_1composition_1_1Composition_1_1CompositionCache_html_ab74c9cd92ba8aaf5f95c8ca5284206a6" > < div class = "ttname" > < a href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#ab74c9cd92ba8aaf5f95c8ca5284206a6" > fourdst::composition::Composition::CompositionCache::molarAbundances< / a > < / div > < div class = "ttdeci" > std::optional< std::vector< double > > molarAbundances< / div > < div class = "ttdoc" > Cached vector of molar abundances.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8h_source.html#l00111" > composition.h:111< / a > < / div > < / div >
< div class = "ttc" id = "astructfourdst_1_1composition_1_1Composition_1_1CompositionCache_html_add5ce97ae6a1796c5f6488bfa1555be6" > < div class = "ttname" > < a href = "structfourdst_1_1composition_1_1Composition_1_1CompositionCache.html#add5ce97ae6a1796c5f6488bfa1555be6" > fourdst::composition::Composition::CompositionCache::massFractions< / a > < / div > < div class = "ttdeci" > std::optional< std::vector< double > > massFractions< / div > < div class = "ttdoc" > Cached vector of mass fractions.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "composition_8h_source.html#l00109" > composition.h:109< / a > < / div > < / div >
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