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docs(docs): added robust docs
2025-07-24 09:35:52 -04:00
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<div id="projectname">fourdst::libcomposition<span id="projectnumber">&#160;v1.5.2</span>
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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> &#124;
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<div class="headertitle"><div class="title">fourdst::composition::CompositionEntry Struct Reference</div></div>
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<p>Represents a single entry (an isotope) within a composition.
<a href="#details">More...</a></p>
<p><code>#include &lt;<a class="el" href="composition_8h_source.html">composition.h</a>&gt;</code></p>
<table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a id="pub-methods" name="pub-methods"></a>
Public Member Functions</h2></td></tr>
<tr class="memitem:a1cccb94c150dd1dcde860f55fbeaf2bd" id="r_a1cccb94c150dd1dcde860f55fbeaf2bd"><td class="memItemLeft" align="right" valign="top">&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a1cccb94c150dd1dcde860f55fbeaf2bd">CompositionEntry</a> ()</td></tr>
<tr class="memdesc:a1cccb94c150dd1dcde860f55fbeaf2bd"><td class="mdescLeft">&#160;</td><td class="mdescRight">Default constructor. Initializes a default entry (H-1), but in an uninitialized state. <br /></td></tr>
<tr class="separator:a1cccb94c150dd1dcde860f55fbeaf2bd"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:af27b09bb4e1ee357bb657146feb6039e" id="r_af27b09bb4e1ee357bb657146feb6039e"><td class="memItemLeft" align="right" valign="top">&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#af27b09bb4e1ee357bb657146feb6039e">CompositionEntry</a> (const std::string &amp;<a class="el" href="#a50d18b4c27611fa9314dd756af54c2f0">symbol</a>, bool massFracMode=true)</td></tr>
<tr class="memdesc:af27b09bb4e1ee357bb657146feb6039e"><td class="mdescLeft">&#160;</td><td class="mdescRight">Constructs a <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html" title="Represents a single entry (an isotope) within a composition.">CompositionEntry</a> for a given symbol and abundance mode. <br /></td></tr>
<tr class="separator:af27b09bb4e1ee357bb657146feb6039e"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a38f3e109b2952c1f0e7444d7fb9e93a0" id="r_a38f3e109b2952c1f0e7444d7fb9e93a0"><td class="memItemLeft" align="right" valign="top">&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a38f3e109b2952c1f0e7444d7fb9e93a0">CompositionEntry</a> (const <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html">CompositionEntry</a> &amp;entry)</td></tr>
<tr class="memdesc:a38f3e109b2952c1f0e7444d7fb9e93a0"><td class="mdescLeft">&#160;</td><td class="mdescRight">Copy constructor. <br /></td></tr>
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<tr class="memitem:a5885a0e33687bceb15b225a00163e9d3" id="r_a5885a0e33687bceb15b225a00163e9d3"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a5885a0e33687bceb15b225a00163e9d3">setSpecies</a> (const std::string &amp;<a class="el" href="#a50d18b4c27611fa9314dd756af54c2f0">symbol</a>)</td></tr>
<tr class="memdesc:a5885a0e33687bceb15b225a00163e9d3"><td class="mdescLeft">&#160;</td><td class="mdescRight">Sets the species for the composition entry. This can only be done once. <br /></td></tr>
<tr class="separator:a5885a0e33687bceb15b225a00163e9d3"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a50d18b4c27611fa9314dd756af54c2f0" id="r_a50d18b4c27611fa9314dd756af54c2f0"><td class="memItemLeft" align="right" valign="top">std::string&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a50d18b4c27611fa9314dd756af54c2f0">symbol</a> () const</td></tr>
<tr class="memdesc:a50d18b4c27611fa9314dd756af54c2f0"><td class="mdescLeft">&#160;</td><td class="mdescRight">Gets the chemical symbol of the species. <br /></td></tr>
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<tr class="memitem:a66cb086719d7f654869bd7b0cee87ffc" id="r_a66cb086719d7f654869bd7b0cee87ffc"><td class="memItemLeft" align="right" valign="top">double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a66cb086719d7f654869bd7b0cee87ffc">mass_fraction</a> () const</td></tr>
<tr class="memdesc:a66cb086719d7f654869bd7b0cee87ffc"><td class="mdescLeft">&#160;</td><td class="mdescRight">Gets the mass fraction of the species. <br /></td></tr>
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<tr class="memitem:a27b0ae0f7ef9469d515c4c7b6ec8dc22" id="r_a27b0ae0f7ef9469d515c4c7b6ec8dc22"><td class="memItemLeft" align="right" valign="top">double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a27b0ae0f7ef9469d515c4c7b6ec8dc22">mass_fraction</a> (double meanMolarMass) const</td></tr>
<tr class="memdesc:a27b0ae0f7ef9469d515c4c7b6ec8dc22"><td class="mdescLeft">&#160;</td><td class="mdescRight">Gets the mass fraction, converting from number fraction if necessary. <br /></td></tr>
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<tr class="memitem:a2d55492d285068d4a64db5602dfb1c78" id="r_a2d55492d285068d4a64db5602dfb1c78"><td class="memItemLeft" align="right" valign="top">double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a2d55492d285068d4a64db5602dfb1c78">number_fraction</a> () const</td></tr>
<tr class="memdesc:a2d55492d285068d4a64db5602dfb1c78"><td class="mdescLeft">&#160;</td><td class="mdescRight">Gets the number fraction of the species. <br /></td></tr>
<tr class="separator:a2d55492d285068d4a64db5602dfb1c78"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:ab96d976b53f3828237525005b904a39c" id="r_ab96d976b53f3828237525005b904a39c"><td class="memItemLeft" align="right" valign="top">double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#ab96d976b53f3828237525005b904a39c">number_fraction</a> (double totalMoles) const</td></tr>
<tr class="memdesc:ab96d976b53f3828237525005b904a39c"><td class="mdescLeft">&#160;</td><td class="mdescRight">Gets the number fraction, converting from mass fraction if necessary. <br /></td></tr>
<tr class="separator:ab96d976b53f3828237525005b904a39c"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:ab6619d23e111905d1e3ab16ee822d96c" id="r_ab6619d23e111905d1e3ab16ee822d96c"><td class="memItemLeft" align="right" valign="top">double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#ab6619d23e111905d1e3ab16ee822d96c">rel_abundance</a> () const</td></tr>
<tr class="memdesc:ab6619d23e111905d1e3ab16ee822d96c"><td class="mdescLeft">&#160;</td><td class="mdescRight">Gets the relative abundance of the species. <br /></td></tr>
<tr class="separator:ab6619d23e111905d1e3ab16ee822d96c"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:af4f8d292d18755670a914072e2260dfb" id="r_af4f8d292d18755670a914072e2260dfb"><td class="memItemLeft" align="right" valign="top"><a class="el" href="structfourdst_1_1atomic_1_1_species.html">atomic::Species</a>&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#af4f8d292d18755670a914072e2260dfb">isotope</a> () const</td></tr>
<tr class="memdesc:af4f8d292d18755670a914072e2260dfb"><td class="mdescLeft">&#160;</td><td class="mdescRight">Gets the isotope data for the species. <br /></td></tr>
<tr class="separator:af4f8d292d18755670a914072e2260dfb"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a14f12b8b0178df2e32e2023bd4564ddc" id="r_a14f12b8b0178df2e32e2023bd4564ddc"><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a14f12b8b0178df2e32e2023bd4564ddc">getMassFracMode</a> () const</td></tr>
<tr class="memdesc:a14f12b8b0178df2e32e2023bd4564ddc"><td class="mdescLeft">&#160;</td><td class="mdescRight">Gets the mode of the composition entry. <br /></td></tr>
<tr class="separator:a14f12b8b0178df2e32e2023bd4564ddc"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a4d6df43e098e7e2e2d94ff7fb76cb4c2" id="r_a4d6df43e098e7e2e2d94ff7fb76cb4c2"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a4d6df43e098e7e2e2d94ff7fb76cb4c2">setMassFraction</a> (double <a class="el" href="#a66cb086719d7f654869bd7b0cee87ffc">mass_fraction</a>)</td></tr>
<tr class="memdesc:a4d6df43e098e7e2e2d94ff7fb76cb4c2"><td class="mdescLeft">&#160;</td><td class="mdescRight">Sets the mass fraction of the species. <br /></td></tr>
<tr class="separator:a4d6df43e098e7e2e2d94ff7fb76cb4c2"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a9ec47cf4b3399128d3836c1b24b031b0" id="r_a9ec47cf4b3399128d3836c1b24b031b0"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a9ec47cf4b3399128d3836c1b24b031b0">setNumberFraction</a> (double <a class="el" href="#a2d55492d285068d4a64db5602dfb1c78">number_fraction</a>)</td></tr>
<tr class="memdesc:a9ec47cf4b3399128d3836c1b24b031b0"><td class="mdescLeft">&#160;</td><td class="mdescRight">Sets the number fraction of the species. <br /></td></tr>
<tr class="separator:a9ec47cf4b3399128d3836c1b24b031b0"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a3fb3f63a4e5675c6fefb662a8e3e7aa3" id="r_a3fb3f63a4e5675c6fefb662a8e3e7aa3"><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a3fb3f63a4e5675c6fefb662a8e3e7aa3">setMassFracMode</a> (double meanMolarMass)</td></tr>
<tr class="memdesc:a3fb3f63a4e5675c6fefb662a8e3e7aa3"><td class="mdescLeft">&#160;</td><td class="mdescRight">Switches the mode to mass fraction mode. <br /></td></tr>
<tr class="separator:a3fb3f63a4e5675c6fefb662a8e3e7aa3"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a743042d1998875851150d789817f5473" id="r_a743042d1998875851150d789817f5473"><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a743042d1998875851150d789817f5473">setNumberFracMode</a> (double totalMoles)</td></tr>
<tr class="memdesc:a743042d1998875851150d789817f5473"><td class="mdescLeft">&#160;</td><td class="mdescRight">Switches the mode to number fraction mode. <br /></td></tr>
<tr class="separator:a743042d1998875851150d789817f5473"><td class="memSeparator" colspan="2">&#160;</td></tr>
</table><table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a id="pub-attribs" name="pub-attribs"></a>
Public Attributes</h2></td></tr>
<tr class="memitem:ac273debdba6a1b3ac0f11698c399d38e" id="r_ac273debdba6a1b3ac0f11698c399d38e"><td class="memItemLeft" align="right" valign="top">std::string&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#ac273debdba6a1b3ac0f11698c399d38e">m_symbol</a></td></tr>
<tr class="memdesc:ac273debdba6a1b3ac0f11698c399d38e"><td class="mdescLeft">&#160;</td><td class="mdescRight">The chemical symbol of the species (e.g., "H-1", "Fe-56"). <br /></td></tr>
<tr class="separator:ac273debdba6a1b3ac0f11698c399d38e"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a79039cbdc76b4401eb2ce44b85467503" id="r_a79039cbdc76b4401eb2ce44b85467503"><td class="memItemLeft" align="right" valign="top"><a class="el" href="structfourdst_1_1atomic_1_1_species.html">atomic::Species</a>&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a79039cbdc76b4401eb2ce44b85467503">m_isotope</a></td></tr>
<tr class="memdesc:a79039cbdc76b4401eb2ce44b85467503"><td class="mdescLeft">&#160;</td><td class="mdescRight">The <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> object containing detailed isotope data. <br /></td></tr>
<tr class="separator:a79039cbdc76b4401eb2ce44b85467503"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a1e860519bea86793413ed67c76d18c8b" id="r_a1e860519bea86793413ed67c76d18c8b"><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a1e860519bea86793413ed67c76d18c8b">m_massFracMode</a> = true</td></tr>
<tr class="memdesc:a1e860519bea86793413ed67c76d18c8b"><td class="mdescLeft">&#160;</td><td class="mdescRight">The mode of the composition entry. True if mass fraction, false if number fraction. <br /></td></tr>
<tr class="separator:a1e860519bea86793413ed67c76d18c8b"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:adc20165bf94e18eea3458003025579ac" id="r_adc20165bf94e18eea3458003025579ac"><td class="memItemLeft" align="right" valign="top">double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#adc20165bf94e18eea3458003025579ac">m_massFraction</a> = 0.0</td></tr>
<tr class="memdesc:adc20165bf94e18eea3458003025579ac"><td class="mdescLeft">&#160;</td><td class="mdescRight">The mass fraction of the species. Valid only if <code>m_massFracMode</code> is true. <br /></td></tr>
<tr class="separator:adc20165bf94e18eea3458003025579ac"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a2b5e245f7dabb11076efdbe1ed516d9f" id="r_a2b5e245f7dabb11076efdbe1ed516d9f"><td class="memItemLeft" align="right" valign="top">double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a2b5e245f7dabb11076efdbe1ed516d9f">m_numberFraction</a> = 0.0</td></tr>
<tr class="memdesc:a2b5e245f7dabb11076efdbe1ed516d9f"><td class="mdescLeft">&#160;</td><td class="mdescRight">The number fraction (mole fraction) of the species. Valid only if <code>m_massFracMode</code> is false. <br /></td></tr>
<tr class="separator:a2b5e245f7dabb11076efdbe1ed516d9f"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a0498d707d8ea78be39283786c10657ef" id="r_a0498d707d8ea78be39283786c10657ef"><td class="memItemLeft" align="right" valign="top">double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a0498d707d8ea78be39283786c10657ef">m_relAbundance</a> = 0.0</td></tr>
<tr class="memdesc:a0498d707d8ea78be39283786c10657ef"><td class="mdescLeft">&#160;</td><td class="mdescRight">The relative abundance, used internally for conversions. For mass fraction mode, this is X_i / A_i; for number fraction mode, it's n_i * A_i. <br /></td></tr>
<tr class="separator:a0498d707d8ea78be39283786c10657ef"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a391e899874cd7ef299a3ae1f64c016d2" id="r_a391e899874cd7ef299a3ae1f64c016d2"><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#a391e899874cd7ef299a3ae1f64c016d2">m_initialized</a> = false</td></tr>
<tr class="memdesc:a391e899874cd7ef299a3ae1f64c016d2"><td class="mdescLeft">&#160;</td><td class="mdescRight">True if the composition entry has been initialized with a valid species. <br /></td></tr>
<tr class="separator:a391e899874cd7ef299a3ae1f64c016d2"><td class="memSeparator" colspan="2">&#160;</td></tr>
</table><table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a id="friends" name="friends"></a>
Friends</h2></td></tr>
<tr class="memitem:ae7a6a113fc5914248eff5629716d6eb2" id="r_ae7a6a113fc5914248eff5629716d6eb2"><td class="memItemLeft" align="right" valign="top">std::ostream &amp;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="#ae7a6a113fc5914248eff5629716d6eb2">operator&lt;&lt;</a> (std::ostream &amp;os, const <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html">CompositionEntry</a> &amp;entry)</td></tr>
<tr class="memdesc:ae7a6a113fc5914248eff5629716d6eb2"><td class="mdescLeft">&#160;</td><td class="mdescRight">Overloaded output stream operator for <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html" title="Represents a single entry (an isotope) within a composition.">CompositionEntry</a>. <br /></td></tr>
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<a name="details" id="details"></a><h2 class="groupheader">Detailed Description</h2>
<div class="textblock"><p>Represents a single entry (an isotope) within a composition. </p>
<p>This struct holds the properties of one component, including its symbol, the corresponding <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> object, and its abundance (either as a mass fraction or number fraction). It manages the state and conversions for that single entry. </p>
<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00083">83</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
</div><h2 class="groupheader">Constructor &amp; Destructor Documentation</h2>
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<p>Default constructor. Initializes a default entry (H-1), but in an uninitialized state. </p>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00063">63</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<td class="paramtype">const std::string &amp;</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>&#160;)</td>
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<p>Constructs a <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html" title="Represents a single entry (an isotope) within a composition.">CompositionEntry</a> for a given symbol and abundance mode. </p>
<dl class="params"><dt>Parameters</dt><dd>
<table class="params">
<tr><td class="paramname">symbol</td><td>The chemical symbol of the species (e.g., "He-4"). </td></tr>
<tr><td class="paramname">massFracMode</td><td>True to operate in 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_invalid_species_symbol_error.html" title="Exception thrown for an invalid chemical species symbol in a composition entry.">exceptions::InvalidSpeciesSymbolError</a></td><td>if the symbol does not exist in the atomic species database. </td></tr>
<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_entry_already_initialized_error.html" title="Exception thrown when attempting to initialize a composition entry that has already been initialized.">exceptions::EntryAlreadyInitializedError</a></td><td>if setSpecies is called on an already initialized entry. </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="#a1cccb94c150dd1dcde860f55fbeaf2bd">CompositionEntry</a> entry(<span class="stringliteral">&quot;H-1&quot;</span>, <span class="keyword">true</span>); <span class="comment">// Entry for H-1 in mass fraction mode.</span></div>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00068">68</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<p>Copy constructor. </p>
<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">entry</td><td>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> to copy. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00072">72</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<h2 class="groupheader">Member Function Documentation</h2>
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<h2 class="memtitle"><span class="permalink"><a href="#a14f12b8b0178df2e32e2023bd4564ddc">&#9670;&#160;</a></span>getMassFracMode()</h2>
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<p>Gets the mode of the composition entry. </p>
<dl class="section return"><dt>Returns</dt><dd>True if in mass fraction mode, false if in number fraction mode. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00172">172</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="#af4f8d292d18755670a914072e2260dfb">&#9670;&#160;</a></span>isotope()</h2>
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<td class="memname"><a class="el" href="structfourdst_1_1atomic_1_1_species.html">fourdst::atomic::Species</a> fourdst::composition::CompositionEntry::isotope </td>
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<p>Gets the isotope data for the species. </p>
<dl class="section return"><dt>Returns</dt><dd>A const reference to the <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> object. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00134">134</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<p>Gets the mass fraction of the species. </p>
<dl class="section pre"><dt>Precondition</dt><dd>The entry must be in mass fraction mode. </dd></dl>
<dl class="section return"><dt>Returns</dt><dd>The mass fraction of the species. </dd></dl>
<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_mode_error.html" title="Exception thrown due to a conflict in composition modes at the entry level.">exceptions::CompositionModeError</a></td><td>if the entry is in number fraction mode. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00097">97</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<p>Gets the mass fraction, converting from number fraction if necessary. </p>
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<tr><td class="paramname">meanMolarMass</td><td>The mean molar mass of the entire composition, required for conversion. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The mass fraction of the species. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00104">104</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<p>Gets the number fraction of the species. </p>
<dl class="section pre"><dt>Precondition</dt><dd>The entry must be in number fraction mode. </dd></dl>
<dl class="section return"><dt>Returns</dt><dd>The number fraction of the species. </dd></dl>
<dl class="exception"><dt>Exceptions</dt><dd>
<table class="exception">
<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 entry is in mass fraction mode. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00114">114</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<p>Gets the number fraction, converting from mass fraction if necessary. </p>
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<dl class="section return"><dt>Returns</dt><dd>The number fraction of the species. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00121">121</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<p>Gets the relative abundance of the species. </p>
<dl class="section return"><dt>Returns</dt><dd>The relative abundance. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00130">130</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<p>Switches the mode to mass fraction mode. </p>
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<dl class="section return"><dt>Returns</dt><dd>True if the mode was successfully set, false otherwise. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00154">154</a> of file <a class="el" href="composition_8cpp_source.html">composition.cpp</a>.</p>
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<td class="memname">void fourdst::composition::CompositionEntry::setMassFraction </td>
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<p>Sets the mass fraction of the species. </p>
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<dl class="section pre"><dt>Precondition</dt><dd>The entry must be in mass fraction mode. </dd></dl>
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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 entry is in number fraction mode. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00138">138</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="#a743042d1998875851150d789817f5473">&#9670;&#160;</a></span>setNumberFracMode()</h2>
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<td class="memname">bool fourdst::composition::CompositionEntry::setNumberFracMode </td>
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<td class="paramtype">double</td> <td class="paramname"><span class="paramname"><em>totalMoles</em></span></td><td>)</td>
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<p>Switches the mode to number fraction mode. </p>
<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">totalMoles</td><td>The total moles per unit mass (specific number density) of the composition. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>True if the mode was successfully set, false otherwise. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00163">163</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="#a9ec47cf4b3399128d3836c1b24b031b0">&#9670;&#160;</a></span>setNumberFraction()</h2>
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<td class="memname">void fourdst::composition::CompositionEntry::setNumberFraction </td>
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<p>Sets the number fraction of the species. </p>
<dl class="params"><dt>Parameters</dt><dd>
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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 pre"><dt>Precondition</dt><dd>The entry must be in number fraction mode. </dd></dl>
<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_mode_error.html" title="Exception thrown due to a conflict in composition modes at the entry level.">exceptions::CompositionModeError</a></td><td>if the entry is in mass fraction mode. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00146">146</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="#a5885a0e33687bceb15b225a00163e9d3">&#9670;&#160;</a></span>setSpecies()</h2>
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<td class="memname">void fourdst::composition::CompositionEntry::setSpecies </td>
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<p>Sets the species for the composition entry. This can only be done once. </p>
<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">symbol</td><td>The chemical symbol of the species. </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_entry_already_initialized_error.html" title="Exception thrown when attempting to initialize a composition entry that has already been initialized.">exceptions::EntryAlreadyInitializedError</a></td><td>if the entry has already been initialized. </td></tr>
<tr><td class="paramname"><a class="el" href="classfourdst_1_1composition_1_1exceptions_1_1_invalid_species_symbol_error.html" title="Exception thrown for an invalid chemical species symbol in a composition entry.">exceptions::InvalidSpeciesSymbolError</a></td><td>if the symbol is not found in the atomic species database. </td></tr>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00081">81</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="#a50d18b4c27611fa9314dd756af54c2f0">&#9670;&#160;</a></span>symbol()</h2>
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<p>Gets the chemical symbol of the species. </p>
<dl class="section return"><dt>Returns</dt><dd>The chemical symbol. </dd></dl>
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<p class="definition">Definition at line <a class="el" href="composition_8cpp_source.html#l00093">93</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="#ae7a6a113fc5914248eff5629716d6eb2">&#9670;&#160;</a></span>operator&lt;&lt;</h2>
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<td class="memname">std::ostream &amp; operator&lt;&lt; </td>
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<p>Overloaded output stream operator for <a class="el" href="structfourdst_1_1composition_1_1_composition_entry.html" title="Represents a single entry (an isotope) within a composition.">CompositionEntry</a>. </p>
<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">os</td><td>The output stream. </td></tr>
<tr><td class="paramname">entry</td><td>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> 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#l00932">932</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="#a391e899874cd7ef299a3ae1f64c016d2">&#9670;&#160;</a></span>m_initialized</h2>
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<p>True if the composition entry has been initialized with a valid species. </p>
<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00092">92</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="#a79039cbdc76b4401eb2ce44b85467503">&#9670;&#160;</a></span>m_isotope</h2>
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<td class="memname"><a class="el" href="structfourdst_1_1atomic_1_1_species.html">atomic::Species</a> fourdst::composition::CompositionEntry::m_isotope</td>
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<p>The <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> object containing detailed isotope data. </p>
<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00085">85</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<p>The mode of the composition entry. True if mass fraction, false if number fraction. </p>
<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00086">86</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<p>The mass fraction of the species. Valid only if <code>m_massFracMode</code> is true. </p>
<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00088">88</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<p>The number fraction (mole fraction) of the species. Valid only if <code>m_massFracMode</code> is false. </p>
<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00089">89</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<p>The relative abundance, used internally for conversions. For mass fraction mode, this is X_i / A_i; for number fraction mode, it's n_i * A_i. </p>
<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00090">90</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<p>The chemical symbol of the species (e.g., "H-1", "Fe-56"). </p>
<p class="definition">Definition at line <a class="el" href="composition_8h_source.html#l00084">84</a> of file <a class="el" href="composition_8h_source.html">composition.h</a>.</p>
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<hr/>The documentation for this struct was generated from the following files:<ul>
<li>src/composition/include/fourdst/composition/<a class="el" href="composition_8h_source.html">composition.h</a></li>
<li>src/composition/lib/<a class="el" href="composition_8cpp_source.html">composition.cpp</a></li>
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