2888 lines
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2888 lines
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<div id="projectbrief">Robust atomic species information library</div>
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<a href="#pub-methods">Public Member Functions</a> |
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<a href="#pri-methods">Private Member Functions</a> |
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<div class="headertitle"><div class="title">fourdst::composition::Composition Class Reference</div></div>
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<p>Manages a collection of chemical species and their abundances.
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<a href="#details">More...</a></p>
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<p><code>#include <<a class="el" href="composition_8h_source.html">composition.h</a>></code></p>
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<table class="memberdecls">
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<tr class="heading"><td colspan="2"><h2 class="groupheader"><a id="pub-methods" name="pub-methods"></a>
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Public Member Functions</h2></td></tr>
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<tr class="memitem:a23b83b76ee025f6fc009184ee19bba88" id="r_a23b83b76ee025f6fc009184ee19bba88"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="#a23b83b76ee025f6fc009184ee19bba88">Composition</a> ()=default</td></tr>
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<tr class="memdesc:a23b83b76ee025f6fc009184ee19bba88"><td class="mdescLeft"> </td><td class="mdescRight">Default constructor. <br /></td></tr>
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<tr class="separator:a23b83b76ee025f6fc009184ee19bba88"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:aa3ff8ece122a9fad1252061148566749" id="r_aa3ff8ece122a9fad1252061148566749"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="#aa3ff8ece122a9fad1252061148566749">~Composition</a> ()=default</td></tr>
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<tr class="memdesc:aa3ff8ece122a9fad1252061148566749"><td class="mdescLeft"> </td><td class="mdescRight">Default destructor. <br /></td></tr>
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<tr class="separator:aa3ff8ece122a9fad1252061148566749"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a72d063a74a9d2197065884a2cea57a14" id="r_a72d063a74a9d2197065884a2cea57a14"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#a72d063a74a9d2197065884a2cea57a14">finalize</a> (bool norm=false)</td></tr>
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<tr class="memdesc:a72d063a74a9d2197065884a2cea57a14"><td class="mdescLeft"> </td><td class="mdescRight">Finalizes the composition, making it ready for querying. <br /></td></tr>
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<tr class="separator:a72d063a74a9d2197065884a2cea57a14"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:ae3cc2099efd7db8eec3d9af2294b75fa" id="r_ae3cc2099efd7db8eec3d9af2294b75fa"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="#ae3cc2099efd7db8eec3d9af2294b75fa">Composition</a> (const std::vector< std::string > &symbols)</td></tr>
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<tr class="memdesc:ae3cc2099efd7db8eec3d9af2294b75fa"><td class="mdescLeft"> </td><td class="mdescRight">Constructs a <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a> and registers the given symbols. <br /></td></tr>
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<tr class="separator:ae3cc2099efd7db8eec3d9af2294b75fa"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a2d6fbe5c8142b358641bbe7ffde51053" id="r_a2d6fbe5c8142b358641bbe7ffde51053"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="#a2d6fbe5c8142b358641bbe7ffde51053">Composition</a> (const std::set< std::string > &symbols)</td></tr>
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<tr class="memdesc:a2d6fbe5c8142b358641bbe7ffde51053"><td class="mdescLeft"> </td><td class="mdescRight">Constructs a <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a> and registers the given symbols from a set. <br /></td></tr>
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<tr class="separator:a2d6fbe5c8142b358641bbe7ffde51053"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:af4d4cc5875cba931a91faee13f55594e" id="r_af4d4cc5875cba931a91faee13f55594e"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="#af4d4cc5875cba931a91faee13f55594e">Composition</a> (const std::vector< std::string > &symbols, const std::vector< double > &fractions, bool massFracMode=true)</td></tr>
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<tr class="memdesc:af4d4cc5875cba931a91faee13f55594e"><td class="mdescLeft"> </td><td class="mdescRight">Constructs and finalizes a <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a> with the given symbols and fractions. <br /></td></tr>
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<tr class="separator:af4d4cc5875cba931a91faee13f55594e"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a21369a80378d4c90438a34f0e4a275ca" id="r_a21369a80378d4c90438a34f0e4a275ca"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="#a21369a80378d4c90438a34f0e4a275ca">Composition</a> (const <a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> &composition)</td></tr>
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<tr class="memdesc:a21369a80378d4c90438a34f0e4a275ca"><td class="mdescLeft"> </td><td class="mdescRight">Constructs a <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a> from another <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a>. <br /></td></tr>
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<tr class="separator:a21369a80378d4c90438a34f0e4a275ca"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a4ec1e23cfecef764cb831171fed62fc2" id="r_a4ec1e23cfecef764cb831171fed62fc2"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> & </td><td class="memItemRight" valign="bottom"><a class="el" href="#a4ec1e23cfecef764cb831171fed62fc2">operator=</a> (<a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> const &other)</td></tr>
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<tr class="memdesc:a4ec1e23cfecef764cb831171fed62fc2"><td class="mdescLeft"> </td><td class="mdescRight">Assignment operator. <br /></td></tr>
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<tr class="separator:a4ec1e23cfecef764cb831171fed62fc2"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a1bc2e64f87c12befdc2bc767e7405661" id="r_a1bc2e64f87c12befdc2bc767e7405661"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="#a1bc2e64f87c12befdc2bc767e7405661">registerSymbol</a> (const std::string &symbol, bool massFracMode=true)</td></tr>
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<tr class="memdesc:a1bc2e64f87c12befdc2bc767e7405661"><td class="mdescLeft"> </td><td class="mdescRight">Registers a new symbol for inclusion in the composition. <br /></td></tr>
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<tr class="separator:a1bc2e64f87c12befdc2bc767e7405661"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a9b422156600823276a9606bfa07ad4db" id="r_a9b422156600823276a9606bfa07ad4db"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="#a9b422156600823276a9606bfa07ad4db">registerSymbol</a> (const std::vector< std::string > &symbols, bool massFracMode=true)</td></tr>
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<tr class="memdesc:a9b422156600823276a9606bfa07ad4db"><td class="mdescLeft"> </td><td class="mdescRight">Registers multiple new symbols. <br /></td></tr>
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<tr class="separator:a9b422156600823276a9606bfa07ad4db"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a4ce00f73cc133bb1bac2b030b93ab480" id="r_a4ce00f73cc133bb1bac2b030b93ab480"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="#a4ce00f73cc133bb1bac2b030b93ab480">registerSpecies</a> (const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> &species, bool massFracMode=true)</td></tr>
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<tr class="memdesc:a4ce00f73cc133bb1bac2b030b93ab480"><td class="mdescLeft"> </td><td class="mdescRight">Registers a new species by extracting its symbol. <br /></td></tr>
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<tr class="separator:a4ce00f73cc133bb1bac2b030b93ab480"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a057f2bf2e86bcc3c649c0ddf18cf3826" id="r_a057f2bf2e86bcc3c649c0ddf18cf3826"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="#a057f2bf2e86bcc3c649c0ddf18cf3826">registerSpecies</a> (const std::vector< <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> > &species, bool massFracMode=true)</td></tr>
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<tr class="memdesc:a057f2bf2e86bcc3c649c0ddf18cf3826"><td class="mdescLeft"> </td><td class="mdescRight">Registers a vector of new species. <br /></td></tr>
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<tr class="separator:a057f2bf2e86bcc3c649c0ddf18cf3826"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a84c7b72c2aee46b94492d404855dd3e0" id="r_a84c7b72c2aee46b94492d404855dd3e0"><td class="memItemLeft" align="right" valign="top">std::set< std::string > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a84c7b72c2aee46b94492d404855dd3e0">getRegisteredSymbols</a> () const</td></tr>
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<tr class="memdesc:a84c7b72c2aee46b94492d404855dd3e0"><td class="mdescLeft"> </td><td class="mdescRight">Gets the registered symbols. <br /></td></tr>
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<tr class="separator:a84c7b72c2aee46b94492d404855dd3e0"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a3dee7b5e1f54920de9eab99f95a516ec" id="r_a3dee7b5e1f54920de9eab99f95a516ec"><td class="memItemLeft" align="right" valign="top">std::set< <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a3dee7b5e1f54920de9eab99f95a516ec">getRegisteredSpecies</a> () const</td></tr>
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<tr class="memdesc:a3dee7b5e1f54920de9eab99f95a516ec"><td class="mdescLeft"> </td><td class="mdescRight">Get a set of all species that are registered in the composition. <br /></td></tr>
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<tr class="separator:a3dee7b5e1f54920de9eab99f95a516ec"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a493224656aa3ade68389250720ef09af" id="r_a493224656aa3ade68389250720ef09af"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#a493224656aa3ade68389250720ef09af">setMassFraction</a> (const std::string &symbol, const double &mass_fraction)</td></tr>
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<tr class="memdesc:a493224656aa3ade68389250720ef09af"><td class="mdescLeft"> </td><td class="mdescRight">Sets the mass fraction for a given symbol. <br /></td></tr>
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<tr class="separator:a493224656aa3ade68389250720ef09af"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a66ce1012c12b0a83629eb09d451b68e3" id="r_a66ce1012c12b0a83629eb09d451b68e3"><td class="memItemLeft" align="right" valign="top">std::vector< double > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a66ce1012c12b0a83629eb09d451b68e3">setMassFraction</a> (const std::vector< std::string > &symbols, const std::vector< double > &mass_fractions)</td></tr>
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<tr class="memdesc:a66ce1012c12b0a83629eb09d451b68e3"><td class="mdescLeft"> </td><td class="mdescRight">Sets the mass fraction for multiple symbols. <br /></td></tr>
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<tr class="separator:a66ce1012c12b0a83629eb09d451b68e3"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:aa6c94269a5d16349c98860f3015b734a" id="r_aa6c94269a5d16349c98860f3015b734a"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#aa6c94269a5d16349c98860f3015b734a">setMassFraction</a> (const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> &species, const double &mass_fraction)</td></tr>
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<tr class="memdesc:aa6c94269a5d16349c98860f3015b734a"><td class="mdescLeft"> </td><td class="mdescRight">Sets the mass fraction for a given species. <br /></td></tr>
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<tr class="separator:aa6c94269a5d16349c98860f3015b734a"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:abbae020d46c74708a7974c1ca755bb62" id="r_abbae020d46c74708a7974c1ca755bb62"><td class="memItemLeft" align="right" valign="top">std::vector< double > </td><td class="memItemRight" valign="bottom"><a class="el" href="#abbae020d46c74708a7974c1ca755bb62">setMassFraction</a> (const std::vector< <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> > &species, const std::vector< double > &mass_fractions)</td></tr>
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<tr class="memdesc:abbae020d46c74708a7974c1ca755bb62"><td class="mdescLeft"> </td><td class="mdescRight">Sets the mass fraction for multiple species. <br /></td></tr>
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<tr class="separator:abbae020d46c74708a7974c1ca755bb62"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a7d4d748f3ee25e68751fb143717ed080" id="r_a7d4d748f3ee25e68751fb143717ed080"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#a7d4d748f3ee25e68751fb143717ed080">setNumberFraction</a> (const std::string &symbol, const double &number_fraction)</td></tr>
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<tr class="memdesc:a7d4d748f3ee25e68751fb143717ed080"><td class="mdescLeft"> </td><td class="mdescRight">Sets the number fraction for a given symbol. <br /></td></tr>
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<tr class="separator:a7d4d748f3ee25e68751fb143717ed080"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a48014a0a725ebd91ad1193c063b5b26f" id="r_a48014a0a725ebd91ad1193c063b5b26f"><td class="memItemLeft" align="right" valign="top">std::vector< double > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a48014a0a725ebd91ad1193c063b5b26f">setNumberFraction</a> (const std::vector< std::string > &symbols, const std::vector< double > &number_fractions)</td></tr>
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<tr class="memdesc:a48014a0a725ebd91ad1193c063b5b26f"><td class="mdescLeft"> </td><td class="mdescRight">Sets the number fraction for multiple symbols. <br /></td></tr>
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<tr class="memitem:aaa822bb48a948d101fef759ffbefe31b" id="r_aaa822bb48a948d101fef759ffbefe31b"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#aaa822bb48a948d101fef759ffbefe31b">setNumberFraction</a> (const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> &species, const double &number_fraction)</td></tr>
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<tr class="memdesc:aaa822bb48a948d101fef759ffbefe31b"><td class="mdescLeft"> </td><td class="mdescRight">Sets the number fraction for a given species. <br /></td></tr>
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<tr class="memitem:adc068778a1ef33cad67f5ca028b49bb8" id="r_adc068778a1ef33cad67f5ca028b49bb8"><td class="memItemLeft" align="right" valign="top">std::vector< double > </td><td class="memItemRight" valign="bottom"><a class="el" href="#adc068778a1ef33cad67f5ca028b49bb8">setNumberFraction</a> (const std::vector< <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> > &species, const std::vector< double > &number_fractions)</td></tr>
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<tr class="memdesc:adc068778a1ef33cad67f5ca028b49bb8"><td class="mdescLeft"> </td><td class="mdescRight">Sets the number fraction for multiple species. <br /></td></tr>
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<tr class="memitem:a3aead72892606725a4149a5f65bd31ec" id="r_a3aead72892606725a4149a5f65bd31ec"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="#a3aead72892606725a4149a5f65bd31ec">mix</a> (const <a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> &other, double fraction) const</td></tr>
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<tr class="memdesc:a3aead72892606725a4149a5f65bd31ec"><td class="mdescLeft"> </td><td class="mdescRight">Mixes this composition with another to produce a new composition. <br /></td></tr>
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<tr class="memitem:ad20bd541dd7c45274a2e586e6a0519a7" id="r_ad20bd541dd7c45274a2e586e6a0519a7"><td class="memItemLeft" align="right" valign="top">std::unordered_map< std::string, double > </td><td class="memItemRight" valign="bottom"><a class="el" href="#ad20bd541dd7c45274a2e586e6a0519a7">getMassFraction</a> () const</td></tr>
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<tr class="memdesc:ad20bd541dd7c45274a2e586e6a0519a7"><td class="mdescLeft"> </td><td class="mdescRight">Gets the mass fractions of all species in the composition. <br /></td></tr>
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<tr class="memitem:a7f6a6edf02b55eeecf147c3f1f7f55e7" id="r_a7f6a6edf02b55eeecf147c3f1f7f55e7"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#a7f6a6edf02b55eeecf147c3f1f7f55e7">getMassFraction</a> (const std::string &symbol) const</td></tr>
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<tr class="memdesc:a7f6a6edf02b55eeecf147c3f1f7f55e7"><td class="mdescLeft"> </td><td class="mdescRight">Gets the mass fraction for a given symbol. <br /></td></tr>
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<tr class="memitem:aa3ba0c742872384cff3ed03789c0a17d" id="r_aa3ba0c742872384cff3ed03789c0a17d"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#aa3ba0c742872384cff3ed03789c0a17d">getMassFraction</a> (const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> &species) const</td></tr>
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<tr class="memdesc:aa3ba0c742872384cff3ed03789c0a17d"><td class="mdescLeft"> </td><td class="mdescRight">Gets the mass fraction for a given isotope. <br /></td></tr>
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<tr class="memitem:a84fea38bc1c005e483910285f6800e15" id="r_a84fea38bc1c005e483910285f6800e15"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#a84fea38bc1c005e483910285f6800e15">getNumberFraction</a> (const std::string &symbol) const</td></tr>
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<tr class="memdesc:a84fea38bc1c005e483910285f6800e15"><td class="mdescLeft"> </td><td class="mdescRight">Gets the number fraction for a given symbol. <br /></td></tr>
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<tr class="memitem:aa0ce4143a267e96ab7967538c76acdc3" id="r_aa0ce4143a267e96ab7967538c76acdc3"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#aa0ce4143a267e96ab7967538c76acdc3">getNumberFraction</a> (const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> &species) const</td></tr>
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<tr class="memdesc:aa0ce4143a267e96ab7967538c76acdc3"><td class="mdescLeft"> </td><td class="mdescRight">Gets the number fraction for a given isotope. <br /></td></tr>
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<tr class="memitem:a7731df9b30f8c8f13231f7e1a17b105c" id="r_a7731df9b30f8c8f13231f7e1a17b105c"><td class="memItemLeft" align="right" valign="top">std::unordered_map< std::string, double > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a7731df9b30f8c8f13231f7e1a17b105c">getNumberFraction</a> () const</td></tr>
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<tr class="memdesc:a7731df9b30f8c8f13231f7e1a17b105c"><td class="mdescLeft"> </td><td class="mdescRight">Gets the number fractions of all species in the composition. <br /></td></tr>
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<tr class="memitem:a67a2ed844f3aee3d9cc1a3cb996eb56f" id="r_a67a2ed844f3aee3d9cc1a3cb996eb56f"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#a67a2ed844f3aee3d9cc1a3cb996eb56f">getMolarAbundance</a> (const std::string &symbol) const</td></tr>
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<tr class="memdesc:a67a2ed844f3aee3d9cc1a3cb996eb56f"><td class="mdescLeft"> </td><td class="mdescRight">Gets the molar abundance (X_i / A_i) for a given symbol. <br /></td></tr>
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<tr class="memitem:a84d6552e2b762fabb7bddf68b05c4022" id="r_a84d6552e2b762fabb7bddf68b05c4022"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#a84d6552e2b762fabb7bddf68b05c4022">getMolarAbundance</a> (const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> &species) const</td></tr>
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<tr class="memdesc:a84d6552e2b762fabb7bddf68b05c4022"><td class="mdescLeft"> </td><td class="mdescRight">Gets the molar abundance for a given isotope. <br /></td></tr>
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<tr class="memitem:a092d3536b04167ea2e6e3a3b1446c377" id="r_a092d3536b04167ea2e6e3a3b1446c377"><td class="memItemLeft" align="right" valign="top">std::pair< <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html">CompositionEntry</a>, <a class="el" href="structfourdst_1_1composition_1_1_global_composition.html">GlobalComposition</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a092d3536b04167ea2e6e3a3b1446c377">getComposition</a> (const std::string &symbol) const</td></tr>
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<tr class="memdesc:a092d3536b04167ea2e6e3a3b1446c377"><td class="mdescLeft"> </td><td class="mdescRight">Gets the composition entry and global composition data for a given symbol. <br /></td></tr>
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<tr class="memitem:afe5f1086027044c84ff35a366b2e8e2d" id="r_afe5f1086027044c84ff35a366b2e8e2d"><td class="memItemLeft" align="right" valign="top">std::pair< <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html">CompositionEntry</a>, <a class="el" href="structfourdst_1_1composition_1_1_global_composition.html">GlobalComposition</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="#afe5f1086027044c84ff35a366b2e8e2d">getComposition</a> (const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> &species) const</td></tr>
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<tr class="memdesc:afe5f1086027044c84ff35a366b2e8e2d"><td class="mdescLeft"> </td><td class="mdescRight">Gets the composition entry and global composition data for a given species. <br /></td></tr>
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<tr class="memitem:a1138c86f7ccd39594601c2ec63ad89e9" id="r_a1138c86f7ccd39594601c2ec63ad89e9"><td class="memItemLeft" align="right" valign="top">std::pair< std::unordered_map< std::string, <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html">CompositionEntry</a> >, <a class="el" href="structfourdst_1_1composition_1_1_global_composition.html">GlobalComposition</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a1138c86f7ccd39594601c2ec63ad89e9">getComposition</a> () const</td></tr>
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<tr class="memdesc:a1138c86f7ccd39594601c2ec63ad89e9"><td class="mdescLeft"> </td><td class="mdescRight">Gets all composition entries and the global composition data. <br /></td></tr>
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<tr class="memitem:a66401fed7054172e9b1a2687e5cc8eff" id="r_a66401fed7054172e9b1a2687e5cc8eff"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#a66401fed7054172e9b1a2687e5cc8eff">getMeanParticleMass</a> () const</td></tr>
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<tr class="memdesc:a66401fed7054172e9b1a2687e5cc8eff"><td class="mdescLeft"> </td><td class="mdescRight">Compute the mean particle mass of the composition. <br /></td></tr>
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<tr class="memitem:a98199f435cb553f5cf4f8e520fdb8a7a" id="r_a98199f435cb553f5cf4f8e520fdb8a7a"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#a98199f435cb553f5cf4f8e520fdb8a7a">getMeanAtomicNumber</a> () const</td></tr>
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<tr class="memdesc:a98199f435cb553f5cf4f8e520fdb8a7a"><td class="mdescLeft"> </td><td class="mdescRight">Compute the mean atomic number of the composition. <br /></td></tr>
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<tr class="memitem:a17635cd21744c7cf86cb1eb75152c816" id="r_a17635cd21744c7cf86cb1eb75152c816"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="#a17635cd21744c7cf86cb1eb75152c816">subset</a> (const std::vector< std::string > &symbols, const std::string &method="norm") const</td></tr>
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<tr class="memdesc:a17635cd21744c7cf86cb1eb75152c816"><td class="mdescLeft"> </td><td class="mdescRight">Creates a new <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a> object containing a subset of species from this one. <br /></td></tr>
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<tr class="memitem:a72a368f27094b03fdd9896844e075c94" id="r_a72a368f27094b03fdd9896844e075c94"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#a72a368f27094b03fdd9896844e075c94">hasSymbol</a> (const std::string &symbol) const</td></tr>
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<tr class="memdesc:a72a368f27094b03fdd9896844e075c94"><td class="mdescLeft"> </td><td class="mdescRight">Checks if a symbol is registered in the composition. <br /></td></tr>
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<tr class="memitem:acb08478f7032ecc13cb02283a18187e9" id="r_acb08478f7032ecc13cb02283a18187e9"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#acb08478f7032ecc13cb02283a18187e9">contains</a> (const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> &isotope) const</td></tr>
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<tr class="memdesc:acb08478f7032ecc13cb02283a18187e9"><td class="mdescLeft"> </td><td class="mdescRight">Checks if a given isotope is present in the composition. <br /></td></tr>
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<tr class="memitem:a0af981ed1074b26c237cf6cf35f82c9e" id="r_a0af981ed1074b26c237cf6cf35f82c9e"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="#a0af981ed1074b26c237cf6cf35f82c9e">setCompositionMode</a> (bool massFracMode)</td></tr>
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<tr class="memdesc:a0af981ed1074b26c237cf6cf35f82c9e"><td class="mdescLeft"> </td><td class="mdescRight">Sets the composition mode (mass fraction vs. number fraction). <br /></td></tr>
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<tr class="memitem:ac75dbc8377556c835455991c7c7fe206" id="r_ac75dbc8377556c835455991c7c7fe206"><td class="memItemLeft" align="right" valign="top"><a class="el" href="structfourdst_1_1composition_1_1_canonical_composition.html">CanonicalComposition</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="#ac75dbc8377556c835455991c7c7fe206">getCanonicalComposition</a> (bool harsh=false) const</td></tr>
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<tr class="memdesc:ac75dbc8377556c835455991c7c7fe206"><td class="mdescLeft"> </td><td class="mdescRight">Gets the current canonical composition (X, Y, Z). <br /></td></tr>
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<tr class="memitem:acdbdf980297580e885ce3f124164315f" id="r_acdbdf980297580e885ce3f124164315f"><td class="memItemLeft" align="right" valign="top">std::vector< double > </td><td class="memItemRight" valign="bottom"><a class="el" href="#acdbdf980297580e885ce3f124164315f">getMassFractionVector</a> () const</td></tr>
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<tr class="memdesc:acdbdf980297580e885ce3f124164315f"><td class="mdescLeft"> </td><td class="mdescRight">Get a uniform vector representation of the mass fraction stored in the composition object sorted such that the lightest species is at index 0 and the heaviest is at the last index. <br /></td></tr>
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<tr class="memitem:a2a41242de5d49b005e0b608e79e2f2d9" id="r_a2a41242de5d49b005e0b608e79e2f2d9"><td class="memItemLeft" align="right" valign="top">std::vector< double > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a2a41242de5d49b005e0b608e79e2f2d9">getNumberFractionVector</a> () const</td></tr>
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<tr class="memdesc:a2a41242de5d49b005e0b608e79e2f2d9"><td class="mdescLeft"> </td><td class="mdescRight">Get a uniform vector representation of the number fractions stored in the composition object sorted such that the lightest species is at index 0 and the heaviest is at the last index. <br /></td></tr>
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<tr class="memitem:a84d62b971bee83d944d2792c6850bc0b" id="r_a84d62b971bee83d944d2792c6850bc0b"><td class="memItemLeft" align="right" valign="top">std::vector< double > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a84d62b971bee83d944d2792c6850bc0b">getMolarAbundanceVector</a> () const</td></tr>
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<tr class="memdesc:a84d62b971bee83d944d2792c6850bc0b"><td class="mdescLeft"> </td><td class="mdescRight">Get a uniform vector representation of the molar abundances stored in the composition object sorted such that the lightest species is at index 0 and the heaviest is at the last index. <br /></td></tr>
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<tr class="memitem:a1204a6421205feaaed13937aefa158ba" id="r_a1204a6421205feaaed13937aefa158ba"><td class="memItemLeft" align="right" valign="top">size_t </td><td class="memItemRight" valign="bottom"><a class="el" href="#a1204a6421205feaaed13937aefa158ba">getSpeciesIndex</a> (const std::string &symbol) const</td></tr>
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<tr class="memdesc:a1204a6421205feaaed13937aefa158ba"><td class="mdescLeft"> </td><td class="mdescRight">get the index in the sorted vector representation for a given symbol <br /></td></tr>
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<tr class="memitem:ad49012cd6d78558d80198cc06ec164b1" id="r_ad49012cd6d78558d80198cc06ec164b1"><td class="memItemLeft" align="right" valign="top">size_t </td><td class="memItemRight" valign="bottom"><a class="el" href="#ad49012cd6d78558d80198cc06ec164b1">getSpeciesIndex</a> (const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">atomic::Species</a> &species) const</td></tr>
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<tr class="memdesc:ad49012cd6d78558d80198cc06ec164b1"><td class="mdescLeft"> </td><td class="mdescRight">get the index in the sorted vector representation for a given symbol <br /></td></tr>
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<tr class="memitem:aa534a01f24074cc9edd7f41df228eb50" id="r_aa534a01f24074cc9edd7f41df228eb50"><td class="memItemLeft" align="right" valign="top"><a class="el" href="structfourdst_1_1atomic_1_1_species.html">atomic::Species</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="#aa534a01f24074cc9edd7f41df228eb50">getSpeciesAtIndex</a> (size_t index) const</td></tr>
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<tr class="memdesc:aa534a01f24074cc9edd7f41df228eb50"><td class="mdescLeft"> </td><td class="mdescRight">Get the species at a given index in the sorted vector representation. <br /></td></tr>
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<tr class="memitem:a24a3bdeb8e8e55b54ecdee6dcb0d9561" id="r_a24a3bdeb8e8e55b54ecdee6dcb0d9561"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="#a24a3bdeb8e8e55b54ecdee6dcb0d9561">operator+</a> (const <a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> &other) const</td></tr>
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<tr class="memdesc:a24a3bdeb8e8e55b54ecdee6dcb0d9561"><td class="mdescLeft"> </td><td class="mdescRight">Overloads the + operator to mix two compositions with a 50/50 fraction. <br /></td></tr>
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<tr class="separator:a24a3bdeb8e8e55b54ecdee6dcb0d9561"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:ab1701644ff1c83c220dc04eb58d1621b" id="r_ab1701644ff1c83c220dc04eb58d1621b"><td class="memItemLeft" align="right" valign="top">auto </td><td class="memItemRight" valign="bottom"><a class="el" href="#ab1701644ff1c83c220dc04eb58d1621b">begin</a> ()</td></tr>
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<tr class="memdesc:ab1701644ff1c83c220dc04eb58d1621b"><td class="mdescLeft"> </td><td class="mdescRight">Returns an iterator to the beginning of the composition map. <br /></td></tr>
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<tr class="separator:ab1701644ff1c83c220dc04eb58d1621b"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:adf41a833e8b704daf4f581fca5c8cb9b" id="r_adf41a833e8b704daf4f581fca5c8cb9b"><td class="memItemLeft" align="right" valign="top">auto </td><td class="memItemRight" valign="bottom"><a class="el" href="#adf41a833e8b704daf4f581fca5c8cb9b">begin</a> () const</td></tr>
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<tr class="memdesc:adf41a833e8b704daf4f581fca5c8cb9b"><td class="mdescLeft"> </td><td class="mdescRight">Returns a const iterator to the beginning of the composition map. <br /></td></tr>
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<tr class="memitem:adeaf6f1213e78cb1fe8a8317f0a8adc2" id="r_adeaf6f1213e78cb1fe8a8317f0a8adc2"><td class="memItemLeft" align="right" valign="top">auto </td><td class="memItemRight" valign="bottom"><a class="el" href="#adeaf6f1213e78cb1fe8a8317f0a8adc2">end</a> ()</td></tr>
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<tr class="memdesc:adeaf6f1213e78cb1fe8a8317f0a8adc2"><td class="mdescLeft"> </td><td class="mdescRight">Returns an iterator to the end of the composition map. <br /></td></tr>
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<tr class="separator:adeaf6f1213e78cb1fe8a8317f0a8adc2"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:aed2f5676f8f742199f01e4d1e9664bdd" id="r_aed2f5676f8f742199f01e4d1e9664bdd"><td class="memItemLeft" align="right" valign="top">auto </td><td class="memItemRight" valign="bottom"><a class="el" href="#aed2f5676f8f742199f01e4d1e9664bdd">end</a> () const</td></tr>
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<tr class="memdesc:aed2f5676f8f742199f01e4d1e9664bdd"><td class="mdescLeft"> </td><td class="mdescRight">Returns a const iterator to the end of the composition map. <br /></td></tr>
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<tr class="separator:aed2f5676f8f742199f01e4d1e9664bdd"><td class="memSeparator" colspan="2"> </td></tr>
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</table><table class="memberdecls">
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<tr class="heading"><td colspan="2"><h2 class="groupheader"><a id="pri-methods" name="pri-methods"></a>
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Private Member Functions</h2></td></tr>
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<tr class="memitem:addf03ba8b988970d341884d487aa94d5" id="r_addf03ba8b988970d341884d487aa94d5"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#addf03ba8b988970d341884d487aa94d5">isValidComposition</a> (const std::vector< double > &fractions) const</td></tr>
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<tr class="memdesc:addf03ba8b988970d341884d487aa94d5"><td class="mdescLeft"> </td><td class="mdescRight">Checks if the given fractions are valid (sum to ~1.0). <br /></td></tr>
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<tr class="memitem:a86982685c34db4a8f079ddafc25c594e" id="r_a86982685c34db4a8f079ddafc25c594e"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="#a86982685c34db4a8f079ddafc25c594e">validateComposition</a> (const std::vector< double > &fractions) const</td></tr>
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<tr class="memdesc:a86982685c34db4a8f079ddafc25c594e"><td class="mdescLeft"> </td><td class="mdescRight">Validates the given fractions, throwing an exception on failure. <br /></td></tr>
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<tr class="separator:a86982685c34db4a8f079ddafc25c594e"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a869dbae3db9d09c57b2df56a813a55fb" id="r_a869dbae3db9d09c57b2df56a813a55fb"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#a869dbae3db9d09c57b2df56a813a55fb">finalizeMassFracMode</a> (bool norm)</td></tr>
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<tr class="memdesc:a869dbae3db9d09c57b2df56a813a55fb"><td class="mdescLeft"> </td><td class="mdescRight">Finalizes the composition in mass fraction mode. <br /></td></tr>
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<tr class="separator:a869dbae3db9d09c57b2df56a813a55fb"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a461ab4e9cb5975cf865db5f16f03ddfe" id="r_a461ab4e9cb5975cf865db5f16f03ddfe"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#a461ab4e9cb5975cf865db5f16f03ddfe">finalizeNumberFracMode</a> (bool norm)</td></tr>
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<tr class="memdesc:a461ab4e9cb5975cf865db5f16f03ddfe"><td class="mdescLeft"> </td><td class="mdescRight">Finalizes the composition in number fraction mode. <br /></td></tr>
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<tr class="separator:a461ab4e9cb5975cf865db5f16f03ddfe"><td class="memSeparator" colspan="2"> </td></tr>
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</table><table class="memberdecls">
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<tr class="heading"><td colspan="2"><h2 class="groupheader"><a id="pri-static-methods" name="pri-static-methods"></a>
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Static Private Member Functions</h2></td></tr>
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<tr class="memitem:a8fdac26e6298008aaeaa5b15f7fe244f" id="r_a8fdac26e6298008aaeaa5b15f7fe244f"><td class="memItemLeft" align="right" valign="top">static bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#a8fdac26e6298008aaeaa5b15f7fe244f">isValidSymbol</a> (const std::string &symbol)</td></tr>
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<tr class="memdesc:a8fdac26e6298008aaeaa5b15f7fe244f"><td class="mdescLeft"> </td><td class="mdescRight">Checks if the given symbol is valid by checking against the global species database. <br /></td></tr>
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<tr class="separator:a8fdac26e6298008aaeaa5b15f7fe244f"><td class="memSeparator" colspan="2"> </td></tr>
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</table><table class="memberdecls">
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<tr class="heading"><td colspan="2"><h2 class="groupheader"><a id="pri-attribs" name="pri-attribs"></a>
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Private Attributes</h2></td></tr>
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<tr class="memitem:a8a8096863464338bc6e3c5124407dca4" id="r_a8a8096863464338bc6e3c5124407dca4"><td class="memItemLeft" align="right" valign="top">fourdst::config::Config & </td><td class="memItemRight" valign="bottom"><a class="el" href="#a8a8096863464338bc6e3c5124407dca4">m_config</a> = fourdst::config::Config::getInstance()</td></tr>
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<tr class="memitem:a695d37ec6cde63d86a20df1e9f26af19" id="r_a695d37ec6cde63d86a20df1e9f26af19"><td class="memItemLeft" align="right" valign="top">fourdst::logging::LogManager & </td><td class="memItemRight" valign="bottom"><a class="el" href="#a695d37ec6cde63d86a20df1e9f26af19">m_logManager</a> = fourdst::logging::LogManager::getInstance()</td></tr>
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<tr class="separator:a695d37ec6cde63d86a20df1e9f26af19"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:ab6c66f35e1fb05dd24aacaf90e115c5e" id="r_ab6c66f35e1fb05dd24aacaf90e115c5e"><td class="memItemLeft" align="right" valign="top">quill::Logger * </td><td class="memItemRight" valign="bottom"><a class="el" href="#ab6c66f35e1fb05dd24aacaf90e115c5e">m_logger</a> = m_logManager.getLogger("log")</td></tr>
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<tr class="separator:ab6c66f35e1fb05dd24aacaf90e115c5e"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:aa00cbc0933d8a22bb900ac21a338e5ac" id="r_aa00cbc0933d8a22bb900ac21a338e5ac"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#aa00cbc0933d8a22bb900ac21a338e5ac">m_finalized</a> = false</td></tr>
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<tr class="memdesc:aa00cbc0933d8a22bb900ac21a338e5ac"><td class="mdescLeft"> </td><td class="mdescRight">True if the composition is finalized. <br /></td></tr>
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<tr class="separator:aa00cbc0933d8a22bb900ac21a338e5ac"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:addae4484da7d5072ab66a721dbe04ced" id="r_addae4484da7d5072ab66a721dbe04ced"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#addae4484da7d5072ab66a721dbe04ced">m_specificNumberDensity</a> = 0.0</td></tr>
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<tr class="memdesc:addae4484da7d5072ab66a721dbe04ced"><td class="mdescLeft"> </td><td class="mdescRight">The specific number density of the composition (\sum_{i} X_i m_i. Where X_i is the number fraction of the ith species and m_i is the mass of the ith species). <br /></td></tr>
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<tr class="separator:addae4484da7d5072ab66a721dbe04ced"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a4a36c8d22ce61023e7bea1d9417577d4" id="r_a4a36c8d22ce61023e7bea1d9417577d4"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#a4a36c8d22ce61023e7bea1d9417577d4">m_meanParticleMass</a> = 0.0</td></tr>
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<tr class="memdesc:a4a36c8d22ce61023e7bea1d9417577d4"><td class="mdescLeft"> </td><td class="mdescRight">The mean particle mass of the composition (\sum_{i} \frac{n_i}{m_i}. where n_i is the number fraction of the ith species and m_i is the mass of the ith species). <br /></td></tr>
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<tr class="separator:a4a36c8d22ce61023e7bea1d9417577d4"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a671f1ee8be00f4ff8c1d94fabb382380" id="r_a671f1ee8be00f4ff8c1d94fabb382380"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#a671f1ee8be00f4ff8c1d94fabb382380">m_massFracMode</a> = true</td></tr>
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<tr class="memdesc:a671f1ee8be00f4ff8c1d94fabb382380"><td class="mdescLeft"> </td><td class="mdescRight">True if mass fraction mode, false if number fraction mode. <br /></td></tr>
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<tr class="separator:a671f1ee8be00f4ff8c1d94fabb382380"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a39bfcb7d81d723cbd9d021abd533b4d6" id="r_a39bfcb7d81d723cbd9d021abd533b4d6"><td class="memItemLeft" align="right" valign="top">std::set< std::string > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a39bfcb7d81d723cbd9d021abd533b4d6">m_registeredSymbols</a></td></tr>
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<tr class="memdesc:a39bfcb7d81d723cbd9d021abd533b4d6"><td class="mdescLeft"> </td><td class="mdescRight">The registered symbols. <br /></td></tr>
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<tr class="separator:a39bfcb7d81d723cbd9d021abd533b4d6"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:aa7f2753b10e85ae3bbf0c3d600a973db" id="r_aa7f2753b10e85ae3bbf0c3d600a973db"><td class="memItemLeft" align="right" valign="top">std::unordered_map< std::string, <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html">CompositionEntry</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="#aa7f2753b10e85ae3bbf0c3d600a973db">m_compositions</a></td></tr>
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<tr class="memdesc:aa7f2753b10e85ae3bbf0c3d600a973db"><td class="mdescLeft"> </td><td class="mdescRight">The compositions. <br /></td></tr>
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<tr class="separator:aa7f2753b10e85ae3bbf0c3d600a973db"><td class="memSeparator" colspan="2"> </td></tr>
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</table><table class="memberdecls">
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<tr class="heading"><td colspan="2"><h2 class="groupheader"><a id="friends" name="friends"></a>
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Friends</h2></td></tr>
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<tr class="memitem:a36c2525d21cd932065bb2bb30bc57fb4" id="r_a36c2525d21cd932065bb2bb30bc57fb4"><td class="memItemLeft" align="right" valign="top">std::ostream & </td><td class="memItemRight" valign="bottom"><a class="el" href="#a36c2525d21cd932065bb2bb30bc57fb4">operator<<</a> (std::ostream &os, const <a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> &composition)</td></tr>
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<tr class="memdesc:a36c2525d21cd932065bb2bb30bc57fb4"><td class="mdescLeft"> </td><td class="mdescRight">Overloaded output stream operator for <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a>. <br /></td></tr>
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<tr class="separator:a36c2525d21cd932065bb2bb30bc57fb4"><td class="memSeparator" colspan="2"> </td></tr>
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</table>
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<a name="details" id="details"></a><h2 class="groupheader">Detailed Description</h2>
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<div class="textblock"><p>Manages a collection of chemical species and their abundances. </p>
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<p>This class is a primary interface for defining and manipulating material compositions. It can operate in two modes: mass fraction or number fraction.</p>
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<p><b>Key Rules and Workflow:</b></p><ol type="1">
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<li><b>Registration:</b> Before setting an abundance for a species, its symbol (e.g., "He-4") must be registered using <code><a class="el" href="#a1bc2e64f87c12befdc2bc767e7405661" title="Registers a new symbol for inclusion in the composition.">registerSymbol()</a></code> or <code><a class="el" href="#a4ce00f73cc133bb1bac2b030b93ab480" title="Registers a new species by extracting its symbol.">registerSpecies()</a></code>. All registered species must conform to the same abundance mode (mass or number fraction).</li>
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<li><b>Setting Abundances:</b> Use <code><a class="el" href="#a493224656aa3ade68389250720ef09af" title="Sets the mass fraction for a given symbol.">setMassFraction()</a></code> or <code><a class="el" href="#a7d4d748f3ee25e68751fb143717ed080" title="Sets the number fraction for a given symbol.">setNumberFraction()</a></code> to define the composition.</li>
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<li><b>Finalization:</b> Before querying any compositional data (e.g., <code><a class="el" href="#ad20bd541dd7c45274a2e586e6a0519a7" title="Gets the mass fractions of all species in the composition.">getMassFraction()</a></code>, <code><a class="el" href="#a66401fed7054172e9b1a2687e5cc8eff" title="Compute the mean particle mass of the composition.">getMeanParticleMass()</a></code>), the composition must be <b>finalized</b> by calling <code><a class="el" href="#a72d063a74a9d2197065884a2cea57a14" title="Finalizes the composition, making it ready for querying.">finalize()</a></code>. This step validates the composition (abundances sum to ~1.0) and computes global properties.</li>
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<li><b>Modification:</b> Any modification to abundances after finalization will un-finalize the composition, requiring another call to <code><a class="el" href="#a72d063a74a9d2197065884a2cea57a14" title="Finalizes the composition, making it ready for querying.">finalize()</a></code> before data can be retrieved again.</li>
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<li><b>Construction:</b> A pre-finalized composition can be created by providing symbols and valid, normalized abundances to the constructor.</li>
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</ol>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<table class="exception">
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<tr><td class="paramname">This</td><td>class throws various exceptions from <code><a class="el" href="namespacefourdst_1_1composition_1_1exceptions.html">fourdst::composition::exceptions</a></code> for invalid operations, such as using unregistered symbols, providing invalid abundances, or accessing data from a non-finalized composition.</td></tr>
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</table>
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</dd>
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</dl>
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<dl class="section user"><dt>Mass Fraction Example:</dt><dd><div class="fragment"><div class="line"><a class="code hl_function" href="#a23b83b76ee025f6fc009184ee19bba88">Composition</a> comp;</div>
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<div class="line">comp.<a class="code hl_function" href="#a1bc2e64f87c12befdc2bc767e7405661">registerSymbol</a>(<span class="stringliteral">"H-1"</span>);</div>
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<div class="line">comp.<a class="code hl_function" href="#a1bc2e64f87c12befdc2bc767e7405661">registerSymbol</a>(<span class="stringliteral">"He-4"</span>);</div>
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<div class="line">comp.<a class="code hl_function" href="#a493224656aa3ade68389250720ef09af">setMassFraction</a>(<span class="stringliteral">"H-1"</span>, 0.75);</div>
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<div class="line">comp.<a class="code hl_function" href="#a493224656aa3ade68389250720ef09af">setMassFraction</a>(<span class="stringliteral">"He-4"</span>, 0.25);</div>
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<div class="line"><span class="keywordflow">if</span> (comp.<a class="code hl_function" href="#a72d063a74a9d2197065884a2cea57a14">finalize</a>()) {</div>
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<div class="line"> <span class="keywordtype">double</span> he_mass_frac = comp.<a class="code hl_function" href="#ad20bd541dd7c45274a2e586e6a0519a7">getMassFraction</a>(<span class="stringliteral">"He-4"</span>); <span class="comment">// Returns 0.25</span></div>
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<div class="line">}</div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a1bc2e64f87c12befdc2bc767e7405661"><div class="ttname"><a href="#a1bc2e64f87c12befdc2bc767e7405661">fourdst::composition::Composition::registerSymbol</a></div><div class="ttdeci">void registerSymbol(const std::string &symbol, bool massFracMode=true)</div><div class="ttdoc">Registers a new symbol for inclusion in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00233">composition.cpp:233</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a23b83b76ee025f6fc009184ee19bba88"><div class="ttname"><a href="#a23b83b76ee025f6fc009184ee19bba88">fourdst::composition::Composition::Composition</a></div><div class="ttdeci">Composition()=default</div><div class="ttdoc">Default constructor.</div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a493224656aa3ade68389250720ef09af"><div class="ttname"><a href="#a493224656aa3ade68389250720ef09af">fourdst::composition::Composition::setMassFraction</a></div><div class="ttdeci">double setMassFraction(const std::string &symbol, const double &mass_fraction)</div><div class="ttdoc">Sets the mass fraction for a given symbol.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00312">composition.cpp:312</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a72d063a74a9d2197065884a2cea57a14"><div class="ttname"><a href="#a72d063a74a9d2197065884a2cea57a14">fourdst::composition::Composition::finalize</a></div><div class="ttdeci">bool finalize(bool norm=false)</div><div class="ttdoc">Finalizes the composition, making it ready for querying.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00414">composition.cpp:414</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_ad20bd541dd7c45274a2e586e6a0519a7"><div class="ttname"><a href="#ad20bd541dd7c45274a2e586e6a0519a7">fourdst::composition::Composition::getMassFraction</a></div><div class="ttdeci">std::unordered_map< std::string, double > getMassFraction() const</div><div class="ttdoc">Gets the mass fractions of all species in the composition.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00559">composition.cpp:559</a></div></div>
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</div><!-- fragment --></dd></dl>
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<dl class="section user"><dt>Number Fraction Example:</dt><dd><div class="fragment"><div class="line"><a class="code hl_function" href="#a23b83b76ee025f6fc009184ee19bba88">Composition</a> comp;</div>
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<div class="line">comp.<a class="code hl_function" href="#a1bc2e64f87c12befdc2bc767e7405661">registerSymbol</a>(<span class="stringliteral">"H-1"</span>, <span class="keyword">false</span>); <span class="comment">// Register in number fraction mode</span></div>
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<div class="line">comp.<a class="code hl_function" href="#a1bc2e64f87c12befdc2bc767e7405661">registerSymbol</a>(<span class="stringliteral">"He-4"</span>, <span class="keyword">false</span>);</div>
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<div class="line">comp.<a class="code hl_function" href="#a7d4d748f3ee25e68751fb143717ed080">setNumberFraction</a>(<span class="stringliteral">"H-1"</span>, 0.9);</div>
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<div class="line">comp.<a class="code hl_function" href="#a7d4d748f3ee25e68751fb143717ed080">setNumberFraction</a>(<span class="stringliteral">"He-4"</span>, 0.1);</div>
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<div class="line"><span class="keywordflow">if</span> (comp.<a class="code hl_function" href="#a72d063a74a9d2197065884a2cea57a14">finalize</a>()) {</div>
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<div class="line"> <span class="keywordtype">double</span> he_num_frac = comp.<a class="code hl_function" href="#a84fea38bc1c005e483910285f6800e15">getNumberFraction</a>(<span class="stringliteral">"He-4"</span>); <span class="comment">// Returns 0.1</span></div>
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<div class="line">}</div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a7d4d748f3ee25e68751fb143717ed080"><div class="ttname"><a href="#a7d4d748f3ee25e68751fb143717ed080">fourdst::composition::Composition::setNumberFraction</a></div><div class="ttdeci">double setNumberFraction(const std::string &symbol, const double &number_fraction)</div><div class="ttdoc">Sets the number fraction for a given symbol.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00363">composition.cpp:363</a></div></div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a84fea38bc1c005e483910285f6800e15"><div class="ttname"><a href="#a84fea38bc1c005e483910285f6800e15">fourdst::composition::Composition::getNumberFraction</a></div><div class="ttdeci">double getNumberFraction(const std::string &symbol) const</div><div class="ttdoc">Gets the number fraction for a given symbol.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00568">composition.cpp:568</a></div></div>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00258">258</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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</div><h2 class="groupheader">Constructor & Destructor Documentation</h2>
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<h2 class="memtitle"><span class="permalink"><a href="#a23b83b76ee025f6fc009184ee19bba88">◆ </a></span>Composition() <span class="overload">[1/5]</span></h2>
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<td>(</td>
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<td class="paramname"><span class="paramname"><em></em></span></td><td>)</td>
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<p>Default constructor. </p>
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<h2 class="memtitle"><span class="permalink"><a href="#aa3ff8ece122a9fad1252061148566749">◆ </a></span>~Composition()</h2>
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<td class="memname">fourdst::composition::Composition::~Composition </td>
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<td>(</td>
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<td class="paramname"><span class="paramname"><em></em></span></td><td>)</td>
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<p>Default destructor. </p>
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<h2 class="memtitle"><span class="permalink"><a href="#ae3cc2099efd7db8eec3d9af2294b75fa">◆ </a></span>Composition() <span class="overload">[2/5]</span></h2>
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<td class="memname">fourdst::composition::Composition::Composition </td>
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<td>(</td>
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<td class="paramtype">const std::vector< std::string > &</td> <td class="paramname"><span class="paramname"><em>symbols</em></span></td><td>)</td>
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<span class="mlabels"><span class="mlabel explicit">explicit</span></span> </td>
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<p>Constructs a <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a> and registers the given symbols. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">symbols</td><td>The symbols to register. The composition will be in mass fraction mode by default. </td></tr>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_symbol_error.html" title="Exception thrown when a symbol used in a composition is invalid.">exceptions::InvalidSymbolError</a></td><td>if any symbol is invalid. </td></tr>
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<dl class="section user"><dt>Usage Example:</dt><dd><div class="fragment"><div class="line">std::vector<std::string> symbols = {<span class="stringliteral">"H-1"</span>, <span class="stringliteral">"O-16"</span>};</div>
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<div class="line"><a class="code hl_class" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> comp(symbols);</div>
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<div class="line">comp.setMassFraction(<span class="stringliteral">"H-1"</span>, 0.11);</div>
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<div class="line">comp.setMassFraction(<span class="stringliteral">"O-16"</span>, 0.89);</div>
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<div class="line">comp.finalize();</div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html"><div class="ttname"><a href="classfourdst_1_1composition_1_1_composition.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#l00258">composition.h:258</a></div></div>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00176">176</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a2d6fbe5c8142b358641bbe7ffde51053">◆ </a></span>Composition() <span class="overload">[3/5]</span></h2>
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<p>Constructs a <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a> and registers the given symbols from a set. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_symbol_error.html" title="Exception thrown when a symbol used in a composition is invalid.">exceptions::InvalidSymbolError</a></td><td>if any symbol is invalid. </td></tr>
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<dl class="section user"><dt>Usage Example:</dt><dd><div class="fragment"><div class="line">std::set<std::string> symbols = {<span class="stringliteral">"H-1"</span>, <span class="stringliteral">"O-16"</span>};</div>
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<div class="line"><a class="code hl_class" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> comp(symbols);</div>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00182">182</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#af4d4cc5875cba931a91faee13f55594e">◆ </a></span>Composition() <span class="overload">[4/5]</span></h2>
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<td>(</td>
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<p>Constructs and finalizes a <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a> with the given symbols and fractions. </p>
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<p>This constructor provides a convenient way to create a fully-formed, finalized composition in one step. The provided fractions must be valid and sum to 1.0. </p><dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">symbols</td><td>The symbols to initialize the composition with. </td></tr>
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<tr><td class="paramname">fractions</td><td>The fractions (mass or number) corresponding to the symbols. </td></tr>
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<tr><td class="paramname">massFracMode</td><td>True if <code>fractions</code> are mass fractions, false if they are number fractions. [Default: true] </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_composition_error.html" title="Exception thrown when a composition is in an invalid or inconsistent state.">exceptions::InvalidCompositionError</a></td><td>if the number of symbols and fractions do not match, or if the fractions do not sum to ~1.0. </td></tr>
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<dl class="section post"><dt>Postcondition</dt><dd>The composition is immediately finalized. </dd></dl>
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<dl class="section user"><dt>Usage Example:</dt><dd><div class="fragment"><div class="line">std::vector<std::string> symbols = {<span class="stringliteral">"H-1"</span>, <span class="stringliteral">"O-16"</span>};</div>
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<div class="line"><a class="code hl_function" href="#a23b83b76ee025f6fc009184ee19bba88">Composition</a> comp(symbols, mass_fractions); <span class="comment">// Finalized on construction</span></div>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00188">188</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a21369a80378d4c90438a34f0e4a275ca">◆ </a></span>Composition() <span class="overload">[5/5]</span></h2>
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<p>Constructs a <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a> from another <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a>. </p>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00210">210</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#ab1701644ff1c83c220dc04eb58d1621b">◆ </a></span>begin() <span class="overload">[1/2]</span></h2>
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<p>Returns an iterator to the beginning of the composition map. </p>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00821">821</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<p>Returns a const iterator to the beginning of the composition map. </p>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00829">829</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<td class="paramtype">const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> &</td> <td class="paramname"><span class="paramname"><em>isotope</em></span></td><td>)</td>
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<p>Checks if a given isotope is present in the composition. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="params"><dt>Parameters</dt><dd>
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<dl class="section return"><dt>Returns</dt><dd>True if the isotope is in the composition, false otherwise. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00906">906</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#adeaf6f1213e78cb1fe8a8317f0a8adc2">◆ </a></span>end() <span class="overload">[1/2]</span></h2>
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<td class="memname">auto fourdst::composition::Composition::end </td>
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<td>(</td>
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<p>Returns an iterator to the end of the composition map. </p>
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<dl class="section return"><dt>Returns</dt><dd>An iterator to the end. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00837">837</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#aed2f5676f8f742199f01e4d1e9664bdd">◆ </a></span>end() <span class="overload">[2/2]</span></h2>
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<td class="memname">auto fourdst::composition::Composition::end </td>
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<p>Returns a const iterator to the end of the composition map. </p>
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<dl class="section return"><dt>Returns</dt><dd>A const iterator to the end. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00845">845</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a72d063a74a9d2197065884a2cea57a14">◆ </a></span>finalize()</h2>
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<td class="memname">bool fourdst::composition::Composition::finalize </td>
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<td class="paramtype">bool</td> <td class="paramname"><span class="paramname"><em>norm</em></span><span class="paramdefsep"> = </span><span class="paramdefval">false</span></td><td>)</td>
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<p>Finalizes the composition, making it ready for querying. </p>
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<p>This method checks if the sum of all fractions (mass or number) is approximately 1.0. It also computes global properties like mean particle mass. This <b>must</b> be called before any <code>get...</code> method can be used. </p><dl class="params"><dt>Parameters</dt><dd>
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<dl class="section return"><dt>Returns</dt><dd>True if the composition is valid and successfully finalized, false otherwise. </dd></dl>
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<dl class="section post"><dt>Postcondition</dt><dd>If successful, <code>m_finalized</code> is true and global properties are computed. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00414">414</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a869dbae3db9d09c57b2df56a813a55fb">◆ </a></span>finalizeMassFracMode()</h2>
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<td class="memname">bool fourdst::composition::Composition::finalizeMassFracMode </td>
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<p>Finalizes the composition in mass fraction mode. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">norm</td><td>If true, the composition will be normalized to sum to 1. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>True if the composition is successfully finalized, false otherwise. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00427">427</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a461ab4e9cb5975cf865db5f16f03ddfe">◆ </a></span>finalizeNumberFracMode()</h2>
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<p>Finalizes the composition in number fraction mode. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">norm</td><td>If true, the composition will be normalized to sum to 1. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>True if the composition is successfully finalized, false otherwise. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00464">464</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#ac75dbc8377556c835455991c7c7fe206">◆ </a></span>getCanonicalComposition()</h2>
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<td class="memname"><a class="el" href="structfourdst_1_1composition_1_1_canonical_composition.html">CanonicalComposition</a> fourdst::composition::Composition::getCanonicalComposition </td>
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<td class="paramtype">bool</td> <td class="paramname"><span class="paramname"><em>harsh</em></span><span class="paramdefsep"> = </span><span class="paramdefval">false</span></td><td>)</td>
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<p>Gets the current canonical composition (X, Y, Z). </p>
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<p>Calculates the total mass fractions for H, He, and metals. </p><dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<tr><td class="paramname">harsh</td><td>If true, this will throw an error if <code>1 - (X + Y)</code> is not equal to the directly summed <code>Z</code> (within a tolerance). If false, it will only log a warning. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The <code><a class="el" href="structfourdst_1_1composition_1_1_canonical_composition.html" title="Represents the canonical (X, Y, Z) composition of stellar material.">CanonicalComposition</a></code> struct. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00715">715</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a1138c86f7ccd39594601c2ec63ad89e9">◆ </a></span>getComposition() <span class="overload">[1/3]</span></h2>
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<td class="memname">std::pair< std::unordered_map< std::string, <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html">CompositionEntry</a> >, <a class="el" href="structfourdst_1_1composition_1_1_global_composition.html">GlobalComposition</a> > fourdst::composition::Composition::getComposition </td>
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<p>Gets all composition entries and the global composition data. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="section return"><dt>Returns</dt><dd>A pair containing an unordered map of all CompositionEntries and the <a class="el" href="structfourdst_1_1composition_1_1_global_composition.html" title="Represents global properties of a finalized composition.">GlobalComposition</a>. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00630">630</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#afe5f1086027044c84ff35a366b2e8e2d">◆ </a></span>getComposition() <span class="overload">[2/3]</span></h2>
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<p>Gets the composition entry and global composition data for a given species. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="section return"><dt>Returns</dt><dd>A pair containing the <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html" title="Represents a single entry (an isotope) within a composition.">CompositionEntry</a> and <a class="el" href="structfourdst_1_1composition_1_1_global_composition.html" title="Represents global properties of a finalized composition.">GlobalComposition</a> for the given species. </dd></dl>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00625">625</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a092d3536b04167ea2e6e3a3b1446c377">◆ </a></span>getComposition() <span class="overload">[3/3]</span></h2>
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<p>Gets the composition entry and global composition data for a given symbol. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">symbol</td><td>The symbol to get the composition for. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>A pair containing the <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html" title="Represents a single entry (an isotope) within a composition.">CompositionEntry</a> and <a class="el" href="structfourdst_1_1composition_1_1_global_composition.html" title="Represents global properties of a finalized composition.">GlobalComposition</a> for the given symbol. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_unregistered_symbol_error.html" title="Exception thrown when a symbol is used that has not been registered.">exceptions::UnregisteredSymbolError</a></td><td>if the symbol is not in the composition. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00613">613</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#ad20bd541dd7c45274a2e586e6a0519a7">◆ </a></span>getMassFraction() <span class="overload">[1/3]</span></h2>
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<td class="memname">std::unordered_map< std::string, double > fourdst::composition::Composition::getMassFraction </td>
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<p>Gets the mass fractions of all species in the composition. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="section return"><dt>Returns</dt><dd>An unordered map of symbols to their mass fractions. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00559">559</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#aa3ba0c742872384cff3ed03789c0a17d">◆ </a></span>getMassFraction() <span class="overload">[2/3]</span></h2>
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<td class="paramtype">const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> &</td> <td class="paramname"><span class="paramname"><em>species</em></span></td><td>)</td>
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<p>Gets the mass fraction for a given isotope. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">species</td><td>The isotope to get the mass fraction for. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The mass fraction for the given isotope. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_unregistered_symbol_error.html" title="Exception thrown when a symbol is used that has not been registered.">exceptions::UnregisteredSymbolError</a></td><td>if the isotope is not registered in the composition. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00555">555</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a7f6a6edf02b55eeecf147c3f1f7f55e7">◆ </a></span>getMassFraction() <span class="overload">[3/3]</span></h2>
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<td class="memname">double fourdst::composition::Composition::getMassFraction </td>
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<p>Gets the mass fraction for a given symbol. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">symbol</td><td>The symbol to get the mass fraction for. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The mass fraction for the given symbol. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00528">528</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#acdbdf980297580e885ce3f124164315f">◆ </a></span>getMassFractionVector()</h2>
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<p>Get a uniform vector representation of the mass fraction stored in the composition object sorted such that the lightest species is at index 0 and the heaviest is at the last index. </p>
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<p>This is primarily useful for external libraries which need to ensure that vector representation uniformity is maintained </p><dl class="section return"><dt>Returns</dt><dd>the vector of mass fractions sorted by species mass (lightest to heaviest). </dd></dl>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00762">762</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a98199f435cb553f5cf4f8e520fdb8a7a">◆ </a></span>getMeanAtomicNumber()</h2>
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<p>Compute the mean atomic number of the composition. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="section return"><dt>Returns</dt><dd>Mean atomic number <Z>. </dd></dl>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00646">646</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a66401fed7054172e9b1a2687e5cc8eff">◆ </a></span>getMeanParticleMass()</h2>
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<p>Compute the mean particle mass of the composition. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="section return"><dt>Returns</dt><dd>Mean particle mass in atomic mass units (g/mol). </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00638">638</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a84d6552e2b762fabb7bddf68b05c4022">◆ </a></span>getMolarAbundance() <span class="overload">[1/2]</span></h2>
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<p>Gets the molar abundance for a given isotope. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="section return"><dt>Returns</dt><dd>The molar abundance for the given isotope. </dd></dl>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00609">609</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<p>Gets the molar abundance (X_i / A_i) for a given symbol. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="section return"><dt>Returns</dt><dd>The molar abundance for the given symbol. </dd></dl>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_unregistered_symbol_error.html" title="Exception thrown when a symbol is used that has not been registered.">exceptions::UnregisteredSymbolError</a></td><td>if the symbol is not in the composition. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00596">596</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a84d62b971bee83d944d2792c6850bc0b">◆ </a></span>getMolarAbundanceVector()</h2>
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<p>Get a uniform vector representation of the molar abundances stored in the composition object sorted such that the lightest species is at index 0 and the heaviest is at the last index. </p>
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<p>This is primarily useful for external libraries which need to ensure that vector representation uniformity is maintained </p><dl class="section return"><dt>Returns</dt><dd>the vector of molar abundances sorted by species mass (lightest to heaviest). </dd></dl>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00803">803</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a7731df9b30f8c8f13231f7e1a17b105c">◆ </a></span>getNumberFraction() <span class="overload">[1/3]</span></h2>
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<td class="memname">std::unordered_map< std::string, double > fourdst::composition::Composition::getNumberFraction </td>
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<p>Gets the number fractions of all species in the composition. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="section return"><dt>Returns</dt><dd>An unordered map of symbols to their number fractions. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00588">588</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#aa0ce4143a267e96ab7967538c76acdc3">◆ </a></span>getNumberFraction() <span class="overload">[2/3]</span></h2>
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<p>Gets the number fraction for a given isotope. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="section return"><dt>Returns</dt><dd>The number fraction for the given isotope. </dd></dl>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00584">584</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a84fea38bc1c005e483910285f6800e15">◆ </a></span>getNumberFraction() <span class="overload">[3/3]</span></h2>
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<p>Gets the number fraction for a given symbol. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="params"><dt>Parameters</dt><dd>
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<dl class="section return"><dt>Returns</dt><dd>The number fraction for the given symbol. </dd></dl>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00568">568</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a2a41242de5d49b005e0b608e79e2f2d9">◆ </a></span>getNumberFractionVector()</h2>
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<p>Get a uniform vector representation of the number fractions stored in the composition object sorted such that the lightest species is at index 0 and the heaviest is at the last index. </p>
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<p>This is primarily useful for external libraries which need to ensure that vector representation uniformity is maintained </p><dl class="section return"><dt>Returns</dt><dd>the vector of number fractions sorted by species mass (lightest to heaviest). </dd></dl>
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<dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00783">783</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a3dee7b5e1f54920de9eab99f95a516ec">◆ </a></span>getRegisteredSpecies()</h2>
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<p>Get a set of all species that are registered in the composition. </p>
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<dl class="section return"><dt>Returns</dt><dd>A set of <code><a class="el" href="structfourdst_1_1atomic_1_1_species.html" title="Represents an atomic species (isotope) with its fundamental physical properties.">atomic::Species</a></code> objects registered in the composition. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00280">280</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<p>Gets the registered symbols. </p>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00276">276</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#aa534a01f24074cc9edd7f41df228eb50">◆ </a></span>getSpeciesAtIndex()</h2>
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<p>Get the species at a given index in the sorted vector representation. </p>
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<p>This is primarily useful for external libraries which need to ensure that vector representation uniformity is maintained </p><dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd></dl>
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<dl class="section return"><dt>Returns</dt><dd>The species at the given index in the sorted vector representation. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00873">873</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<p>get the index in the sorted vector representation for a given symbol </p>
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symbol must be registered in the composition </dd></dl>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">species</td><td>the species to look up the index for. Note that this is the index species data will be at if you were to call <a class="el" href="#a84d62b971bee83d944d2792c6850bc0b" title="Get a uniform vector representation of the molar abundances stored in the composition object sorted s...">getMolarAbundanceVector()</a>, <a class="el" href="#acdbdf980297580e885ce3f124164315f" title="Get a uniform vector representation of the mass fraction stored in the composition object sorted such...">getMassFractionVector()</a>, or <a class="el" href="#a2a41242de5d49b005e0b608e79e2f2d9" title="Get a uniform vector representation of the number fractions stored in the composition object sorted s...">getNumberFractionVector()</a> </td></tr>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_unregistered_symbol_error.html" title="Exception thrown when a symbol is used that has not been registered.">exceptions::UnregisteredSymbolError</a></td><td>if the symbol is not registered in the composition </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The index of the symbol in the sorted vector representation. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00848">848</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a1204a6421205feaaed13937aefa158ba">◆ </a></span>getSpeciesIndex() <span class="overload">[2/2]</span></h2>
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<td class="memname">size_t fourdst::composition::Composition::getSpeciesIndex </td>
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<td class="paramtype">const std::string &</td> <td class="paramname"><span class="paramname"><em>symbol</em></span></td><td>)</td>
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<p>get the index in the sorted vector representation for a given symbol </p>
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<p>This is primarily useful for external libraries which need to ensure that vector representation uniformity is maintained </p><dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized. </dd>
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<dd>
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symbol must be registered in the composition </dd></dl>
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<dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">symbol</td><td>the symbol to look up the index for. Note that this is the index species data will be at if you were to call <a class="el" href="#a84d62b971bee83d944d2792c6850bc0b" title="Get a uniform vector representation of the molar abundances stored in the composition object sorted s...">getMolarAbundanceVector()</a>, <a class="el" href="#acdbdf980297580e885ce3f124164315f" title="Get a uniform vector representation of the mass fraction stored in the composition object sorted such...">getMassFractionVector()</a>, or <a class="el" href="#a2a41242de5d49b005e0b608e79e2f2d9" title="Get a uniform vector representation of the number fractions stored in the composition object sorted s...">getNumberFractionVector()</a> </td></tr>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_unregistered_symbol_error.html" title="Exception thrown when a symbol is used that has not been registered.">exceptions::UnregisteredSymbolError</a></td><td>if the symbol is not registered in the composition </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The index of the symbol in the sorted vector representation. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00823">823</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a72a368f27094b03fdd9896844e075c94">◆ </a></span>hasSymbol()</h2>
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<p>Checks if a symbol is registered in the composition. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">symbol</td><td>The symbol to check. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>True if the symbol is registered, false otherwise. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00902">902</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#addf03ba8b988970d341884d487aa94d5">◆ </a></span>isValidComposition()</h2>
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<td class="paramtype">const std::vector< double > &</td> <td class="paramname"><span class="paramname"><em>fractions</em></span></td><td>)</td>
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<p>Checks if the given fractions are valid (sum to ~1.0). </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">fractions</td><td>The fractions to check. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>True if the fractions are valid, false otherwise. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00295">295</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a8fdac26e6298008aaeaa5b15f7fe244f">◆ </a></span>isValidSymbol()</h2>
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<p>Checks if the given symbol is valid by checking against the global species database. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">symbol</td><td>The symbol to check. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>True if the symbol is valid, false otherwise. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00308">308</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a3aead72892606725a4149a5f65bd31ec">◆ </a></span>mix()</h2>
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<td class="memname"><a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> fourdst::composition::Composition::mix </td>
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<td>(</td>
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<td class="paramtype">const <a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> &</td> <td class="paramname"><span class="paramname"><em>other</em></span>, </td>
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<p>Mixes this composition with another to produce a new composition. </p>
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<p>The mixing is performed linearly on the mass fractions. The formula for each species is: <code>new_X_i = fraction * this_X_i + (1 - fraction) * other_X_i</code>. The resulting composition is automatically finalized. </p><dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">other</td><td>The other composition to mix with. </td></tr>
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<tr><td class="paramname">fraction</td><td>The mixing fraction. A value of 1.0 means the new composition is 100% <code>this</code>, 0.0 means 100% <code>other</code>. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>A new, finalized <code><a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a></code> object representing the mixture. </dd></dl>
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<dl class="section pre"><dt>Precondition</dt><dd>Both <code>this</code> and <code>other</code> compositions must be finalized. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if either composition is not finalized. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_composition_error.html" title="Exception thrown when a composition is in an invalid or inconsistent state.">exceptions::InvalidCompositionError</a></td><td>if the fraction is not between 0 and 1. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00498">498</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a24a3bdeb8e8e55b54ecdee6dcb0d9561">◆ </a></span>operator+()</h2>
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<td class="paramtype">const <a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> &</td> <td class="paramname"><span class="paramname"><em>other</em></span></td><td>)</td>
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<p>Overloads the + operator to mix two compositions with a 50/50 fraction. </p>
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<p>OVERLOADS.</p>
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<p>This is a convenience operator that calls <code>mix(other, 0.5)</code>. </p><dl class="params"><dt>Parameters</dt><dd>
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<dl class="section return"><dt>Returns</dt><dd>The new, mixed composition. </dd></dl>
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<dl class="section pre"><dt>Precondition</dt><dd>Both compositions must be finalized. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00921">921</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a4ec1e23cfecef764cb831171fed62fc2">◆ </a></span>operator=()</h2>
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<td class="memname"><a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> & fourdst::composition::Composition::operator= </td>
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<p>Assignment operator. </p>
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<dl class="section return"><dt>Returns</dt><dd>A reference to this <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a>. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00219">219</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a4ce00f73cc133bb1bac2b030b93ab480">◆ </a></span>registerSpecies() <span class="overload">[1/2]</span></h2>
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<p>Registers a new species by extracting its symbol. </p>
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<dl class="section user"><dt>Usage Example:</dt><dd><div class="fragment"><div class="line"><span class="preprocessor">#include "<a class="code" href="species_8h.html">fourdst/composition/species.h</a>"</span> <span class="comment">// Assuming species like H1 are defined here</span></div>
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<div class="line"><a class="code hl_function" href="#a23b83b76ee025f6fc009184ee19bba88">Composition</a> comp;</div>
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<div class="line">comp.<a class="code hl_function" href="#a4ce00f73cc133bb1bac2b030b93ab480">registerSpecies</a>(<a class="code hl_variable" href="namespacefourdst_1_1atomic.html#a3f619cc8f8b2cd718a4082c6adb0de90">fourdst::atomic::species</a>.at(<span class="stringliteral">"H-1"</span>));</div>
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<div class="ttc" id="aclassfourdst_1_1composition_1_1_composition_html_a4ce00f73cc133bb1bac2b030b93ab480"><div class="ttname"><a href="#a4ce00f73cc133bb1bac2b030b93ab480">fourdst::composition::Composition::registerSpecies</a></div><div class="ttdeci">void registerSpecies(const fourdst::atomic::Species &species, bool massFracMode=true)</div><div class="ttdoc">Registers a new species by extracting its symbol.</div><div class="ttdef"><b>Definition</b> <a href="composition_8cpp_source.html#l00266">composition.cpp:266</a></div></div>
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<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="ttdef"><b>Definition</b> <a href="species_8h_source.html#l03581">species.h:3581</a></div></div>
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<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><!-- fragment --> </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00266">266</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a057f2bf2e86bcc3c649c0ddf18cf3826">◆ </a></span>registerSpecies() <span class="overload">[2/2]</span></h2>
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<td class="memname">void fourdst::composition::Composition::registerSpecies </td>
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<td>(</td>
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<td class="paramtype">const std::vector< <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> > &</td> <td class="paramname"><span class="paramname"><em>species</em></span>, </td>
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<td class="paramkey"></td>
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<td class="paramtype">bool</td> <td class="paramname"><span class="paramname"><em>massFracMode</em></span><span class="paramdefsep"> = </span><span class="paramdefval">true</span> )</td>
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<p>Registers a vector of new species. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">species</td><td>The vector of species to register. </td></tr>
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<tr><td class="paramname">massFracMode</td><td>True for mass fraction mode, false for number fraction mode. </td></tr>
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</table>
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</dd>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<table class="exception">
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_symbol_error.html" title="Exception thrown when a symbol used in a composition is invalid.">exceptions::InvalidSymbolError</a></td><td>if any species' symbol is invalid. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_mode_error.html" title="Exception thrown due to a conflict in composition modes at the entry level.">exceptions::CompositionModeError</a></td><td>if the mode conflicts. </td></tr>
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</table>
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<dl class="section user"><dt>Usage Example:</dt><dd><div class="fragment"><div class="line"><span class="preprocessor">#include "<a class="code" href="species_8h.html">fourdst/composition/species.h</a>"</span></div>
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<div class="line"><a class="code hl_function" href="#a23b83b76ee025f6fc009184ee19bba88">Composition</a> comp;</div>
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<div class="line">std::vector<fourdst::atomic::Species> my_species = { ... };</div>
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<div class="line">comp.<a class="code hl_function" href="#a4ce00f73cc133bb1bac2b030b93ab480">registerSpecies</a>(my_species, <span class="keyword">false</span>); <span class="comment">// Number fraction mode</span></div>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00270">270</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a1bc2e64f87c12befdc2bc767e7405661">◆ </a></span>registerSymbol() <span class="overload">[1/2]</span></h2>
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<td class="memname">void fourdst::composition::Composition::registerSymbol </td>
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<td>(</td>
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<td class="paramtype">const std::string &</td> <td class="paramname"><span class="paramname"><em>symbol</em></span>, </td>
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<td class="paramtype">bool</td> <td class="paramname"><span class="paramname"><em>massFracMode</em></span><span class="paramdefsep"> = </span><span class="paramdefval">true</span> )</td>
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<p>Registers a new symbol for inclusion in the composition. </p>
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<p>A symbol must be registered before its abundance can be set. The first registration sets the mode (mass/number fraction) for the entire composition. </p><dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">symbol</td><td>The symbol to register (e.g., "Fe-56"). </td></tr>
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<tr><td class="paramname">massFracMode</td><td>True for mass fraction mode, false for number fraction mode. This is only effective for the first symbol registered. </td></tr>
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</table>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<table class="exception">
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_symbol_error.html" title="Exception thrown when a symbol used in a composition is invalid.">exceptions::InvalidSymbolError</a></td><td>if the symbol is not in the atomic species database. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_mode_error.html" title="Exception thrown due to a conflict in composition modes at the entry level.">exceptions::CompositionModeError</a></td><td>if attempting to register with a mode that conflicts with the existing mode. </td></tr>
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<dl class="section user"><dt>Usage Example:</dt><dd><div class="fragment"><div class="line"><a class="code hl_function" href="#a23b83b76ee025f6fc009184ee19bba88">Composition</a> comp;</div>
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<div class="line">comp.<a class="code hl_function" href="#a1bc2e64f87c12befdc2bc767e7405661">registerSymbol</a>(<span class="stringliteral">"H-1"</span>); <span class="comment">// Now in mass fraction mode</span></div>
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<div class="line">comp.<a class="code hl_function" href="#a1bc2e64f87c12befdc2bc767e7405661">registerSymbol</a>(<span class="stringliteral">"He-4"</span>); <span class="comment">// Must also be mass fraction mode</span></div>
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</div><!-- fragment --> </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00233">233</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a9b422156600823276a9606bfa07ad4db">◆ </a></span>registerSymbol() <span class="overload">[2/2]</span></h2>
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<td class="memname">void fourdst::composition::Composition::registerSymbol </td>
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<td>(</td>
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<td class="paramtype">const std::vector< std::string > &</td> <td class="paramname"><span class="paramname"><em>symbols</em></span>, </td>
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<td class="paramtype">bool</td> <td class="paramname"><span class="paramname"><em>massFracMode</em></span><span class="paramdefsep"> = </span><span class="paramdefval">true</span> )</td>
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<p>Registers multiple new symbols. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">symbols</td><td>The symbols to register. </td></tr>
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<tr><td class="paramname">massFracMode</td><td>True for mass fraction mode, false for number fraction mode. </td></tr>
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</table>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<table class="exception">
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_symbol_error.html" title="Exception thrown when a symbol used in a composition is invalid.">exceptions::InvalidSymbolError</a></td><td>if any symbol is invalid. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_mode_error.html" title="Exception thrown due to a conflict in composition modes at the entry level.">exceptions::CompositionModeError</a></td><td>if the mode conflicts with an already set mode. </td></tr>
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<dl class="section user"><dt>Usage Example:</dt><dd><div class="fragment"><div class="line">std::vector<std::string> symbols = {<span class="stringliteral">"H-1"</span>, <span class="stringliteral">"O-16"</span>};</div>
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<div class="line"><a class="code hl_class" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> comp;</div>
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<div class="line">comp.<a class="code hl_function" href="#a1bc2e64f87c12befdc2bc767e7405661">registerSymbol</a>(symbols);</div>
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</div><!-- fragment --> </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00260">260</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a0af981ed1074b26c237cf6cf35f82c9e">◆ </a></span>setCompositionMode()</h2>
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<td class="memname">void fourdst::composition::Composition::setCompositionMode </td>
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<td>(</td>
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<td class="paramtype">bool</td> <td class="paramname"><span class="paramname"><em>massFracMode</em></span></td><td>)</td>
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<p>Sets the composition mode (mass fraction vs. number fraction). </p>
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<p>This function converts all entries in the composition to the specified mode. </p><dl class="section pre"><dt>Precondition</dt><dd>The composition must be finalized before the mode can be switched. </dd></dl>
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<dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">massFracMode</td><td>True to switch to mass fraction mode, false for number fraction mode. </td></tr>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_not_finalized_error.html" title="Exception thrown when an operation is attempted on a composition that has not been finalized.">exceptions::CompositionNotFinalizedError</a></td><td>if the composition is not finalized. </td></tr>
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<tr><td class="paramname">std::runtime_error</td><td>if the conversion fails for an unknown reason. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00694">694</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#aa6c94269a5d16349c98860f3015b734a">◆ </a></span>setMassFraction() <span class="overload">[1/4]</span></h2>
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<td class="memname">double fourdst::composition::Composition::setMassFraction </td>
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<td>(</td>
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<td class="paramtype">const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> &</td> <td class="paramname"><span class="paramname"><em>species</em></span>, </td>
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<td class="paramtype">const double &</td> <td class="paramname"><span class="paramname"><em>mass_fraction</em></span> )</td>
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<p>Sets the mass fraction for a given species. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">species</td><td>The species to set the mass fraction for. </td></tr>
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<tr><td class="paramname">mass_fraction</td><td>The mass fraction to set. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The previous mass fraction that was set for the species. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_unregistered_symbol_error.html" title="Exception thrown when a symbol is used that has not been registered.">exceptions::UnregisteredSymbolError</a></td><td>if the species is not registered. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_mode_error.html" title="Exception thrown due to a conflict in composition modes at the entry level.">exceptions::CompositionModeError</a></td><td>if the composition is in number fraction mode. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_composition_error.html" title="Exception thrown when a composition is in an invalid or inconsistent state.">exceptions::InvalidCompositionError</a></td><td>if the mass fraction is not between 0 and 1. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00349">349</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a493224656aa3ade68389250720ef09af">◆ </a></span>setMassFraction() <span class="overload">[2/4]</span></h2>
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<p>Sets the mass fraction for a given symbol. </p>
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<tr><td class="paramname">symbol</td><td>The symbol to set the mass fraction for. </td></tr>
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<tr><td class="paramname">mass_fraction</td><td>The mass fraction to set (must be in [0, 1]). </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The previous mass fraction that was set for the symbol. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_unregistered_symbol_error.html" title="Exception thrown when a symbol is used that has not been registered.">exceptions::UnregisteredSymbolError</a></td><td>if the symbol is not registered. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_mode_error.html" title="Exception thrown due to a conflict in composition modes at the entry level.">exceptions::CompositionModeError</a></td><td>if the composition is in number fraction mode. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_composition_error.html" title="Exception thrown when a composition is in an invalid or inconsistent state.">exceptions::InvalidCompositionError</a></td><td>if the mass fraction is not between 0 and 1. </td></tr>
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<dl class="section post"><dt>Postcondition</dt><dd>The composition is marked as not finalized. </dd></dl>
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<dl class="section user"><dt>Usage Example:</dt><dd><div class="fragment"><div class="line"><a class="code hl_function" href="#a23b83b76ee025f6fc009184ee19bba88">Composition</a> comp;</div>
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<div class="line">comp.<a class="code hl_function" href="#a1bc2e64f87c12befdc2bc767e7405661">registerSymbol</a>(<span class="stringliteral">"H-1"</span>);</div>
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<div class="line">comp.<a class="code hl_function" href="#a493224656aa3ade68389250720ef09af">setMassFraction</a>(<span class="stringliteral">"H-1"</span>, 0.7);</div>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00312">312</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<p>Sets the mass fraction for multiple species. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">species</td><td>The vector of species to set the mass fractions for. </td></tr>
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<tr><td class="paramname">mass_fractions</td><td>The vector of mass fractions corresponding to the species. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>A vector of the previous mass fractions that were set. </dd></dl>
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<tr><td class="paramname">See</td><td><code>setMassFraction(const std::vector<std::string>&, const std::vector<double>&)</code> for exceptions. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00353">353</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a66ce1012c12b0a83629eb09d451b68e3">◆ </a></span>setMassFraction() <span class="overload">[4/4]</span></h2>
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<td class="paramtype">const std::vector< double > &</td> <td class="paramname"><span class="paramname"><em>mass_fractions</em></span> )</td>
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<p>Sets the mass fraction for multiple symbols. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">symbols</td><td>The symbols to set the mass fractions for. </td></tr>
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<tr><td class="paramname">mass_fractions</td><td>The mass fractions corresponding to the symbols. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>A vector of the previous mass fractions that were set. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<table class="exception">
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_composition_error.html" title="Exception thrown when a composition is in an invalid or inconsistent state.">exceptions::InvalidCompositionError</a></td><td>if symbol and fraction counts differ. </td></tr>
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<tr><td class="paramname">See</td><td><code>setMassFraction(const std::string&, const double&)</code> for other exceptions. </td></tr>
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<dl class="section post"><dt>Postcondition</dt><dd>The composition is marked as not finalized. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00335">335</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#aaa822bb48a948d101fef759ffbefe31b">◆ </a></span>setNumberFraction() <span class="overload">[1/4]</span></h2>
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<td class="paramtype">const <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> &</td> <td class="paramname"><span class="paramname"><em>species</em></span>, </td>
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<td class="paramtype">const double &</td> <td class="paramname"><span class="paramname"><em>number_fraction</em></span> )</td>
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<p>Sets the number fraction for a given species. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">species</td><td>The species to set the number fraction for. </td></tr>
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<tr><td class="paramname">number_fraction</td><td>The number fraction to set for the species. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The previous number fraction that was set for the species. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<table class="exception">
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_unregistered_symbol_error.html" title="Exception thrown when a symbol is used that has not been registered.">exceptions::UnregisteredSymbolError</a></td><td>if the species is not registered. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_mode_error.html" title="Exception thrown due to a conflict in composition modes at the entry level.">exceptions::CompositionModeError</a></td><td>if the composition is in mass fraction mode. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_composition_error.html" title="Exception thrown when a composition is in an invalid or inconsistent state.">exceptions::InvalidCompositionError</a></td><td>if the number fraction is not between 0 and 1. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00400">400</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a7d4d748f3ee25e68751fb143717ed080">◆ </a></span>setNumberFraction() <span class="overload">[2/4]</span></h2>
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<td class="paramtype">const std::string &</td> <td class="paramname"><span class="paramname"><em>symbol</em></span>, </td>
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<td class="paramtype">const double &</td> <td class="paramname"><span class="paramname"><em>number_fraction</em></span> )</td>
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<p>Sets the number fraction for a given symbol. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">symbol</td><td>The symbol to set the number fraction for. </td></tr>
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<tr><td class="paramname">number_fraction</td><td>The number fraction to set (must be in [0, 1]). </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The previous number fraction that was set. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<table class="exception">
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_unregistered_symbol_error.html" title="Exception thrown when a symbol is used that has not been registered.">exceptions::UnregisteredSymbolError</a></td><td>if the symbol is not registered. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_composition_mode_error.html" title="Exception thrown due to a conflict in composition modes at the entry level.">exceptions::CompositionModeError</a></td><td>if the composition is in mass fraction mode. </td></tr>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_composition_error.html" title="Exception thrown when a composition is in an invalid or inconsistent state.">exceptions::InvalidCompositionError</a></td><td>if the number fraction is not between 0 and 1. </td></tr>
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<dl class="section post"><dt>Postcondition</dt><dd>The composition is marked as not finalized. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00363">363</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#adc068778a1ef33cad67f5ca028b49bb8">◆ </a></span>setNumberFraction() <span class="overload">[3/4]</span></h2>
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<td class="memname">std::vector< double > fourdst::composition::Composition::setNumberFraction </td>
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<td class="paramtype">const std::vector< <a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> > &</td> <td class="paramname"><span class="paramname"><em>species</em></span>, </td>
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<td class="paramtype">const std::vector< double > &</td> <td class="paramname"><span class="paramname"><em>number_fractions</em></span> )</td>
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<p>Sets the number fraction for multiple species. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">species</td><td>The vector of species to set the number fractions for. </td></tr>
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<tr><td class="paramname">number_fractions</td><td>The vector of number fractions corresponding to the species. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The vector of the previous number fractions that were set. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<table class="exception">
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<tr><td class="paramname">See</td><td><code>setNumberFraction(const std::vector<std::string>&, const std::vector<double>&)</code> for exceptions. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00404">404</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a48014a0a725ebd91ad1193c063b5b26f">◆ </a></span>setNumberFraction() <span class="overload">[4/4]</span></h2>
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<td class="paramtype">const std::vector< double > &</td> <td class="paramname"><span class="paramname"><em>number_fractions</em></span> )</td>
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<p>Sets the number fraction for multiple symbols. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<table class="params">
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<tr><td class="paramname">symbols</td><td>The symbols to set the number fractions for. </td></tr>
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<tr><td class="paramname">number_fractions</td><td>The number fractions corresponding to the symbols. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>A vector of the previous number fractions that were set. </dd></dl>
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<table class="exception">
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_composition_error.html" title="Exception thrown when a composition is in an invalid or inconsistent state.">exceptions::InvalidCompositionError</a></td><td>if symbol and fraction counts differ. </td></tr>
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<tr><td class="paramname">See</td><td><code>setNumberFraction(const std::string&, const double&)</code> for other exceptions. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00386">386</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a17635cd21744c7cf86cb1eb75152c816">◆ </a></span>subset()</h2>
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<td class="memname"><a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> fourdst::composition::Composition::subset </td>
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<td>(</td>
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<td class="paramtype">const std::vector< std::string > &</td> <td class="paramname"><span class="paramname"><em>symbols</em></span>, </td>
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<p>Creates a new <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a> object containing a subset of species from this one. </p>
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<tr><td class="paramname">method</td><td>The method for handling the abundances of the new subset. Can be "norm" (normalize abundances to sum to 1) or "none" (keep original abundances). </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>A new <code><a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a></code> object containing the subset. </dd></dl>
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<dl class="exception"><dt>Exceptions</dt><dd>
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<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_unregistered_symbol_error.html" title="Exception thrown when a symbol is used that has not been registered.">exceptions::UnregisteredSymbolError</a></td><td>if any requested symbol is not in the original composition. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00665">665</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a86982685c34db4a8f079ddafc25c594e">◆ </a></span>validateComposition()</h2>
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<p>Validates the given fractions, throwing an exception on failure. </p>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00288">288</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="groupheader">Friends And Related Symbol Documentation</h2>
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<h2 class="memtitle"><span class="permalink"><a href="#a36c2525d21cd932065bb2bb30bc57fb4">◆ </a></span>operator<<</h2>
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<td class="memname">std::ostream & operator<< </td>
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<td>(</td>
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<td class="paramtype">std::ostream &</td> <td class="paramname"><span class="paramname"><em>os</em></span>, </td>
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<td class="paramtype">const <a class="el" href="classfourdst_1_1composition_1_1_composition.html">Composition</a> &</td> <td class="paramname"><span class="paramname"><em>composition</em></span> )</td>
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<p>Overloaded output stream operator for <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a>. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">os</td><td>The output stream. </td></tr>
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<tr><td class="paramname">composition</td><td>The <a class="el" href="classfourdst_1_1composition_1_1_composition.html" title="Manages a collection of chemical species and their abundances.">Composition</a> to output. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The output stream. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00937">937</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="groupheader">Member Data Documentation</h2>
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<h2 class="memtitle"><span class="permalink"><a href="#aa7f2753b10e85ae3bbf0c3d600a973db">◆ </a></span>m_compositions</h2>
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<td class="memname">std::unordered_map<std::string, <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html">CompositionEntry</a>> fourdst::composition::Composition::m_compositions</td>
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<p>The compositions. </p>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00270">270</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<td class="memname">fourdst::config::Config& fourdst::composition::Composition::m_config = fourdst::config::Config::getInstance()</td>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00260">260</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#aa00cbc0933d8a22bb900ac21a338e5ac">◆ </a></span>m_finalized</h2>
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<p>True if the composition is finalized. </p>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00264">264</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00262">262</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00261">261</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a671f1ee8be00f4ff8c1d94fabb382380">◆ </a></span>m_massFracMode</h2>
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<p>True if mass fraction mode, false if number fraction mode. </p>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00267">267</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<p>The mean particle mass of the composition (\sum_{i} \frac{n_i}{m_i}. where n_i is the number fraction of the ith species and m_i is the mass of the ith species). </p>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00266">266</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<p>The registered symbols. </p>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00269">269</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#addae4484da7d5072ab66a721dbe04ced">◆ </a></span>m_specificNumberDensity</h2>
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<p>The specific number density of the composition (\sum_{i} X_i m_i. Where X_i is the number fraction of the ith species and m_i is the mass of the ith species). </p>
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<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00265">265</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<hr/>The documentation for this class was generated from the following files:<ul>
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<li>src/composition/include/fourdst/composition/<a class="el" href="composition_8h_source.html">composition.h</a></li>
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<li>src/composition/lib/<a class="el" href="composition_8cpp_source.html">composition.cpp</a></li>
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