1632 lines
90 KiB
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1632 lines
90 KiB
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<a href="#pub-methods">Public Member Functions</a> |
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<div class="headertitle"><div class="title">gridfire::reaction::ReaclibReaction Class Reference</div></div>
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<p><code>#include <reaction.h></code></p>
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Inheritance diagram for gridfire::reaction::ReaclibReaction:</div>
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<area href="classgridfire_1_1reaction_1_1_reaction.html" title="Represents a single nuclear reaction from a specific data source." alt="gridfire::reaction::Reaction" shape="rect" coords="0,0,243,24"/>
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<area href="classgridfire_1_1reaction_1_1_logical_reaclib_reaction.html" title="Represents a "logical" reaction that aggregates rates from multiple sources." alt="gridfire::reaction::LogicalReaclibReaction" shape="rect" coords="0,112,243,136"/>
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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:ae2b9b41a598c5f0dcd050b32985ea44e" id="r_ae2b9b41a598c5f0dcd050b32985ea44e"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="#ae2b9b41a598c5f0dcd050b32985ea44e">~ReaclibReaction</a> () override=default</td></tr>
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<tr class="separator:ae2b9b41a598c5f0dcd050b32985ea44e"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a264112a230817a6080c770686e5bcc01" id="r_a264112a230817a6080c770686e5bcc01"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="#a264112a230817a6080c770686e5bcc01">ReaclibReaction</a> (std::string_view <a class="el" href="#a06312f834439ccf93012dea53cab47ce">id</a>, std::string_view <a class="el" href="#af775f97f4d5e144e33bc6e0ba58a5851">peName</a>, int <a class="el" href="#abe189c43e4d509d9d05dd205861ceddc">chapter</a>, const std::vector< fourdst::atomic::Species > &<a class="el" href="#ad095aba46860fec0e68386bf04f7f142">reactants</a>, const std::vector< fourdst::atomic::Species > &<a class="el" href="#a5f563b99bb550d5bafa2a989502de019">products</a>, double <a class="el" href="#ae47931948f12816eb890c0db4fff4d68">qValue</a>, std::string_view label, const <a class="el" href="structgridfire_1_1reaction_1_1_rate_coefficient_set.html">RateCoefficientSet</a> &sets, bool reverse=false)</td></tr>
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<tr class="memdesc:a264112a230817a6080c770686e5bcc01"><td class="mdescLeft"> </td><td class="mdescRight">Constructs a <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html" title="Represents a single nuclear reaction from a specific data source.">Reaction</a> object. <br /></td></tr>
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<tr class="separator:a264112a230817a6080c770686e5bcc01"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:acd16b1daf13456b3523362a37b1bf9b0" id="r_acd16b1daf13456b3523362a37b1bf9b0"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#acd16b1daf13456b3523362a37b1bf9b0">calculate_rate</a> (double T9, double rho, double Ye, double mue, const std::vector< double > &Y, const std::unordered_map< size_t, fourdst::atomic::Species > &index_to_species_map) const override</td></tr>
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<tr class="memdesc:acd16b1daf13456b3523362a37b1bf9b0"><td class="mdescLeft"> </td><td class="mdescRight">Calculates the reaction rate for a given temperature. <br /></td></tr>
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<tr class="separator:acd16b1daf13456b3523362a37b1bf9b0"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:afec5ccf7a8fb1ba56c8cc852ce858c5e" id="r_afec5ccf7a8fb1ba56c8cc852ce858c5e"><td class="memItemLeft" align="right" valign="top">CppAD::AD< double > </td><td class="memItemRight" valign="bottom"><a class="el" href="#afec5ccf7a8fb1ba56c8cc852ce858c5e">calculate_rate</a> (CppAD::AD< double > T9, CppAD::AD< double > rho, CppAD::AD< double > Ye, CppAD::AD< double > mue, const std::vector< CppAD::AD< double > > &Y, const std::unordered_map< size_t, fourdst::atomic::Species > &index_to_species_map) const override</td></tr>
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<tr class="memdesc:afec5ccf7a8fb1ba56c8cc852ce858c5e"><td class="mdescLeft"> </td><td class="mdescRight">Calculates the reaction rate for a given temperature using CppAD types. <br /></td></tr>
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<tr class="separator:afec5ccf7a8fb1ba56c8cc852ce858c5e"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:ada6ec1ae05b9a92b58e6a4ecdf5a1656" id="r_ada6ec1ae05b9a92b58e6a4ecdf5a1656"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#ada6ec1ae05b9a92b58e6a4ecdf5a1656">calculate_log_rate_partial_deriv_wrt_T9</a> (double T9, double rho, double Ye, double mue, const fourdst::composition::Composition &comp) const override</td></tr>
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<tr class="memdesc:ada6ec1ae05b9a92b58e6a4ecdf5a1656"><td class="mdescLeft"> </td><td class="mdescRight">Logarithmic partial derivative of the rate with respect to temperature. <br /></td></tr>
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<tr class="separator:ada6ec1ae05b9a92b58e6a4ecdf5a1656"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:af775f97f4d5e144e33bc6e0ba58a5851" id="r_af775f97f4d5e144e33bc6e0ba58a5851"><td class="memItemLeft" align="right" valign="top">virtual std::string_view </td><td class="memItemRight" valign="bottom"><a class="el" href="#af775f97f4d5e144e33bc6e0ba58a5851">peName</a> () const</td></tr>
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<tr class="memdesc:af775f97f4d5e144e33bc6e0ba58a5851"><td class="mdescLeft"> </td><td class="mdescRight">Gets the reaction name in (projectile, ejectile) notation. <br /></td></tr>
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<tr class="separator:af775f97f4d5e144e33bc6e0ba58a5851"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:abe189c43e4d509d9d05dd205861ceddc" id="r_abe189c43e4d509d9d05dd205861ceddc"><td class="memItemLeft" align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="#abe189c43e4d509d9d05dd205861ceddc">chapter</a> () const</td></tr>
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<tr class="memdesc:abe189c43e4d509d9d05dd205861ceddc"><td class="mdescLeft"> </td><td class="mdescRight">Gets the REACLIB chapter number. <br /></td></tr>
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<tr class="separator:abe189c43e4d509d9d05dd205861ceddc"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a96d4ab87de02e9b0be3c248e2e955b4b" id="r_a96d4ab87de02e9b0be3c248e2e955b4b"><td class="memItemLeft" align="right" valign="top">std::string_view </td><td class="memItemRight" valign="bottom"><a class="el" href="#a96d4ab87de02e9b0be3c248e2e955b4b">sourceLabel</a> () const</td></tr>
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<tr class="memdesc:a96d4ab87de02e9b0be3c248e2e955b4b"><td class="mdescLeft"> </td><td class="mdescRight">Gets the source label for the rate data. <br /></td></tr>
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<tr class="separator:a96d4ab87de02e9b0be3c248e2e955b4b"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a3c0fbdd07f9a837bd031c5bdc58e0e8f" id="r_a3c0fbdd07f9a837bd031c5bdc58e0e8f"><td class="memItemLeft" align="right" valign="top"><a class="el" href="namespacegridfire_1_1reaction.html#a026997f11e811fa7754ac9121c4ba74e">ReactionType</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="#a3c0fbdd07f9a837bd031c5bdc58e0e8f">type</a> () const override</td></tr>
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<tr class="memdesc:a3c0fbdd07f9a837bd031c5bdc58e0e8f"><td class="mdescLeft"> </td><td class="mdescRight">Category of this reaction (e.g., REACLIB, WEAK, LOGICAL_REACLIB). <br /></td></tr>
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<tr class="separator:a3c0fbdd07f9a837bd031c5bdc58e0e8f"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:adfed51cf788a7ed4770cbd5945ddab2f" id="r_adfed51cf788a7ed4770cbd5945ddab2f"><td class="memItemLeft" align="right" valign="top">const <a class="el" href="structgridfire_1_1reaction_1_1_rate_coefficient_set.html">RateCoefficientSet</a> & </td><td class="memItemRight" valign="bottom"><a class="el" href="#adfed51cf788a7ed4770cbd5945ddab2f">rateCoefficients</a> () const</td></tr>
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<tr class="memdesc:adfed51cf788a7ed4770cbd5945ddab2f"><td class="mdescLeft"> </td><td class="mdescRight">Gets the set of rate coefficients. <br /></td></tr>
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<tr class="separator:adfed51cf788a7ed4770cbd5945ddab2f"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a171b690e1abaf23f11a94c39e9f8c944" id="r_a171b690e1abaf23f11a94c39e9f8c944"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#a171b690e1abaf23f11a94c39e9f8c944">contains</a> (const fourdst::atomic::Species &species) const override</td></tr>
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<tr class="memdesc:a171b690e1abaf23f11a94c39e9f8c944"><td class="mdescLeft"> </td><td class="mdescRight">Checks if the reaction involves a given species as a reactant or product. <br /></td></tr>
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<tr class="separator:a171b690e1abaf23f11a94c39e9f8c944"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a65a12e5f6180873866cfaaf130fd1156" id="r_a65a12e5f6180873866cfaaf130fd1156"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#a65a12e5f6180873866cfaaf130fd1156">contains_reactant</a> (const fourdst::atomic::Species &species) const override</td></tr>
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<tr class="memdesc:a65a12e5f6180873866cfaaf130fd1156"><td class="mdescLeft"> </td><td class="mdescRight">Checks if the reaction involves a given species as a reactant. <br /></td></tr>
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<tr class="separator:a65a12e5f6180873866cfaaf130fd1156"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a4e4811436d09afaa4a14c51d9af71f88" id="r_a4e4811436d09afaa4a14c51d9af71f88"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#a4e4811436d09afaa4a14c51d9af71f88">contains_product</a> (const fourdst::atomic::Species &species) const override</td></tr>
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<tr class="memdesc:a4e4811436d09afaa4a14c51d9af71f88"><td class="mdescLeft"> </td><td class="mdescRight">Checks if the reaction involves a given species as a product. <br /></td></tr>
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<tr class="separator:a4e4811436d09afaa4a14c51d9af71f88"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a445777acbbee2032d83a256181a90e3c" id="r_a445777acbbee2032d83a256181a90e3c"><td class="memItemLeft" align="right" valign="top">std::unordered_set< fourdst::atomic::Species > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a445777acbbee2032d83a256181a90e3c">all_species</a> () const override</td></tr>
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<tr class="memdesc:a445777acbbee2032d83a256181a90e3c"><td class="mdescLeft"> </td><td class="mdescRight">Gets a set of all unique species involved in the reaction. <br /></td></tr>
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<tr class="separator:a445777acbbee2032d83a256181a90e3c"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:ad85ca288289b25d482cbb8e3ff270028" id="r_ad85ca288289b25d482cbb8e3ff270028"><td class="memItemLeft" align="right" valign="top">std::unordered_set< fourdst::atomic::Species > </td><td class="memItemRight" valign="bottom"><a class="el" href="#ad85ca288289b25d482cbb8e3ff270028">reactant_species</a> () const override</td></tr>
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<tr class="memdesc:ad85ca288289b25d482cbb8e3ff270028"><td class="mdescLeft"> </td><td class="mdescRight">Gets a set of all unique reactant species. <br /></td></tr>
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<tr class="separator:ad85ca288289b25d482cbb8e3ff270028"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a67c8fa4d5929c7a8cbca9b3d9dd2b704" id="r_a67c8fa4d5929c7a8cbca9b3d9dd2b704"><td class="memItemLeft" align="right" valign="top">std::unordered_set< fourdst::atomic::Species > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a67c8fa4d5929c7a8cbca9b3d9dd2b704">product_species</a> () const override</td></tr>
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<tr class="memdesc:a67c8fa4d5929c7a8cbca9b3d9dd2b704"><td class="mdescLeft"> </td><td class="mdescRight">Gets a set of all unique product species. <br /></td></tr>
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<tr class="memitem:a9205126955ad38f56e8aca3112bc150a" id="r_a9205126955ad38f56e8aca3112bc150a"><td class="memItemLeft" align="right" valign="top">size_t </td><td class="memItemRight" valign="bottom"><a class="el" href="#a9205126955ad38f56e8aca3112bc150a">num_species</a> () const override</td></tr>
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<tr class="memdesc:a9205126955ad38f56e8aca3112bc150a"><td class="mdescLeft"> </td><td class="mdescRight">Gets the number of unique species involved in the reaction. <br /></td></tr>
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<tr class="memitem:a57b2695d152360a6ba08776cc760e3a1" id="r_a57b2695d152360a6ba08776cc760e3a1"><td class="memItemLeft" align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="#a57b2695d152360a6ba08776cc760e3a1">stoichiometry</a> (const fourdst::atomic::Species &species) const override</td></tr>
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<tr class="memdesc:a57b2695d152360a6ba08776cc760e3a1"><td class="mdescLeft"> </td><td class="mdescRight">Calculates the stoichiometric coefficient for a given species. <br /></td></tr>
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<tr class="memitem:a0f629cbfe95dc5643b5e3724be0db2f9" id="r_a0f629cbfe95dc5643b5e3724be0db2f9"><td class="memItemLeft" align="right" valign="top">std::unordered_map< fourdst::atomic::Species, int > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a0f629cbfe95dc5643b5e3724be0db2f9">stoichiometry</a> () const override</td></tr>
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<tr class="memdesc:a0f629cbfe95dc5643b5e3724be0db2f9"><td class="mdescLeft"> </td><td class="mdescRight">Gets a map of all species to their stoichiometric coefficients. <br /></td></tr>
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<tr class="separator:a0f629cbfe95dc5643b5e3724be0db2f9"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a06312f834439ccf93012dea53cab47ce" id="r_a06312f834439ccf93012dea53cab47ce"><td class="memItemLeft" align="right" valign="top">std::string_view </td><td class="memItemRight" valign="bottom"><a class="el" href="#a06312f834439ccf93012dea53cab47ce">id</a> () const override</td></tr>
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<tr class="memdesc:a06312f834439ccf93012dea53cab47ce"><td class="mdescLeft"> </td><td class="mdescRight">Gets the unique identifier of the reaction. <br /></td></tr>
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<tr class="separator:a06312f834439ccf93012dea53cab47ce"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:ae47931948f12816eb890c0db4fff4d68" id="r_ae47931948f12816eb890c0db4fff4d68"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#ae47931948f12816eb890c0db4fff4d68">qValue</a> () const override</td></tr>
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<tr class="memdesc:ae47931948f12816eb890c0db4fff4d68"><td class="mdescLeft"> </td><td class="mdescRight">Gets the Q-value of the reaction. <br /></td></tr>
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<tr class="separator:ae47931948f12816eb890c0db4fff4d68"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:ad095aba46860fec0e68386bf04f7f142" id="r_ad095aba46860fec0e68386bf04f7f142"><td class="memItemLeft" align="right" valign="top">const std::vector< fourdst::atomic::Species > & </td><td class="memItemRight" valign="bottom"><a class="el" href="#ad095aba46860fec0e68386bf04f7f142">reactants</a> () const override</td></tr>
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<tr class="memdesc:ad095aba46860fec0e68386bf04f7f142"><td class="mdescLeft"> </td><td class="mdescRight">Gets the vector of reactant species. <br /></td></tr>
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<tr class="separator:ad095aba46860fec0e68386bf04f7f142"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a5f563b99bb550d5bafa2a989502de019" id="r_a5f563b99bb550d5bafa2a989502de019"><td class="memItemLeft" align="right" valign="top">const std::vector< fourdst::atomic::Species > & </td><td class="memItemRight" valign="bottom"><a class="el" href="#a5f563b99bb550d5bafa2a989502de019">products</a> () const override</td></tr>
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<tr class="memdesc:a5f563b99bb550d5bafa2a989502de019"><td class="mdescLeft"> </td><td class="mdescRight">Gets the vector of product species. <br /></td></tr>
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<tr class="separator:a5f563b99bb550d5bafa2a989502de019"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a181b2c75af1f2701c43594c5bb2bac2d" id="r_a181b2c75af1f2701c43594c5bb2bac2d"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#a181b2c75af1f2701c43594c5bb2bac2d">is_reverse</a> () const override</td></tr>
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<tr class="memdesc:a181b2c75af1f2701c43594c5bb2bac2d"><td class="mdescLeft"> </td><td class="mdescRight">Checks if this is a reverse reaction rate. <br /></td></tr>
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<tr class="separator:a181b2c75af1f2701c43594c5bb2bac2d"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a0b30c49925823c87980b4fca17c8282e" id="r_a0b30c49925823c87980b4fca17c8282e"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#a0b30c49925823c87980b4fca17c8282e">excess_energy</a> () const</td></tr>
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<tr class="memdesc:a0b30c49925823c87980b4fca17c8282e"><td class="mdescLeft"> </td><td class="mdescRight">Calculates the excess energy from the mass difference of reactants and products. <br /></td></tr>
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<tr class="separator:a0b30c49925823c87980b4fca17c8282e"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:ae7c930525db447e39b4de18fbc1251a8" id="r_ae7c930525db447e39b4de18fbc1251a8"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#ae7c930525db447e39b4de18fbc1251a8">operator==</a> (const <a class="el" href="classgridfire_1_1reaction_1_1_reaclib_reaction.html">ReaclibReaction</a> &other) const</td></tr>
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<tr class="memdesc:ae7c930525db447e39b4de18fbc1251a8"><td class="mdescLeft"> </td><td class="mdescRight">Compares this reaction with another for equality based on their IDs. <br /></td></tr>
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<tr class="separator:ae7c930525db447e39b4de18fbc1251a8"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a8b6008e0f629329bfc62256f4f081b77" id="r_a8b6008e0f629329bfc62256f4f081b77"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#a8b6008e0f629329bfc62256f4f081b77">operator!=</a> (const <a class="el" href="classgridfire_1_1reaction_1_1_reaclib_reaction.html">ReaclibReaction</a> &other) const</td></tr>
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<tr class="memdesc:a8b6008e0f629329bfc62256f4f081b77"><td class="mdescLeft"> </td><td class="mdescRight">Compares this reaction with another for inequality. <br /></td></tr>
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<tr class="separator:a8b6008e0f629329bfc62256f4f081b77"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a661dd461e51c37133f7f9931389fd3cc" id="r_a661dd461e51c37133f7f9931389fd3cc"><td class="memItemLeft" align="right" valign="top">uint64_t </td><td class="memItemRight" valign="bottom"><a class="el" href="#a661dd461e51c37133f7f9931389fd3cc">hash</a> (uint64_t seed) const override</td></tr>
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<tr class="memdesc:a661dd461e51c37133f7f9931389fd3cc"><td class="mdescLeft"> </td><td class="mdescRight">Computes a hash for the reaction based on its ID. <br /></td></tr>
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<tr class="separator:a661dd461e51c37133f7f9931389fd3cc"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a54fde02e7010e806136f976ab64b1740" id="r_a54fde02e7010e806136f976ab64b1740"><td class="memItemLeft" align="right" valign="top">std::unique_ptr< <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html">Reaction</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a54fde02e7010e806136f976ab64b1740">clone</a> () const override</td></tr>
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<tr class="memdesc:a54fde02e7010e806136f976ab64b1740"><td class="mdescLeft"> </td><td class="mdescRight">Polymorphic deep copy. <br /></td></tr>
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<tr class="separator:a54fde02e7010e806136f976ab64b1740"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="inherit_header pub_methods_classgridfire_1_1reaction_1_1_reaction"><td colspan="2" onclick="javascript:dynsection.toggleInherit('pub_methods_classgridfire_1_1reaction_1_1_reaction')"><img src="closed.png" alt="-"/> Public Member Functions inherited from <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html">gridfire::reaction::Reaction</a></td></tr>
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<tr class="memitem:ab1860df84843be70f97469761e11ab6a inherit pub_methods_classgridfire_1_1reaction_1_1_reaction" id="r_ab1860df84843be70f97469761e11ab6a"><td class="memItemLeft" align="right" valign="top">virtual </td><td class="memItemRight" valign="bottom"><a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#ab1860df84843be70f97469761e11ab6a">~Reaction</a> ()=default</td></tr>
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<tr class="memdesc:ab1860df84843be70f97469761e11ab6a inherit pub_methods_classgridfire_1_1reaction_1_1_reaction"><td class="mdescLeft"> </td><td class="mdescRight">Virtual destructor for correct polymorphic cleanup. <br /></td></tr>
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<tr class="separator:ab1860df84843be70f97469761e11ab6a inherit pub_methods_classgridfire_1_1reaction_1_1_reaction"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:ae66b446c98add7e00a1d960f4e7c60dd inherit pub_methods_classgridfire_1_1reaction_1_1_reaction" id="r_ae66b446c98add7e00a1d960f4e7c60dd"><td class="memItemLeft" align="right" valign="top">virtual double </td><td class="memItemRight" valign="bottom"><a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#ae66b446c98add7e00a1d960f4e7c60dd">calculate_energy_generation_rate</a> (const double T9, const double rho, const double Ye, double mue, const std::vector< double > &Y, const std::unordered_map< size_t, fourdst::atomic::Species > &index_to_species_map) const</td></tr>
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<tr class="memdesc:ae66b446c98add7e00a1d960f4e7c60dd inherit pub_methods_classgridfire_1_1reaction_1_1_reaction"><td class="mdescLeft"> </td><td class="mdescRight">Convenience: energy generation rate from this reaction (double version). <br /></td></tr>
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<tr class="separator:ae66b446c98add7e00a1d960f4e7c60dd inherit pub_methods_classgridfire_1_1reaction_1_1_reaction"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a4282f85c34d6db1994c07e7a40f66d80 inherit pub_methods_classgridfire_1_1reaction_1_1_reaction" id="r_a4282f85c34d6db1994c07e7a40f66d80"><td class="memItemLeft" align="right" valign="top">virtual CppAD::AD< double > </td><td class="memItemRight" valign="bottom"><a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#a4282f85c34d6db1994c07e7a40f66d80">calculate_energy_generation_rate</a> (const CppAD::AD< double > &T9, const CppAD::AD< double > &rho, const CppAD::AD< double > &Ye, const CppAD::AD< double > &mue, const std::vector< CppAD::AD< double > > &Y, const std::unordered_map< size_t, fourdst::atomic::Species > &index_to_species_map) const</td></tr>
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<tr class="memdesc:a4282f85c34d6db1994c07e7a40f66d80 inherit pub_methods_classgridfire_1_1reaction_1_1_reaction"><td class="mdescLeft"> </td><td class="mdescRight">Convenience: AD-enabled energy generation rate (AD version). <br /></td></tr>
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<tr class="separator:a4282f85c34d6db1994c07e7a40f66d80 inherit pub_methods_classgridfire_1_1reaction_1_1_reaction"><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="pro-attribs" name="pro-attribs"></a>
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Protected Attributes</h2></td></tr>
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<tr class="memitem:abab0ed78925789856ebb119d60c6a53d" id="r_abab0ed78925789856ebb119d60c6a53d"><td class="memItemLeft" align="right" valign="top">quill::Logger * </td><td class="memItemRight" valign="bottom"><a class="el" href="#abab0ed78925789856ebb119d60c6a53d">m_logger</a> = fourdst::logging::LogManager::getInstance().getLogger("log")</td></tr>
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<tr class="separator:abab0ed78925789856ebb119d60c6a53d"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a8ca86e0f8f95ffb6d87ca295e44f14c5" id="r_a8ca86e0f8f95ffb6d87ca295e44f14c5"><td class="memItemLeft" align="right" valign="top">std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="#a8ca86e0f8f95ffb6d87ca295e44f14c5">m_id</a></td></tr>
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<tr class="memdesc:a8ca86e0f8f95ffb6d87ca295e44f14c5"><td class="mdescLeft"> </td><td class="mdescRight">Unique identifier for the reaction (e.g., "h1+h1=>h2+e+nu"). <br /></td></tr>
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<tr class="separator:a8ca86e0f8f95ffb6d87ca295e44f14c5"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a51f658789f34f96e0e6bd42cef5cbfe4" id="r_a51f658789f34f96e0e6bd42cef5cbfe4"><td class="memItemLeft" align="right" valign="top">std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="#a51f658789f34f96e0e6bd42cef5cbfe4">m_peName</a></td></tr>
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<tr class="memdesc:a51f658789f34f96e0e6bd42cef5cbfe4"><td class="mdescLeft"> </td><td class="mdescRight">Name of the reaction in (projectile, ejectile) notation (e.g. "p(p,g)d"). <br /></td></tr>
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<tr class="separator:a51f658789f34f96e0e6bd42cef5cbfe4"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:adbcb383bac0f47c66251ee1b7c5f539d" id="r_adbcb383bac0f47c66251ee1b7c5f539d"><td class="memItemLeft" align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="#adbcb383bac0f47c66251ee1b7c5f539d">m_chapter</a></td></tr>
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<tr class="memdesc:adbcb383bac0f47c66251ee1b7c5f539d"><td class="mdescLeft"> </td><td class="mdescRight">Chapter number from the REACLIB database, defining the reaction structure. <br /></td></tr>
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<tr class="separator:adbcb383bac0f47c66251ee1b7c5f539d"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a498c202a259cbc315997ec68a2cb8a59" id="r_a498c202a259cbc315997ec68a2cb8a59"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="#a498c202a259cbc315997ec68a2cb8a59">m_qValue</a> = 0.0</td></tr>
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<tr class="memdesc:a498c202a259cbc315997ec68a2cb8a59"><td class="mdescLeft"> </td><td class="mdescRight">Q-value of the reaction in MeV. <br /></td></tr>
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<tr class="separator:a498c202a259cbc315997ec68a2cb8a59"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a7cf403bc519ce39a1af886432a653826" id="r_a7cf403bc519ce39a1af886432a653826"><td class="memItemLeft" align="right" valign="top">std::vector< fourdst::atomic::Species > </td><td class="memItemRight" valign="bottom"><a class="el" href="#a7cf403bc519ce39a1af886432a653826">m_reactants</a></td></tr>
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<tr class="memdesc:a7cf403bc519ce39a1af886432a653826"><td class="mdescLeft"> </td><td class="mdescRight">Reactants of the reaction. <br /></td></tr>
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<tr class="memitem:ac350a26bdf19d7c1d20db55a226e6063" id="r_ac350a26bdf19d7c1d20db55a226e6063"><td class="memItemLeft" align="right" valign="top">std::vector< fourdst::atomic::Species > </td><td class="memItemRight" valign="bottom"><a class="el" href="#ac350a26bdf19d7c1d20db55a226e6063">m_products</a></td></tr>
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<tr class="memdesc:ac350a26bdf19d7c1d20db55a226e6063"><td class="mdescLeft"> </td><td class="mdescRight">Products of the reaction. <br /></td></tr>
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<tr class="memitem:a7e79437a68947e176b8dd7dcbe27baab" id="r_a7e79437a68947e176b8dd7dcbe27baab"><td class="memItemLeft" align="right" valign="top">std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="#a7e79437a68947e176b8dd7dcbe27baab">m_sourceLabel</a></td></tr>
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<tr class="memdesc:a7e79437a68947e176b8dd7dcbe27baab"><td class="mdescLeft"> </td><td class="mdescRight">Source label for the rate data (e.g., "wc12w", "st08"). <br /></td></tr>
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<tr class="separator:a7e79437a68947e176b8dd7dcbe27baab"><td class="memSeparator" colspan="2"> </td></tr>
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<tr class="memitem:a8ea3de0412395b7b617c4b71cbc2ab68" id="r_a8ea3de0412395b7b617c4b71cbc2ab68"><td class="memItemLeft" align="right" valign="top"><a class="el" href="structgridfire_1_1reaction_1_1_rate_coefficient_set.html">RateCoefficientSet</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="#a8ea3de0412395b7b617c4b71cbc2ab68">m_rateCoefficients</a></td></tr>
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<tr class="memdesc:a8ea3de0412395b7b617c4b71cbc2ab68"><td class="mdescLeft"> </td><td class="mdescRight">The seven rate coefficients. <br /></td></tr>
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<tr class="memitem:af52b42d940f6a09dba5d28898d2b0b1f" id="r_af52b42d940f6a09dba5d28898d2b0b1f"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="#af52b42d940f6a09dba5d28898d2b0b1f">m_reverse</a> = false</td></tr>
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<tr class="memdesc:af52b42d940f6a09dba5d28898d2b0b1f"><td class="mdescLeft"> </td><td class="mdescRight">Flag indicating if this is a reverse reaction rate. <br /></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:aeb177f9cf69e4f97c4518a27e6480523" id="r_aeb177f9cf69e4f97c4518a27e6480523"><td class="memTemplParams" colspan="2">template<typename T> </td></tr>
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<tr class="memitem:aeb177f9cf69e4f97c4518a27e6480523"><td class="memTemplItemLeft" align="right" valign="top">T </td><td class="memTemplItemRight" valign="bottom"><a class="el" href="#aeb177f9cf69e4f97c4518a27e6480523">calculate_rate</a> (const T T9) const</td></tr>
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<tr class="memdesc:aeb177f9cf69e4f97c4518a27e6480523"><td class="mdescLeft"> </td><td class="mdescRight">Template implementation for calculating the reaction rate. <br /></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:ae24ad1e38daab536aec6ac72c67e8615" id="r_ae24ad1e38daab536aec6ac72c67e8615"><td class="memItemLeft" align="right" valign="top">std::ostream & </td><td class="memItemRight" valign="bottom"><a class="el" href="#ae24ad1e38daab536aec6ac72c67e8615">operator<<</a> (std::ostream &os, const <a class="el" href="classgridfire_1_1reaction_1_1_reaclib_reaction.html">ReaclibReaction</a> &r)</td></tr>
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</table>
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<h2 class="groupheader">Constructor & Destructor Documentation</h2>
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<a id="ae2b9b41a598c5f0dcd050b32985ea44e" name="ae2b9b41a598c5f0dcd050b32985ea44e"></a>
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<h2 class="memtitle"><span class="permalink"><a href="#ae2b9b41a598c5f0dcd050b32985ea44e">◆ </a></span>~ReaclibReaction()</h2>
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<td class="memname">gridfire::reaction::ReaclibReaction::~ReaclibReaction </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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<span class="mlabels"><span class="mlabel override">override</span><span class="mlabel default">default</span></span> </td>
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<h2 class="memtitle"><span class="permalink"><a href="#a264112a230817a6080c770686e5bcc01">◆ </a></span>ReaclibReaction()</h2>
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<td class="memname">gridfire::reaction::ReaclibReaction::ReaclibReaction </td>
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<td>(</td>
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<td class="paramtype">std::string_view</td> <td class="paramname"><span class="paramname"><em>id</em></span>, </td>
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<td class="paramtype">std::string_view</td> <td class="paramname"><span class="paramname"><em>peName</em></span>, </td>
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<td class="paramtype">int</td> <td class="paramname"><span class="paramname"><em>chapter</em></span>, </td>
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<td class="paramtype">const std::vector< fourdst::atomic::Species > &</td> <td class="paramname"><span class="paramname"><em>reactants</em></span>, </td>
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<td class="paramtype">const std::vector< fourdst::atomic::Species > &</td> <td class="paramname"><span class="paramname"><em>products</em></span>, </td>
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<td class="paramtype">double</td> <td class="paramname"><span class="paramname"><em>qValue</em></span>, </td>
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<td class="paramtype">std::string_view</td> <td class="paramname"><span class="paramname"><em>label</em></span>, </td>
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<td class="paramkey"></td>
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<td class="paramtype">const <a class="el" href="structgridfire_1_1reaction_1_1_rate_coefficient_set.html">RateCoefficientSet</a> &</td> <td class="paramname"><span class="paramname"><em>sets</em></span>, </td>
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<td class="paramtype">bool</td> <td class="paramname"><span class="paramname"><em>reverse</em></span><span class="paramdefsep"> = </span><span class="paramdefval">false</span> )</td>
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<p>Constructs a <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html" title="Represents a single nuclear reaction from a specific data source.">Reaction</a> object. </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">id</td><td>A unique identifier for the reaction. </td></tr>
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<tr><td class="paramname">peName</td><td>The name in (projectile, ejectile) notation (e.g., "p(p,g)d"). </td></tr>
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<tr><td class="paramname">chapter</td><td>The REACLIB chapter number, defining reaction structure. </td></tr>
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<tr><td class="paramname">reactants</td><td>A vector of reactant species. </td></tr>
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<tr><td class="paramname">products</td><td>A vector of product species. </td></tr>
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<tr><td class="paramname">qValue</td><td>The Q-value of the reaction in MeV. </td></tr>
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<tr><td class="paramname">label</td><td>The source label for the rate data (e.g., "wc12", "st08"). </td></tr>
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<tr><td class="paramname">sets</td><td>The set of rate coefficients. </td></tr>
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<tr><td class="paramname">reverse</td><td>True if this is a reverse reaction rate. </td></tr>
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</table>
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</dd>
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</dl>
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<h2 class="groupheader">Member Function Documentation</h2>
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<h2 class="memtitle"><span class="permalink"><a href="#a445777acbbee2032d83a256181a90e3c">◆ </a></span>all_species()</h2>
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<td class="memname">std::unordered_set< Species > gridfire::reaction::ReaclibReaction::all_species </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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<td> const</td>
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<span class="mlabels"><span class="mlabel nodiscard">nodiscard</span><span class="mlabel override">override</span><span class="mlabel virtual">virtual</span></span> </td>
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<p>Gets a set of all unique species involved in the reaction. </p>
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<dl class="section return"><dt>Returns</dt><dd>An unordered_set of all reactant and product species. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#aa13cd9097229fcc99128d9286b8f17e6">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#ada6ec1ae05b9a92b58e6a4ecdf5a1656">◆ </a></span>calculate_log_rate_partial_deriv_wrt_T9()</h2>
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<td class="memname">double gridfire::reaction::ReaclibReaction::calculate_log_rate_partial_deriv_wrt_T9 </td>
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<td>(</td>
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<td class="paramtype">double</td> <td class="paramname"><span class="paramname"><em>T9</em></span>, </td>
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<td class="paramtype">double</td> <td class="paramname"><span class="paramname"><em>rho</em></span>, </td>
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<td class="paramtype">double</td> <td class="paramname"><span class="paramname"><em>Ye</em></span>, </td>
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<td class="paramtype">double</td> <td class="paramname"><span class="paramname"><em>mue</em></span>, </td>
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<td class="paramtype">const fourdst::composition::Composition &</td> <td class="paramname"><span class="paramname"><em>comp</em></span> ) const</td>
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<span class="mlabels"><span class="mlabel nodiscard">nodiscard</span><span class="mlabel override">override</span><span class="mlabel virtual">virtual</span></span> </td>
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<p>Logarithmic partial derivative of the rate with respect to temperature. </p>
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<p>Implementations return d(ln rate)/d(ln T9) or an equivalent measure (as documented by the concrete class), evaluated at the provided state.</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">T9</td><td>Temperature in GK (10^9 K). </td></tr>
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<tr><td class="paramname">rho</td><td>Mass density (g cm^-3). </td></tr>
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<tr><td class="paramname">Ye</td><td>Electron fraction. </td></tr>
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<tr><td class="paramname">mue</td><td>Electron chemical potential. </td></tr>
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<tr><td class="paramname">comp</td><td>Composition object providing composition in a convenient form. </td></tr>
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</dd>
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</dl>
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<dl class="section return"><dt>Returns</dt><dd>The logarithmic temperature derivative of the rate. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#aa2b615e764bb005e526ca9327319c735">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#aeb177f9cf69e4f97c4518a27e6480523">◆ </a></span>calculate_rate() <span class="overload">[1/3]</span></h2>
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template<typename T> </div>
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<td class="memname">T gridfire::reaction::ReaclibReaction::calculate_rate </td>
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<td>(</td>
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<td class="paramtype">const T</td> <td class="paramname"><span class="paramname"><em>T9</em></span></td><td>)</td>
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<td> const</td>
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<span class="mlabels"><span class="mlabel inline">inline</span><span class="mlabel nodiscard">nodiscard</span><span class="mlabel private">private</span></span> </td>
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<p>Template implementation for calculating the reaction rate. </p>
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<dl class="tparams"><dt>Template Parameters</dt><dd>
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<table class="tparams">
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<tr><td class="paramname">T</td><td>The numeric type (double or CppAD::AD<double>). </td></tr>
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</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">T9</td><td>The temperature in units of 10^9 K. </td></tr>
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</dl>
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<dl class="section return"><dt>Returns</dt><dd>The calculated reaction rate.</dd></dl>
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<p>The rate is calculated using the standard REACLIB formula: <code>rate = exp(a0 + a1/T9 + a2/T9^(1/3) + a3*T9^(1/3) + a4*T9 + a5*T9^(5/3) + a6*ln(T9))</code> </p>
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<h2 class="memtitle"><span class="permalink"><a href="#afec5ccf7a8fb1ba56c8cc852ce858c5e">◆ </a></span>calculate_rate() <span class="overload">[2/3]</span></h2>
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<td class="memname">CppAD::AD< double > gridfire::reaction::ReaclibReaction::calculate_rate </td>
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<td>(</td>
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<td class="paramtype">CppAD::AD< double ></td> <td class="paramname"><span class="paramname"><em>T9</em></span>, </td>
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<td class="paramtype">CppAD::AD< double ></td> <td class="paramname"><span class="paramname"><em>rho</em></span>, </td>
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<td class="paramtype">CppAD::AD< double ></td> <td class="paramname"><span class="paramname"><em>Ye</em></span>, </td>
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<td class="paramtype">CppAD::AD< double ></td> <td class="paramname"><span class="paramname"><em>mue</em></span>, </td>
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<td class="paramtype">const std::vector< CppAD::AD< double > > &</td> <td class="paramname"><span class="paramname"><em>Y</em></span>, </td>
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<td class="paramtype">const std::unordered_map< size_t, fourdst::atomic::Species > &</td> <td class="paramname"><span class="paramname"><em>index_to_species_map</em></span> ) const</td>
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<p>Calculates the reaction rate for a given temperature using CppAD types. </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">T9</td><td>The temperature in units of 10^9 K, as a CppAD::AD<double>. </td></tr>
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<tr><td class="paramname">rho</td><td>Density, as a CppAD::AD<double> [Not used in this implementation]. </td></tr>
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<tr><td class="paramname">Ye</td><td></td></tr>
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<tr><td class="paramname">mue</td><td></td></tr>
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<tr><td class="paramname">Y</td><td>Molar abundances of species, as a vector of CppAD::AD<double> [Not used in this implementation]. </td></tr>
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<tr><td class="paramname">index_to_species_map</td><td></td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The calculated reaction rate, as a CppAD::AD<double>. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#af8303d67df61fc9e31ce054f0e8a3e14">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#acd16b1daf13456b3523362a37b1bf9b0">◆ </a></span>calculate_rate() <span class="overload">[3/3]</span></h2>
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<td>(</td>
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<td class="paramtype">const std::vector< double > &</td> <td class="paramname"><span class="paramname"><em>Y</em></span>, </td>
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<p>Calculates the reaction rate for a given temperature. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">T9</td><td>The temperature in units of 10^9 K. </td></tr>
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<tr><td class="paramname">rho</td><td>Density [Not used in this implementation]. </td></tr>
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<tr><td class="paramname">Ye</td><td></td></tr>
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<tr><td class="paramname">mue</td><td></td></tr>
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<tr><td class="paramname">Y</td><td></td></tr>
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<tr><td class="paramname">index_to_species_map</td><td></td></tr>
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<dl class="section return"><dt>Returns</dt><dd>The calculated reaction rate. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#a83c121480533593adfd68c4a67a649f1">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#abe189c43e4d509d9d05dd205861ceddc">◆ </a></span>chapter()</h2>
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<td class="memname">int gridfire::reaction::ReaclibReaction::chapter </td>
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<p>Gets the REACLIB chapter number. </p>
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<dl class="section return"><dt>Returns</dt><dd>The chapter number. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a54fde02e7010e806136f976ab64b1740">◆ </a></span>clone()</h2>
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<td class="memname">std::unique_ptr< <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html">Reaction</a> > gridfire::reaction::ReaclibReaction::clone </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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<td> const</td>
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<span class="mlabels"><span class="mlabel nodiscard">nodiscard</span><span class="mlabel override">override</span><span class="mlabel virtual">virtual</span></span> </td>
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<p>Polymorphic deep copy. </p>
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<dl class="section return"><dt>Returns</dt><dd>A std::unique_ptr owning a new <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html" title="Represents a single nuclear reaction from a specific data source.">Reaction</a> equal to this one. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#ab95ce7fb022a9432bdc77f14679221ee">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a171b690e1abaf23f11a94c39e9f8c944">◆ </a></span>contains()</h2>
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<td class="memname">bool gridfire::reaction::ReaclibReaction::contains </td>
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<td>(</td>
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<td class="paramtype">const fourdst::atomic::Species &</td> <td class="paramname"><span class="paramname"><em>species</em></span></td><td>)</td>
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<p>Checks if the reaction involves a given species as a reactant or product. </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 check for. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>True if the species is involved, false otherwise. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#a768db057d358240d4825c21869af0792">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a4e4811436d09afaa4a14c51d9af71f88">◆ </a></span>contains_product()</h2>
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<td class="memname">bool gridfire::reaction::ReaclibReaction::contains_product </td>
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<td>(</td>
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<td class="paramtype">const fourdst::atomic::Species &</td> <td class="paramname"><span class="paramname"><em>species</em></span></td><td>)</td>
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<span class="mlabels"><span class="mlabel nodiscard">nodiscard</span><span class="mlabel override">override</span><span class="mlabel virtual">virtual</span></span> </td>
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<p>Checks if the reaction involves a given species as a product. </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 check for. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>True if the species is a product, false otherwise. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#a2708d2e8f42159df6605a5948b13c4c5">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a65a12e5f6180873866cfaaf130fd1156">◆ </a></span>contains_reactant()</h2>
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<td class="memname">bool gridfire::reaction::ReaclibReaction::contains_reactant </td>
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<td>(</td>
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<td class="paramtype">const fourdst::atomic::Species &</td> <td class="paramname"><span class="paramname"><em>species</em></span></td><td>)</td>
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<p>Checks if the reaction involves a given species as a reactant. </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 check for. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>True if the species is a reactant, false otherwise. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#ab28bf4f9417ecabcc8350bae449fedd5">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a0b30c49925823c87980b4fca17c8282e">◆ </a></span>excess_energy()</h2>
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<td>(</td>
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<span class="mlabels"><span class="mlabel nodiscard">nodiscard</span></span> </td>
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<p>Calculates the excess energy from the mass difference of reactants and products. </p>
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<dl class="section return"><dt>Returns</dt><dd>The excess energy in MeV. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#a661dd461e51c37133f7f9931389fd3cc">◆ </a></span>hash()</h2>
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<td class="memname">uint64_t gridfire::reaction::ReaclibReaction::hash </td>
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<td class="paramtype">uint64_t</td> <td class="paramname"><span class="paramname"><em>seed</em></span></td><td>)</td>
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<td> const</td>
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<span class="mlabels"><span class="mlabel nodiscard">nodiscard</span><span class="mlabel override">override</span><span class="mlabel virtual">virtual</span></span> </td>
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<p>Computes a hash for the reaction based on its ID. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">seed</td><td>The seed for the hash function. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>A 64-bit hash value.</dd></dl>
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<p>Uses the XXHash64 algorithm on the reaction's ID string. </p>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#a7ba8c18cd5445aa3499a6fd351183f7a">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a06312f834439ccf93012dea53cab47ce">◆ </a></span>id()</h2>
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<td class="memname">std::string_view gridfire::reaction::ReaclibReaction::id </td>
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<span class="mlabels"><span class="mlabel inline">inline</span><span class="mlabel nodiscard">nodiscard</span><span class="mlabel override">override</span><span class="mlabel virtual">virtual</span></span> </td>
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<p>Gets the unique identifier of the reaction. </p>
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<dl class="section return"><dt>Returns</dt><dd>The reaction ID. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#a94b92308b9619ec20c690e55157786ba">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a181b2c75af1f2701c43594c5bb2bac2d">◆ </a></span>is_reverse()</h2>
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<span class="mlabels"><span class="mlabel inline">inline</span><span class="mlabel nodiscard">nodiscard</span><span class="mlabel override">override</span><span class="mlabel virtual">virtual</span></span> </td>
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<p>Checks if this is a reverse reaction rate. </p>
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<dl class="section return"><dt>Returns</dt><dd>True if it is a reverse rate, false otherwise. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#a3906a668410e02239f9031b5fc580214">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a9205126955ad38f56e8aca3112bc150a">◆ </a></span>num_species()</h2>
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<td class="memname">size_t gridfire::reaction::ReaclibReaction::num_species </td>
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<p>Gets the number of unique species involved in the reaction. </p>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#ae2a1b0395ac127c792a8049cd0bcc249">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a8b6008e0f629329bfc62256f4f081b77">◆ </a></span>operator!=()</h2>
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<p>Compares this reaction with another for inequality. </p>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">other</td><td>The other <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html" title="Represents a single nuclear reaction from a specific data source.">Reaction</a> to compare with. </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>True if the reactions are not equal. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#ae7c930525db447e39b4de18fbc1251a8">◆ </a></span>operator==()</h2>
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<td class="paramtype">const <a class="el" href="classgridfire_1_1reaction_1_1_reaclib_reaction.html">ReaclibReaction</a> &</td> <td class="paramname"><span class="paramname"><em>other</em></span></td><td>)</td>
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<p>Compares this reaction with another for equality based on their IDs. </p>
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<dl class="section return"><dt>Returns</dt><dd>True if the reaction IDs are the same. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#af775f97f4d5e144e33bc6e0ba58a5851">◆ </a></span>peName()</h2>
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<p>Gets the reaction name in (projectile, ejectile) notation. </p>
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<h2 class="memtitle"><span class="permalink"><a href="#a67c8fa4d5929c7a8cbca9b3d9dd2b704">◆ </a></span>product_species()</h2>
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<td class="memname">std::unordered_set< Species > gridfire::reaction::ReaclibReaction::product_species </td>
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<p>Gets a set of all unique product species. </p>
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<dl class="section return"><dt>Returns</dt><dd>An unordered_set of product species. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#a0d16572ae2b664374d32ee6c4e22123a">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a5f563b99bb550d5bafa2a989502de019">◆ </a></span>products()</h2>
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<td class="memname">const std::vector< fourdst::atomic::Species > & gridfire::reaction::ReaclibReaction::products </td>
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<p>Gets the vector of product species. </p>
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<dl class="section return"><dt>Returns</dt><dd>A const reference to the vector of products. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#a3d7451045d8df41ea98b5e419e0e5ab0">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#ae47931948f12816eb890c0db4fff4d68">◆ </a></span>qValue()</h2>
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<p>Gets the Q-value of the reaction. </p>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#a7e06936f9e8bb74e68eaa10e708e5d3c">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#adfed51cf788a7ed4770cbd5945ddab2f">◆ </a></span>rateCoefficients()</h2>
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<td class="memname">const <a class="el" href="structgridfire_1_1reaction_1_1_rate_coefficient_set.html">RateCoefficientSet</a> & gridfire::reaction::ReaclibReaction::rateCoefficients </td>
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<p>Gets the set of rate coefficients. </p>
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<dl class="section return"><dt>Returns</dt><dd>A const reference to the <a class="el" href="structgridfire_1_1reaction_1_1_rate_coefficient_set.html" title="Holds the seven coefficients for the REACLIB rate equation.">RateCoefficientSet</a>. </dd></dl>
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<h2 class="memtitle"><span class="permalink"><a href="#ad85ca288289b25d482cbb8e3ff270028">◆ </a></span>reactant_species()</h2>
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<p>Gets a set of all unique reactant species. </p>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#a82c14096308cdc9126ab6d9667febcd2">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#ad095aba46860fec0e68386bf04f7f142">◆ </a></span>reactants()</h2>
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<p>Gets the vector of reactant species. </p>
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<dl class="section return"><dt>Returns</dt><dd>A const reference to the vector of reactants. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#ac7b08c61cdc97268b9442afec4d08dad">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a96d4ab87de02e9b0be3c248e2e955b4b">◆ </a></span>sourceLabel()</h2>
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<p>Gets the source label for the rate data. </p>
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<h2 class="memtitle"><span class="permalink"><a href="#a0f629cbfe95dc5643b5e3724be0db2f9">◆ </a></span>stoichiometry() <span class="overload">[1/2]</span></h2>
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<td class="memname">std::unordered_map< Species, int > gridfire::reaction::ReaclibReaction::stoichiometry </td>
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<p>Gets a map of all species to their stoichiometric coefficients. </p>
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<dl class="section return"><dt>Returns</dt><dd>An unordered_map from species to their integer coefficients. </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#ad49f4cad024db72c966d949c75f1ce4d">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a57b2695d152360a6ba08776cc760e3a1">◆ </a></span>stoichiometry() <span class="overload">[2/2]</span></h2>
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<td class="memname">int gridfire::reaction::ReaclibReaction::stoichiometry </td>
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<p>Calculates the stoichiometric coefficient for a given species. </p>
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<dl class="section return"><dt>Returns</dt><dd>The stoichiometric coefficient (negative for reactants, positive for products). </dd></dl>
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<p>Implements <a class="el" href="classgridfire_1_1reaction_1_1_reaction.html#ab7888b57507d6d27de6e5fcaea40fff5">gridfire::reaction::Reaction</a>.</p>
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<h2 class="memtitle"><span class="permalink"><a href="#a3c0fbdd07f9a837bd031c5bdc58e0e8f">◆ </a></span>type()</h2>
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<td class="memname"><a class="el" href="namespacegridfire_1_1reaction.html#a026997f11e811fa7754ac9121c4ba74e">ReactionType</a> gridfire::reaction::ReaclibReaction::type </td>
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<p>Category of this reaction (e.g., REACLIB, WEAK, LOGICAL_REACLIB). </p>
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<h2 class="groupheader">Friends And Related Symbol Documentation</h2>
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<h2 class="groupheader">Member Data Documentation</h2>
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<p>Chapter number from the REACLIB database, defining the reaction structure. </p>
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<td class="memname">std::string gridfire::reaction::ReaclibReaction::m_id</td>
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<span class="mlabels"><span class="mlabel protected">protected</span></span> </td>
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<p>Unique identifier for the reaction (e.g., "h1+h1=>h2+e+nu"). </p>
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<h2 class="memtitle"><span class="permalink"><a href="#abab0ed78925789856ebb119d60c6a53d">◆ </a></span>m_logger</h2>
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<td class="memname">quill::Logger* gridfire::reaction::ReaclibReaction::m_logger = fourdst::logging::LogManager::getInstance().getLogger("log")</td>
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<h2 class="memtitle"><span class="permalink"><a href="#a51f658789f34f96e0e6bd42cef5cbfe4">◆ </a></span>m_peName</h2>
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<td class="memname">std::string gridfire::reaction::ReaclibReaction::m_peName</td>
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<p>Name of the reaction in (projectile, ejectile) notation (e.g. "p(p,g)d"). </p>
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<h2 class="memtitle"><span class="permalink"><a href="#ac350a26bdf19d7c1d20db55a226e6063">◆ </a></span>m_products</h2>
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<td class="memname">std::vector<fourdst::atomic::Species> gridfire::reaction::ReaclibReaction::m_products</td>
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<p>Products of the reaction. </p>
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<h2 class="memtitle"><span class="permalink"><a href="#a498c202a259cbc315997ec68a2cb8a59">◆ </a></span>m_qValue</h2>
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<td class="memname">double gridfire::reaction::ReaclibReaction::m_qValue = 0.0</td>
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<p>Q-value of the reaction in MeV. </p>
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<h2 class="memtitle"><span class="permalink"><a href="#a8ea3de0412395b7b617c4b71cbc2ab68">◆ </a></span>m_rateCoefficients</h2>
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<td class="memname"><a class="el" href="structgridfire_1_1reaction_1_1_rate_coefficient_set.html">RateCoefficientSet</a> gridfire::reaction::ReaclibReaction::m_rateCoefficients</td>
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<p>The seven rate coefficients. </p>
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<h2 class="memtitle"><span class="permalink"><a href="#a7cf403bc519ce39a1af886432a653826">◆ </a></span>m_reactants</h2>
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<td class="memname">std::vector<fourdst::atomic::Species> gridfire::reaction::ReaclibReaction::m_reactants</td>
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<p>Reactants of the reaction. </p>
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<h2 class="memtitle"><span class="permalink"><a href="#af52b42d940f6a09dba5d28898d2b0b1f">◆ </a></span>m_reverse</h2>
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<td class="memname">bool gridfire::reaction::ReaclibReaction::m_reverse = false</td>
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<p>Flag indicating if this is a reverse reaction rate. </p>
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<h2 class="memtitle"><span class="permalink"><a href="#a7e79437a68947e176b8dd7dcbe27baab">◆ </a></span>m_sourceLabel</h2>
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<td class="memname">std::string gridfire::reaction::ReaclibReaction::m_sourceLabel</td>
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<p>Source label for the rate data (e.g., "wc12w", "st08"). </p>
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<hr/>The documentation for this class was generated from the following files:<ul>
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<li>src/include/gridfire/reaction/<a class="el" href="reaction_8h.html">reaction.h</a></li>
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<li>src/lib/reaction/<a class="el" href="reaction_8cpp.html">reaction.cpp</a></li>
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</div><!-- contents -->
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<li class="navelem"><a class="el" href="namespacegridfire.html">gridfire</a></li><li class="navelem"><a class="el" href="namespacegridfire_1_1reaction.html">reaction</a></li><li class="navelem"><a class="el" href="classgridfire_1_1reaction_1_1_reaclib_reaction.html">ReaclibReaction</a></li>
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