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2025-07-01 07:24:18 -04:00
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< a href = "reaction_8cpp.html" > Go to the documentation of this file.< / a > < div class = "fragment" > < div class = "line" > < a id = "l00001" name = "l00001" > < / a > < span class = "lineno" > 1< / span > < span class = "preprocessor" > #include " < a class = "code" href = "reaction_8h.html" > gridfire/reaction/reaction.h< / a > " < / span > < / div >
< div class = "line" > < a id = "l00002" name = "l00002" > < / a > < span class = "lineno" > 2< / span > < / div >
< div class = "line" > < a id = "l00003" name = "l00003" > < / a > < span class = "lineno" > 3< / span > < span class = "preprocessor" > #include< string_view> < / span > < / div >
< div class = "line" > < a id = "l00004" name = "l00004" > < / a > < span class = "lineno" > 4< / span > < span class = "preprocessor" > #include< string> < / span > < / div >
< div class = "line" > < a id = "l00005" name = "l00005" > < / a > < span class = "lineno" > 5< / span > < span class = "preprocessor" > #include< vector> < / span > < / div >
< div class = "line" > < a id = "l00006" name = "l00006" > < / a > < span class = "lineno" > 6< / span > < span class = "preprocessor" > #include< unordered_set> < / span > < / div >
< div class = "line" > < a id = "l00007" name = "l00007" > < / a > < span class = "lineno" > 7< / span > < span class = "preprocessor" > #include< algorithm> < / span > < / div >
< div class = "line" > < a id = "l00008" name = "l00008" > < / a > < span class = "lineno" > 8< / span > < span class = "preprocessor" > #include < ranges> < / span > < / div >
< div class = "line" > < a id = "l00009" name = "l00009" > < / a > < span class = "lineno" > 9< / span > < / div >
< div class = "line" > < a id = "l00010" name = "l00010" > < / a > < span class = "lineno" > 10< / span > < span class = "preprocessor" > #include " quill/LogMacros.h" < / span > < / div >
< div class = "line" > < a id = "l00011" name = "l00011" > < / a > < span class = "lineno" > 11< / span > < / div >
< div class = "line" > < a id = "l00012" name = "l00012" > < / a > < span class = "lineno" > 12< / span > < span class = "preprocessor" > #include " fourdst/composition/atomicSpecies.h" < / span > < / div >
< div class = "line" > < a id = "l00013" name = "l00013" > < / a > < span class = "lineno" > 13< / span > < / div >
< div class = "line" > < a id = "l00014" name = "l00014" > < / a > < span class = "lineno" > 14< / span > < span class = "preprocessor" > #include " xxhash64.h" < / span > < / div >
< div class = "line" > < a id = "l00015" name = "l00015" > < / a > < span class = "lineno" > 15< / span > < / div >
< div class = "line" > < a id = "l00016" name = "l00016" > < / a > < span class = "lineno" > 16< / span > < span class = "keyword" > namespace < / span > < a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > gridfire::reaction< / a > {< / div >
< div class = "line" > < a id = "l00017" name = "l00017" > < / a > < span class = "lineno" > 17< / span > < span class = "keyword" > using namespace < / span > fourdst::atomic;< / div >
< div class = "line" > < a id = "l00018" name = "l00018" > < / a > < span class = "lineno" > 18< / span > < / div >
< div class = "foldopen" id = "foldopen00019" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00019" name = "l00019" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#a7dff19d387e771d96c26e98d75ee9d5c" > 19< / a > < / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a7dff19d387e771d96c26e98d75ee9d5c" > Reaction::Reaction< / a > (< / div >
< div class = "line" > < a id = "l00020" name = "l00020" > < / a > < span class = "lineno" > 20< / span > < span class = "keyword" > const< / span > std::string_view < span class = "keywordtype" > id< / span > ,< / div >
< div class = "line" > < a id = "l00021" name = "l00021" > < / a > < span class = "lineno" > 21< / span > < span class = "keyword" > const< / span > std::string_view < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a78f42664cc957e266b6cf15fda09be97" > peName< / a > ,< / div >
< div class = "line" > < a id = "l00022" name = "l00022" > < / a > < span class = "lineno" > 22< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > int< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a5cb438adfefb640e4bc58e09053bd629" > chapter< / a > ,< / div >
< div class = "line" > < a id = "l00023" name = "l00023" > < / a > < span class = "lineno" > 23< / span > < span class = "keyword" > const< / span > std::vector< Species> & < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > ,< / div >
< div class = "line" > < a id = "l00024" name = "l00024" > < / a > < span class = "lineno" > 24< / span > < span class = "keyword" > const< / span > std::vector< Species> & < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a6e2ff61b9e8409f2a561663628b8ce02" > products< / a > ,< / div >
< div class = "line" > < a id = "l00025" name = "l00025" > < / a > < span class = "lineno" > 25< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#abda0b4e4313e6d4ba57acf37d5976fb8" > qValue< / a > ,< / div >
< div class = "line" > < a id = "l00026" name = "l00026" > < / a > < span class = "lineno" > 26< / span > < span class = "keyword" > const< / span > std::string_view label,< / div >
< div class = "line" > < a id = "l00027" name = "l00027" > < / a > < span class = "lineno" > 27< / span > < span class = "keyword" > const< / span > < a class = "code hl_struct" href = "structgridfire_1_1reaction_1_1_rate_coefficient_set.html" > RateCoefficientSet< / a > & sets,< / div >
< div class = "line" > < a id = "l00028" name = "l00028" > < / a > < span class = "lineno" > 28< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > bool< / span > reverse) :< / div >
< div class = "line" > < a id = "l00029" name = "l00029" > < / a > < span class = "lineno" > 29< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b" > m_id< / a > (< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a084c38181408ed5e6fa2a2dd4d0ec905" > id< / a > ),< / div >
< div class = "line" > < a id = "l00030" name = "l00030" > < / a > < span class = "lineno" > 30< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a6124aa9fc2306349e1dd879a37923248" > m_peName< / a > (< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a78f42664cc957e266b6cf15fda09be97" > peName< / a > ),< / div >
< div class = "line" > < a id = "l00031" name = "l00031" > < / a > < span class = "lineno" > 31< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a16f9cbb6269817099d3dc07d4e63da7b" > m_chapter< / a > (< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a5cb438adfefb640e4bc58e09053bd629" > chapter< / a > ),< / div >
< div class = "line" > < a id = "l00032" name = "l00032" > < / a > < span class = "lineno" > 32< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b" > m_qValue< / a > (< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#abda0b4e4313e6d4ba57acf37d5976fb8" > qValue< / a > ),< / div >
< div class = "line" > < a id = "l00033" name = "l00033" > < / a > < span class = "lineno" > 33< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11" > m_reactants< / a > (< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > ),< / div >
< div class = "line" > < a id = "l00034" name = "l00034" > < / a > < span class = "lineno" > 34< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e" > m_products< / a > (< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a6e2ff61b9e8409f2a561663628b8ce02" > products< / a > ),< / div >
< div class = "line" > < a id = "l00035" name = "l00035" > < / a > < span class = "lineno" > 35< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a0185c6be5465d113f25e00aee1297cd6" > m_sourceLabel< / a > (label),< / div >
< div class = "line" > < a id = "l00036" name = "l00036" > < / a > < span class = "lineno" > 36< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72" > m_rateCoefficients< / a > (sets),< / div >
< div class = "line" > < a id = "l00037" name = "l00037" > < / a > < span class = "lineno" > 37< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b0b9ac498080aae91ffd466d1ae85a9" > m_reverse< / a > (reverse) {}< / div >
< / div >
< div class = "line" > < a id = "l00038" name = "l00038" > < / a > < span class = "lineno" > 38< / span > < / div >
< div class = "foldopen" id = "foldopen00039" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00039" name = "l00039" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#ad81e9b2a1773470059ca6989c60556ec" > 39< / a > < / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#ad81e9b2a1773470059ca6989c60556ec" > Reaction::calculate_rate< / a > (< span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T9)< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00040" name = "l00040" > < / a > < span class = "lineno" > 40< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#ad81e9b2a1773470059ca6989c60556ec" > calculate_rate< double> < / a > (T9);< / div >
< div class = "line" > < a id = "l00041" name = "l00041" > < / a > < span class = "lineno" > 41< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00042" name = "l00042" > < / a > < span class = "lineno" > 42< / span > < / div >
< div class = "foldopen" id = "foldopen00043" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00043" name = "l00043" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#a735192a42f72cd68f289493753e1a616" > 43< / a > < / span > CppAD::AD< double> < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#ad81e9b2a1773470059ca6989c60556ec" > Reaction::calculate_rate< / a > (< span class = "keyword" > const< / span > CppAD::AD< double> T9)< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00044" name = "l00044" > < / a > < span class = "lineno" > 44< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#ad81e9b2a1773470059ca6989c60556ec" > calculate_rate< CppAD::AD< double> < / a > > (T9);< / div >
< div class = "line" > < a id = "l00045" name = "l00045" > < / a > < span class = "lineno" > 45< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00046" name = "l00046" > < / a > < span class = "lineno" > 46< / span > < / div >
< div class = "foldopen" id = "foldopen00047" data-start = "{" data-end = "}" >
2025-07-24 11:10:45 -04:00
< div class = "line" > < a id = "l00047" name = "l00047" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#a3a8ba9212d76d5ce51f20df6892c6061" > 47< / a > < / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a3a8ba9212d76d5ce51f20df6892c6061" > Reaction::calculate_forward_rate_log_derivative< / a > (< span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T9)< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00048" name = "l00048" > < / a > < span class = "lineno" > 48< / span > < span class = "keyword" > constexpr< / span > < span class = "keywordtype" > double< / span > r_p13 = 1.0 / 3.0;< / div >
< div class = "line" > < a id = "l00049" name = "l00049" > < / a > < span class = "lineno" > 49< / span > < span class = "keyword" > constexpr< / span > < span class = "keywordtype" > double< / span > r_p53 = 5.0 / 3.0;< / div >
< div class = "line" > < a id = "l00050" name = "l00050" > < / a > < span class = "lineno" > 50< / span > < span class = "keyword" > constexpr< / span > < span class = "keywordtype" > double< / span > r_p23 = 2.0 / 3.0;< / div >
< div class = "line" > < a id = "l00051" name = "l00051" > < / a > < span class = "lineno" > 51< / span > < span class = "keyword" > constexpr< / span > < span class = "keywordtype" > double< / span > r_p43 = 4.0 / 3.0;< / div >
< div class = "line" > < a id = "l00052" name = "l00052" > < / a > < span class = "lineno" > 52< / span > < / div >
< div class = "line" > < a id = "l00053" name = "l00053" > < / a > < span class = "lineno" > 53< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T9_m1 = 1.0 / T9;< / div >
< div class = "line" > < a id = "l00054" name = "l00054" > < / a > < span class = "lineno" > 54< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T9_m23 = std::pow(T9, -r_p23);< / div >
< div class = "line" > < a id = "l00055" name = "l00055" > < / a > < span class = "lineno" > 55< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T9_m43 = std::pow(T9, -r_p43);< / div >
< div class = "line" > < a id = "l00056" name = "l00056" > < / a > < span class = "lineno" > 56< / span > < / div >
< div class = "line" > < a id = "l00057" name = "l00057" > < / a > < span class = "lineno" > 57< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > d_log_k_fwd_dT9 =< / div >
< div class = "line" > < a id = "l00058" name = "l00058" > < / a > < span class = "lineno" > 58< / span > -< a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72" > m_rateCoefficients< / a > .a1 * T9_m1 * T9_m1< / div >
< div class = "line" > < a id = "l00059" name = "l00059" > < / a > < span class = "lineno" > 59< / span > - r_p13 * < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72" > m_rateCoefficients< / a > .a2 * T9_m43< / div >
< div class = "line" > < a id = "l00060" name = "l00060" > < / a > < span class = "lineno" > 60< / span > + r_p13 * < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72" > m_rateCoefficients< / a > .a3 * T9_m23< / div >
< div class = "line" > < a id = "l00061" name = "l00061" > < / a > < span class = "lineno" > 61< / span > + < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72" > m_rateCoefficients< / a > .a4< / div >
< div class = "line" > < a id = "l00062" name = "l00062" > < / a > < span class = "lineno" > 62< / span > + r_p53 * < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72" > m_rateCoefficients< / a > .a5 * std::pow(T9, r_p23)< / div >
< div class = "line" > < a id = "l00063" name = "l00063" > < / a > < span class = "lineno" > 63< / span > + < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72" > m_rateCoefficients< / a > .a6 * T9_m1;< / div >
< div class = "line" > < a id = "l00064" name = "l00064" > < / a > < span class = "lineno" > 64< / span > < / div >
< div class = "line" > < a id = "l00065" name = "l00065" > < / a > < span class = "lineno" > 65< / span > < span class = "keywordflow" > return< / span > d_log_k_fwd_dT9; < span class = "comment" > // Return the derivative of the log rate with respect to T9< / span > < / div >
< div class = "line" > < a id = "l00066" name = "l00066" > < / a > < span class = "lineno" > 66< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00067" name = "l00067" > < / a > < span class = "lineno" > 67< / span > < / div >
< div class = "foldopen" id = "foldopen00068" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00068" name = "l00068" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#ab92785f331a446e51a0960b75d60b37b" > 68< / a > < / span > < span class = "keywordtype" > bool< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#ab92785f331a446e51a0960b75d60b37b" > Reaction::contains< / a > (< span class = "keyword" > const< / span > Species & species)< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00069" name = "l00069" > < / a > < span class = "lineno" > 69< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#abbe243affa61ba9b2cd2a7b905cd5e45" > contains_reactant< / a > (species) || < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a074d3cd2421fd5d0133e47f0522403e2" > contains_product< / a > (species);< / div >
< div class = "line" > < a id = "l00070" name = "l00070" > < / a > < span class = "lineno" > 70< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00071" name = "l00071" > < / a > < span class = "lineno" > 71< / span > < / div >
< div class = "line" > < a id = "l00072" name = "l00072" > < / a > < span class = "lineno" > 72< / span > < / div >
< div class = "foldopen" id = "foldopen00073" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00073" name = "l00073" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#abbe243affa61ba9b2cd2a7b905cd5e45" > 73< / a > < / span > < span class = "keywordtype" > bool< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#abbe243affa61ba9b2cd2a7b905cd5e45" > Reaction::contains_reactant< / a > (< span class = "keyword" > const< / span > Species& species)< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00074" name = "l00074" > < / a > < span class = "lineno" > 74< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & reactant : < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11" > m_reactants< / a > ) {< / div >
< div class = "line" > < a id = "l00075" name = "l00075" > < / a > < span class = "lineno" > 75< / span > < span class = "keywordflow" > if< / span > (reactant == species) {< / div >
< div class = "line" > < a id = "l00076" name = "l00076" > < / a > < span class = "lineno" > 76< / span > < span class = "keywordflow" > return< / span > < span class = "keyword" > true< / span > ;< / div >
< div class = "line" > < a id = "l00077" name = "l00077" > < / a > < span class = "lineno" > 77< / span > }< / div >
< div class = "line" > < a id = "l00078" name = "l00078" > < / a > < span class = "lineno" > 78< / span > }< / div >
< div class = "line" > < a id = "l00079" name = "l00079" > < / a > < span class = "lineno" > 79< / span > < span class = "keywordflow" > return< / span > < span class = "keyword" > false< / span > ;< / div >
< div class = "line" > < a id = "l00080" name = "l00080" > < / a > < span class = "lineno" > 80< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00081" name = "l00081" > < / a > < span class = "lineno" > 81< / span > < / div >
< div class = "foldopen" id = "foldopen00082" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00082" name = "l00082" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#a074d3cd2421fd5d0133e47f0522403e2" > 82< / a > < / span > < span class = "keywordtype" > bool< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a074d3cd2421fd5d0133e47f0522403e2" > Reaction::contains_product< / a > (< span class = "keyword" > const< / span > Species& species)< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00083" name = "l00083" > < / a > < span class = "lineno" > 83< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & product : < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e" > m_products< / a > ) {< / div >
< div class = "line" > < a id = "l00084" name = "l00084" > < / a > < span class = "lineno" > 84< / span > < span class = "keywordflow" > if< / span > (product == species) {< / div >
< div class = "line" > < a id = "l00085" name = "l00085" > < / a > < span class = "lineno" > 85< / span > < span class = "keywordflow" > return< / span > < span class = "keyword" > true< / span > ;< / div >
< div class = "line" > < a id = "l00086" name = "l00086" > < / a > < span class = "lineno" > 86< / span > }< / div >
< div class = "line" > < a id = "l00087" name = "l00087" > < / a > < span class = "lineno" > 87< / span > }< / div >
< div class = "line" > < a id = "l00088" name = "l00088" > < / a > < span class = "lineno" > 88< / span > < span class = "keywordflow" > return< / span > < span class = "keyword" > false< / span > ;< / div >
< div class = "line" > < a id = "l00089" name = "l00089" > < / a > < span class = "lineno" > 89< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00090" name = "l00090" > < / a > < span class = "lineno" > 90< / span > < / div >
< div class = "foldopen" id = "foldopen00091" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00091" name = "l00091" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#a7dc8fda87e0581fde6da0a81cf4d7224" > 91< / a > < / span > std::unordered_set< Species> < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a7dc8fda87e0581fde6da0a81cf4d7224" > Reaction::all_species< / a > ()< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00092" name = "l00092" > < / a > < span class = "lineno" > 92< / span > < span class = "keyword" > auto< / span > rs = < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a855ea65e4b62fb0cddc550424a4bc923" > reactant_species< / a > ();< / div >
< div class = "line" > < a id = "l00093" name = "l00093" > < / a > < span class = "lineno" > 93< / span > < span class = "keyword" > auto< / span > ps = < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a01c67726efbaa2ff8e4d6f2c965f485c" > product_species< / a > ();< / div >
< div class = "line" > < a id = "l00094" name = "l00094" > < / a > < span class = "lineno" > 94< / span > rs.insert(ps.begin(), ps.end());< / div >
< div class = "line" > < a id = "l00095" name = "l00095" > < / a > < span class = "lineno" > 95< / span > < span class = "keywordflow" > return< / span > rs;< / div >
< div class = "line" > < a id = "l00096" name = "l00096" > < / a > < span class = "lineno" > 96< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00097" name = "l00097" > < / a > < span class = "lineno" > 97< / span > < / div >
< div class = "foldopen" id = "foldopen00098" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00098" name = "l00098" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#a855ea65e4b62fb0cddc550424a4bc923" > 98< / a > < / span > std::unordered_set< Species> < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a855ea65e4b62fb0cddc550424a4bc923" > Reaction::reactant_species< / a > ()< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00099" name = "l00099" > < / a > < span class = "lineno" > 99< / span > std::unordered_set< Species> reactantsSet;< / div >
< div class = "line" > < a id = "l00100" name = "l00100" > < / a > < span class = "lineno" > 100< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & reactant : < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11" > m_reactants< / a > ) {< / div >
< div class = "line" > < a id = "l00101" name = "l00101" > < / a > < span class = "lineno" > 101< / span > reactantsSet.insert(reactant);< / div >
< div class = "line" > < a id = "l00102" name = "l00102" > < / a > < span class = "lineno" > 102< / span > }< / div >
< div class = "line" > < a id = "l00103" name = "l00103" > < / a > < span class = "lineno" > 103< / span > < span class = "keywordflow" > return< / span > reactantsSet;< / div >
< div class = "line" > < a id = "l00104" name = "l00104" > < / a > < span class = "lineno" > 104< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00105" name = "l00105" > < / a > < span class = "lineno" > 105< / span > < / div >
< div class = "foldopen" id = "foldopen00106" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00106" name = "l00106" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#a01c67726efbaa2ff8e4d6f2c965f485c" > 106< / a > < / span > std::unordered_set< Species> < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a01c67726efbaa2ff8e4d6f2c965f485c" > Reaction::product_species< / a > ()< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00107" name = "l00107" > < / a > < span class = "lineno" > 107< / span > std::unordered_set< Species> productsSet;< / div >
< div class = "line" > < a id = "l00108" name = "l00108" > < / a > < span class = "lineno" > 108< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & product : < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e" > m_products< / a > ) {< / div >
< div class = "line" > < a id = "l00109" name = "l00109" > < / a > < span class = "lineno" > 109< / span > productsSet.insert(product);< / div >
< div class = "line" > < a id = "l00110" name = "l00110" > < / a > < span class = "lineno" > 110< / span > }< / div >
< div class = "line" > < a id = "l00111" name = "l00111" > < / a > < span class = "lineno" > 111< / span > < span class = "keywordflow" > return< / span > productsSet;< / div >
< div class = "line" > < a id = "l00112" name = "l00112" > < / a > < span class = "lineno" > 112< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00113" name = "l00113" > < / a > < span class = "lineno" > 113< / span > < / div >
< div class = "line" > < a id = "l00114" name = "l00114" > < / a > < span class = "lineno" > 114< / span > < span class = "keywordtype" > int< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#ad359c06d7196c1a7a955a7b66a51dbe3" > Reaction::stoichiometry< / a > (< span class = "keyword" > const< / span > Species& species)< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00115" name = "l00115" > < / a > < span class = "lineno" > 115< / span > < span class = "keywordtype" > int< / span > s = 0;< / div >
< div class = "line" > < a id = "l00116" name = "l00116" > < / a > < span class = "lineno" > 116< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & reactant : < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11" > m_reactants< / a > ) {< / div >
< div class = "line" > < a id = "l00117" name = "l00117" > < / a > < span class = "lineno" > 117< / span > < span class = "keywordflow" > if< / span > (reactant == species) {< / div >
< div class = "line" > < a id = "l00118" name = "l00118" > < / a > < span class = "lineno" > 118< / span > s--;< / div >
< div class = "line" > < a id = "l00119" name = "l00119" > < / a > < span class = "lineno" > 119< / span > }< / div >
< div class = "line" > < a id = "l00120" name = "l00120" > < / a > < span class = "lineno" > 120< / span > }< / div >
< div class = "line" > < a id = "l00121" name = "l00121" > < / a > < span class = "lineno" > 121< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & product : < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e" > m_products< / a > ) {< / div >
< div class = "line" > < a id = "l00122" name = "l00122" > < / a > < span class = "lineno" > 122< / span > < span class = "keywordflow" > if< / span > (product == species) {< / div >
< div class = "line" > < a id = "l00123" name = "l00123" > < / a > < span class = "lineno" > 123< / span > s++;< / div >
< div class = "line" > < a id = "l00124" name = "l00124" > < / a > < span class = "lineno" > 124< / span > }< / div >
< div class = "line" > < a id = "l00125" name = "l00125" > < / a > < span class = "lineno" > 125< / span > }< / div >
< div class = "line" > < a id = "l00126" name = "l00126" > < / a > < span class = "lineno" > 126< / span > < span class = "keywordflow" > return< / span > s;< / div >
< div class = "line" > < a id = "l00127" name = "l00127" > < / a > < span class = "lineno" > 127< / span > }< / div >
< div class = "line" > < a id = "l00128" name = "l00128" > < / a > < span class = "lineno" > 128< / span > < / div >
< div class = "foldopen" id = "foldopen00129" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00129" name = "l00129" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#a1d3c8ab6d55155f9a21ad80ed8b9ef97" > 129< / a > < / span > < span class = "keywordtype" > size_t< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a1d3c8ab6d55155f9a21ad80ed8b9ef97" > Reaction::num_species< / a > ()< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00130" name = "l00130" > < / a > < span class = "lineno" > 130< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a7dc8fda87e0581fde6da0a81cf4d7224" > all_species< / a > ().size();< / div >
< div class = "line" > < a id = "l00131" name = "l00131" > < / a > < span class = "lineno" > 131< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00132" name = "l00132" > < / a > < span class = "lineno" > 132< / span > < / div >
< div class = "foldopen" id = "foldopen00133" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00133" name = "l00133" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#ad359c06d7196c1a7a955a7b66a51dbe3" > 133< / a > < / span > std::unordered_map< Species, int> < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#ad359c06d7196c1a7a955a7b66a51dbe3" > Reaction::stoichiometry< / a > ()< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00134" name = "l00134" > < / a > < span class = "lineno" > 134< / span > std::unordered_map< Species, int> stoichiometryMap;< / div >
< div class = "line" > < a id = "l00135" name = "l00135" > < / a > < span class = "lineno" > 135< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & reactant : < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11" > m_reactants< / a > ) {< / div >
< div class = "line" > < a id = "l00136" name = "l00136" > < / a > < span class = "lineno" > 136< / span > stoichiometryMap[reactant]--;< / div >
< div class = "line" > < a id = "l00137" name = "l00137" > < / a > < span class = "lineno" > 137< / span > }< / div >
< div class = "line" > < a id = "l00138" name = "l00138" > < / a > < span class = "lineno" > 138< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & product : < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e" > m_products< / a > ) {< / div >
< div class = "line" > < a id = "l00139" name = "l00139" > < / a > < span class = "lineno" > 139< / span > stoichiometryMap[product]++;< / div >
< div class = "line" > < a id = "l00140" name = "l00140" > < / a > < span class = "lineno" > 140< / span > }< / div >
< div class = "line" > < a id = "l00141" name = "l00141" > < / a > < span class = "lineno" > 141< / span > < span class = "keywordflow" > return< / span > stoichiometryMap;< / div >
< div class = "line" > < a id = "l00142" name = "l00142" > < / a > < span class = "lineno" > 142< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00143" name = "l00143" > < / a > < span class = "lineno" > 143< / span > < / div >
< div class = "foldopen" id = "foldopen00144" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00144" name = "l00144" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#aa1d71e38fc55ae691dbb9ec459a612a5" > 144< / a > < / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#aa1d71e38fc55ae691dbb9ec459a612a5" > Reaction::excess_energy< / a > ()< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00145" name = "l00145" > < / a > < span class = "lineno" > 145< / span > < span class = "keywordtype" > double< / span > reactantMass = 0.0;< / div >
< div class = "line" > < a id = "l00146" name = "l00146" > < / a > < span class = "lineno" > 146< / span > < span class = "keywordtype" > double< / span > productMass = 0.0;< / div >
< div class = "line" > < a id = "l00147" name = "l00147" > < / a > < span class = "lineno" > 147< / span > < span class = "keyword" > constexpr< / span > < span class = "keywordtype" > double< / span > AMU2MeV = 931.494893; < span class = "comment" > // Conversion factor from atomic mass unit to MeV< / span > < / div >
< div class = "line" > < a id = "l00148" name = "l00148" > < / a > < span class = "lineno" > 148< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & reactant : < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11" > m_reactants< / a > ) {< / div >
< div class = "line" > < a id = "l00149" name = "l00149" > < / a > < span class = "lineno" > 149< / span > reactantMass += reactant.mass();< / div >
< div class = "line" > < a id = "l00150" name = "l00150" > < / a > < span class = "lineno" > 150< / span > }< / div >
< div class = "line" > < a id = "l00151" name = "l00151" > < / a > < span class = "lineno" > 151< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & product : < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e" > m_products< / a > ) {< / div >
< div class = "line" > < a id = "l00152" name = "l00152" > < / a > < span class = "lineno" > 152< / span > productMass += product.mass();< / div >
< div class = "line" > < a id = "l00153" name = "l00153" > < / a > < span class = "lineno" > 153< / span > }< / div >
< div class = "line" > < a id = "l00154" name = "l00154" > < / a > < span class = "lineno" > 154< / span > < span class = "keywordflow" > return< / span > (reactantMass - productMass) * AMU2MeV;< / div >
< div class = "line" > < a id = "l00155" name = "l00155" > < / a > < span class = "lineno" > 155< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00156" name = "l00156" > < / a > < span class = "lineno" > 156< / span > < / div >
< div class = "foldopen" id = "foldopen00157" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00157" name = "l00157" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_reaction.html#af6c20e6d03a2d9f87632f71a90b88cb5" > 157< / a > < / span > uint64_t < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#af6c20e6d03a2d9f87632f71a90b88cb5" > Reaction::hash< / a > (< span class = "keyword" > const< / span > uint64_t seed)< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00158" name = "l00158" > < / a > < span class = "lineno" > 158< / span > < span class = "keywordflow" > return< / span > XXHash64::hash(< a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b" > m_id< / a > .data(), < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b" > m_id< / a > .size(), seed);< / div >
< div class = "line" > < a id = "l00159" name = "l00159" > < / a > < span class = "lineno" > 159< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00160" name = "l00160" > < / a > < span class = "lineno" > 160< / span > < / div >
< div class = "line" > < a id = "l00161" name = "l00161" > < / a > < span class = "lineno" > 161< / span > < / div >
< div class = "line" > < a id = "l00162" name = "l00162" > < / a > < span class = "lineno" > 162< / span > < / div >
< div class = "foldopen" id = "foldopen00163" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00163" name = "l00163" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a6965906ea33ebd0d615811219d9e9537" > 163< / a > < / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a6965906ea33ebd0d615811219d9e9537" > LogicalReaction::LogicalReaction< / a > (< span class = "keyword" > const< / span > std::vector< Reaction> & < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > ) :< / div >
< div class = "line" > < a id = "l00164" name = "l00164" > < / a > < span class = "lineno" > 164< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a7dff19d387e771d96c26e98d75ee9d5c" > Reaction< / a > (< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > .front().< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a78f42664cc957e266b6cf15fda09be97" > peName< / a > (),< / div >
< div class = "line" > < a id = "l00165" name = "l00165" > < / a > < span class = "lineno" > 165< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > .front().< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a78f42664cc957e266b6cf15fda09be97" > peName< / a > (),< / div >
< div class = "line" > < a id = "l00166" name = "l00166" > < / a > < span class = "lineno" > 166< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > .front().< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a5cb438adfefb640e4bc58e09053bd629" > chapter< / a > (),< / div >
< div class = "line" > < a id = "l00167" name = "l00167" > < / a > < span class = "lineno" > 167< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > .front().< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > (),< / div >
< div class = "line" > < a id = "l00168" name = "l00168" > < / a > < span class = "lineno" > 168< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > .front().< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a6e2ff61b9e8409f2a561663628b8ce02" > products< / a > (),< / div >
< div class = "line" > < a id = "l00169" name = "l00169" > < / a > < span class = "lineno" > 169< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > .front().< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#abda0b4e4313e6d4ba57acf37d5976fb8" > qValue< / a > (),< / div >
< div class = "line" > < a id = "l00170" name = "l00170" > < / a > < span class = "lineno" > 170< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > .front().< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a410e2ab0784ad751f82bbe55be603db0" > sourceLabel< / a > (),< / div >
< div class = "line" > < a id = "l00171" name = "l00171" > < / a > < span class = "lineno" > 171< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > .front().< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a85968076e686e67763f4fdf4f72a892e" > rateCoefficients< / a > (),< / div >
< div class = "line" > < a id = "l00172" name = "l00172" > < / a > < span class = "lineno" > 172< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > .front().< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#aa67d05dfabf007c1acad34052d9a1dba" > is_reverse< / a > ()) {< / div >
< div class = "line" > < a id = "l00173" name = "l00173" > < / a > < span class = "lineno" > 173< / span > < / div >
< div class = "line" > < a id = "l00174" name = "l00174" > < / a > < span class = "lineno" > 174< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a7fe91d24e20ebc76d612f6ad742f476f" > m_sources< / a > .reserve(< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > .size());< / div >
< div class = "line" > < a id = "l00175" name = "l00175" > < / a > < span class = "lineno" > 175< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a81f75f0085f8a5a45169f0b7240c809d" > m_rates< / a > .reserve(< a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > .size());< / div >
< div class = "line" > < a id = "l00176" name = "l00176" > < / a > < span class = "lineno" > 176< / span > for (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & < a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > : < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > reactants< / a > ) {< / div >
< div class = "line" > < a id = "l00177" name = "l00177" > < / a > < span class = "lineno" > 177< / span > < span class = "keywordflow" > if< / span > (std::abs(std::abs(< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .qValue()) - std::abs(< a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b" > m_qValue< / a > )) > 1e-6) {< / div >
< div class = "line" > < a id = "l00178" name = "l00178" > < / a > < span class = "lineno" > 178< / span > LOG_ERROR(< / div >
< div class = "line" > < a id = "l00179" name = "l00179" > < / a > < span class = "lineno" > 179< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4" > m_logger< / a > ,< / div >
< div class = "line" > < a id = "l00180" name = "l00180" > < / a > < span class = "lineno" > 180< / span > < span class = "stringliteral" > " LogicalReaction constructed with reactions having different Q-values. Expected {} got {}." < / span > ,< / div >
< div class = "line" > < a id = "l00181" name = "l00181" > < / a > < span class = "lineno" > 181< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b" > m_qValue< / a > ,< / div >
< div class = "line" > < a id = "l00182" name = "l00182" > < / a > < span class = "lineno" > 182< / span > < a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .qValue()< / div >
< div class = "line" > < a id = "l00183" name = "l00183" > < / a > < span class = "lineno" > 183< / span > );< / div >
< div class = "line" > < a id = "l00184" name = "l00184" > < / a > < span class = "lineno" > 184< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4" > m_logger< / a > -> flush_log();< / div >
< div class = "line" > < a id = "l00185" name = "l00185" > < / a > < span class = "lineno" > 185< / span > < span class = "keywordflow" > throw< / span > std::runtime_error(< span class = "stringliteral" > " LogicalReaction constructed with reactions having different Q-values. Expected " < / span > + std::to_string(< a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b" > m_qValue< / a > ) + < span class = "stringliteral" > " got " < / span > + std::to_string(< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .qValue()) + < span class = "stringliteral" > " (difference : " < / span > + std::to_string(std::abs(< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .qValue() - < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b" > m_qValue< / a > )) + < span class = "stringliteral" > " )." < / span > );< / div >
< div class = "line" > < a id = "l00186" name = "l00186" > < / a > < span class = "lineno" > 186< / span > }< / div >
< div class = "line" > < a id = "l00187" name = "l00187" > < / a > < span class = "lineno" > 187< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a7fe91d24e20ebc76d612f6ad742f476f" > m_sources< / a > .push_back(std::string(< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .sourceLabel()));< / div >
< div class = "line" > < a id = "l00188" name = "l00188" > < / a > < span class = "lineno" > 188< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a81f75f0085f8a5a45169f0b7240c809d" > m_rates< / a > .push_back(< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .rateCoefficients());< / div >
< div class = "line" > < a id = "l00189" name = "l00189" > < / a > < span class = "lineno" > 189< / span > }< / div >
< div class = "line" > < a id = "l00190" name = "l00190" > < / a > < span class = "lineno" > 190< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00191" name = "l00191" > < / a > < span class = "lineno" > 191< / span > < / div >
< div class = "foldopen" id = "foldopen00192" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00192" name = "l00192" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a14a24cb8ea25a1514134acc51197f1de" > 192< / a > < / span > < span class = "keywordtype" > void< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a14a24cb8ea25a1514134acc51197f1de" > LogicalReaction::add_reaction< / a > (< span class = "keyword" > const< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_reaction.html#a7dff19d387e771d96c26e98d75ee9d5c" > Reaction< / a > & < a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > ) {< / div >
< div class = "line" > < a id = "l00193" name = "l00193" > < / a > < span class = "lineno" > 193< / span > < span class = "keywordflow" > if< / span > (< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .peName() != < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b" > m_id< / a > ) {< / div >
< div class = "line" > < a id = "l00194" name = "l00194" > < / a > < span class = "lineno" > 194< / span > LOG_ERROR(< a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4" > m_logger< / a > , < span class = "stringliteral" > " Cannot add reaction with different peName to LogicalReaction. Expected {} got {}." < / span > , < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b" > m_id< / a > , < a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .peName());< / div >
< div class = "line" > < a id = "l00195" name = "l00195" > < / a > < span class = "lineno" > 195< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4" > m_logger< / a > -> flush_log();< / div >
< div class = "line" > < a id = "l00196" name = "l00196" > < / a > < span class = "lineno" > 196< / span > < span class = "keywordflow" > throw< / span > std::runtime_error(< span class = "stringliteral" > " Cannot add reaction with different peName to LogicalReaction. Expected " < / span > + std::string(< a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b" > m_id< / a > ) + < span class = "stringliteral" > " got " < / span > + std::string(< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .peName()) + < span class = "stringliteral" > " ." < / span > );< / div >
< div class = "line" > < a id = "l00197" name = "l00197" > < / a > < span class = "lineno" > 197< / span > }< / div >
< div class = "line" > < a id = "l00198" name = "l00198" > < / a > < span class = "lineno" > 198< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & source : < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a7fe91d24e20ebc76d612f6ad742f476f" > m_sources< / a > ) {< / div >
< div class = "line" > < a id = "l00199" name = "l00199" > < / a > < span class = "lineno" > 199< / span > < span class = "keywordflow" > if< / span > (source == < a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .sourceLabel()) {< / div >
< div class = "line" > < a id = "l00200" name = "l00200" > < / a > < span class = "lineno" > 200< / span > LOG_ERROR(< a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4" > m_logger< / a > , < span class = "stringliteral" > " Cannot add reaction with duplicate source label {} to LogicalReaction." < / span > , < a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .sourceLabel());< / div >
< div class = "line" > < a id = "l00201" name = "l00201" > < / a > < span class = "lineno" > 201< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4" > m_logger< / a > -> flush_log();< / div >
< div class = "line" > < a id = "l00202" name = "l00202" > < / a > < span class = "lineno" > 202< / span > < span class = "keywordflow" > throw< / span > std::runtime_error(< span class = "stringliteral" > " Cannot add reaction with duplicate source label " < / span > + std::string(< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .sourceLabel()) + < span class = "stringliteral" > " to LogicalReaction." < / span > );< / div >
< div class = "line" > < a id = "l00203" name = "l00203" > < / a > < span class = "lineno" > 203< / span > }< / div >
< div class = "line" > < a id = "l00204" name = "l00204" > < / a > < span class = "lineno" > 204< / span > }< / div >
< div class = "line" > < a id = "l00205" name = "l00205" > < / a > < span class = "lineno" > 205< / span > < span class = "keywordflow" > if< / span > (std::abs(< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .qValue() - < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b" > m_qValue< / a > ) > 1e-6) {< / div >
< div class = "line" > < a id = "l00206" name = "l00206" > < / a > < span class = "lineno" > 206< / span > LOG_ERROR(< a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4" > m_logger< / a > , < span class = "stringliteral" > " LogicalReaction constructed with reactions having different Q-values. Expected {} got {}." < / span > , < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b" > m_qValue< / a > , < a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .qValue());< / div >
< div class = "line" > < a id = "l00207" name = "l00207" > < / a > < span class = "lineno" > 207< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4" > m_logger< / a > -> flush_log();< / div >
< div class = "line" > < a id = "l00208" name = "l00208" > < / a > < span class = "lineno" > 208< / span > < span class = "keywordflow" > throw< / span > std::runtime_error(< span class = "stringliteral" > " LogicalReaction constructed with reactions having different Q-values. Expected " < / span > + std::to_string(< a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b" > m_qValue< / a > ) + < span class = "stringliteral" > " got " < / span > + std::to_string(< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .qValue()) + < span class = "stringliteral" > " ." < / span > );< / div >
< div class = "line" > < a id = "l00209" name = "l00209" > < / a > < span class = "lineno" > 209< / span > }< / div >
< div class = "line" > < a id = "l00210" name = "l00210" > < / a > < span class = "lineno" > 210< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a7fe91d24e20ebc76d612f6ad742f476f" > m_sources< / a > .push_back(std::string(< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .sourceLabel()));< / div >
< div class = "line" > < a id = "l00211" name = "l00211" > < / a > < span class = "lineno" > 211< / span > < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a81f75f0085f8a5a45169f0b7240c809d" > m_rates< / a > .push_back(< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .rateCoefficients());< / div >
< div class = "line" > < a id = "l00212" name = "l00212" > < / a > < span class = "lineno" > 212< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00213" name = "l00213" > < / a > < span class = "lineno" > 213< / span > < / div >
< div class = "foldopen" id = "foldopen00214" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00214" name = "l00214" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a1d2fb3b6a6a1860ace98b32447d1dd1b" > 214< / a > < / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a1d2fb3b6a6a1860ace98b32447d1dd1b" > LogicalReaction::calculate_rate< / a > (< span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T9)< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00215" name = "l00215" > < / a > < span class = "lineno" > 215< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a1d2fb3b6a6a1860ace98b32447d1dd1b" > calculate_rate< double> < / a > (T9);< / div >
2025-07-01 11:40:51 -04:00
< div class = "line" > < a id = "l00216" name = "l00216" > < / a > < span class = "lineno" > 216< / span > }< / div >
< / div >
2025-07-24 11:10:45 -04:00
< div class = "line" > < a id = "l00217" name = "l00217" > < / a > < span class = "lineno" > 217< / span > < / div >
< div class = "foldopen" id = "foldopen00218" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00218" name = "l00218" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#aa4b8d0d30459f360ff6e29d848e943d5" > 218< / a > < / span > < span class = "keywordtype" > double< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#aa4b8d0d30459f360ff6e29d848e943d5" > LogicalReaction::calculate_forward_rate_log_derivative< / a > (< span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T9)< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00219" name = "l00219" > < / a > < span class = "lineno" > 219< / span > < span class = "keyword" > constexpr< / span > < span class = "keywordtype" > double< / span > r_p13 = 1.0 / 3.0;< / div >
< div class = "line" > < a id = "l00220" name = "l00220" > < / a > < span class = "lineno" > 220< / span > < span class = "keyword" > constexpr< / span > < span class = "keywordtype" > double< / span > r_p53 = 5.0 / 3.0;< / div >
< div class = "line" > < a id = "l00221" name = "l00221" > < / a > < span class = "lineno" > 221< / span > < span class = "keyword" > constexpr< / span > < span class = "keywordtype" > double< / span > r_p23 = 2.0 / 3.0;< / div >
< div class = "line" > < a id = "l00222" name = "l00222" > < / a > < span class = "lineno" > 222< / span > < span class = "keyword" > constexpr< / span > < span class = "keywordtype" > double< / span > r_p43 = 4.0 / 3.0;< / div >
< div class = "line" > < a id = "l00223" name = "l00223" > < / a > < span class = "lineno" > 223< / span > < / div >
< div class = "line" > < a id = "l00224" name = "l00224" > < / a > < span class = "lineno" > 224< / span > < span class = "keywordtype" > double< / span > totalRate = 0.0;< / div >
< div class = "line" > < a id = "l00225" name = "l00225" > < / a > < span class = "lineno" > 225< / span > < span class = "keywordtype" > double< / span > totalRateDerivative = 0.0;< / div >
2025-07-01 11:40:51 -04:00
< div class = "line" > < a id = "l00226" name = "l00226" > < / a > < span class = "lineno" > 226< / span > < / div >
2025-07-24 11:10:45 -04:00
< div class = "line" > < a id = "l00227" name = "l00227" > < / a > < span class = "lineno" > 227< / span > < / div >
< div class = "line" > < a id = "l00228" name = "l00228" > < / a > < span class = "lineno" > 228< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T9_m1 = 1.0 / T9;< / div >
< div class = "line" > < a id = "l00229" name = "l00229" > < / a > < span class = "lineno" > 229< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T913 = std::pow(T9, r_p13);< / div >
< div class = "line" > < a id = "l00230" name = "l00230" > < / a > < span class = "lineno" > 230< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T953 = std::pow(T9, r_p53);< / div >
< div class = "line" > < a id = "l00231" name = "l00231" > < / a > < span class = "lineno" > 231< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > logT9 = std::log(T9);< / div >
< div class = "line" > < a id = "l00232" name = "l00232" > < / a > < span class = "lineno" > 232< / span > < / div >
< div class = "line" > < a id = "l00233" name = "l00233" > < / a > < span class = "lineno" > 233< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T9_m1_sq = T9_m1 * T9_m1;< / div >
< div class = "line" > < a id = "l00234" name = "l00234" > < / a > < span class = "lineno" > 234< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T9_m23 = std::pow(T9, -r_p23);< / div >
< div class = "line" > < a id = "l00235" name = "l00235" > < / a > < span class = "lineno" > 235< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T9_m43 = std::pow(T9, -r_p43);< / div >
< div class = "line" > < a id = "l00236" name = "l00236" > < / a > < span class = "lineno" > 236< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > T9_p23 = std::pow(T9, r_p23);< / div >
< div class = "line" > < a id = "l00237" name = "l00237" > < / a > < span class = "lineno" > 237< / span > < / div >
< div class = "line" > < a id = "l00238" name = "l00238" > < / a > < span class = "lineno" > 238< / span > < / div >
< div class = "line" > < a id = "l00239" name = "l00239" > < / a > < span class = "lineno" > 239< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & coeffs : < a class = "code hl_variable" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a81f75f0085f8a5a45169f0b7240c809d" > m_rates< / a > ) {< / div >
< div class = "line" > < a id = "l00240" name = "l00240" > < / a > < span class = "lineno" > 240< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > exponent = coeffs.a0 +< / div >
< div class = "line" > < a id = "l00241" name = "l00241" > < / a > < span class = "lineno" > 241< / span > coeffs.a1 * T9_m1 +< / div >
< div class = "line" > < a id = "l00242" name = "l00242" > < / a > < span class = "lineno" > 242< / span > coeffs.a2 / T913 +< / div >
< div class = "line" > < a id = "l00243" name = "l00243" > < / a > < span class = "lineno" > 243< / span > coeffs.a3 * T913 +< / div >
< div class = "line" > < a id = "l00244" name = "l00244" > < / a > < span class = "lineno" > 244< / span > coeffs.a4 * T9 +< / div >
< div class = "line" > < a id = "l00245" name = "l00245" > < / a > < span class = "lineno" > 245< / span > coeffs.a5 * T953 +< / div >
< div class = "line" > < a id = "l00246" name = "l00246" > < / a > < span class = "lineno" > 246< / span > coeffs.a6 * logT9;< / div >
< div class = "line" > < a id = "l00247" name = "l00247" > < / a > < span class = "lineno" > 247< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > individualRate = std::exp(exponent);< / div >
< div class = "line" > < a id = "l00248" name = "l00248" > < / a > < span class = "lineno" > 248< / span > < / div >
< div class = "line" > < a id = "l00249" name = "l00249" > < / a > < span class = "lineno" > 249< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > d_exponent_T9 =< / div >
< div class = "line" > < a id = "l00250" name = "l00250" > < / a > < span class = "lineno" > 250< / span > -coeffs.a1 * T9_m1_sq< / div >
< div class = "line" > < a id = "l00251" name = "l00251" > < / a > < span class = "lineno" > 251< / span > - r_p13 * coeffs.a2 * T9_m43< / div >
< div class = "line" > < a id = "l00252" name = "l00252" > < / a > < span class = "lineno" > 252< / span > + r_p13 * coeffs.a3 * T9_m23< / div >
< div class = "line" > < a id = "l00253" name = "l00253" > < / a > < span class = "lineno" > 253< / span > + coeffs.a4< / div >
< div class = "line" > < a id = "l00254" name = "l00254" > < / a > < span class = "lineno" > 254< / span > + r_p53 * coeffs.a5 * T9_p23< / div >
< div class = "line" > < a id = "l00255" name = "l00255" > < / a > < span class = "lineno" > 255< / span > + coeffs.a6 * T9_m1;< / div >
< div class = "line" > < a id = "l00256" name = "l00256" > < / a > < span class = "lineno" > 256< / span > < / div >
< div class = "line" > < a id = "l00257" name = "l00257" > < / a > < span class = "lineno" > 257< / span > < span class = "keyword" > const< / span > < span class = "keywordtype" > double< / span > individualRateDerivative = individualRate * d_exponent_T9;< / div >
< div class = "line" > < a id = "l00258" name = "l00258" > < / a > < span class = "lineno" > 258< / span > totalRate += individualRate;< / div >
< div class = "line" > < a id = "l00259" name = "l00259" > < / a > < span class = "lineno" > 259< / span > totalRateDerivative += individualRateDerivative;< / div >
< div class = "line" > < a id = "l00260" name = "l00260" > < / a > < span class = "lineno" > 260< / span > }< / div >
< div class = "line" > < a id = "l00261" name = "l00261" > < / a > < span class = "lineno" > 261< / span > < / div >
< div class = "line" > < a id = "l00262" name = "l00262" > < / a > < span class = "lineno" > 262< / span > < span class = "keywordflow" > if< / span > (totalRate == 0.0) {< / div >
< div class = "line" > < a id = "l00263" name = "l00263" > < / a > < span class = "lineno" > 263< / span > < span class = "keywordflow" > return< / span > 0.0; < span class = "comment" > // Avoid division by zero< / span > < / div >
< div class = "line" > < a id = "l00264" name = "l00264" > < / a > < span class = "lineno" > 264< / span > }< / div >
< div class = "line" > < a id = "l00265" name = "l00265" > < / a > < span class = "lineno" > 265< / span > < / div >
< div class = "line" > < a id = "l00266" name = "l00266" > < / a > < span class = "lineno" > 266< / span > < span class = "keywordflow" > return< / span > totalRateDerivative / totalRate;< / div >
< div class = "line" > < a id = "l00267" name = "l00267" > < / a > < span class = "lineno" > 267< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00268" name = "l00268" > < / a > < span class = "lineno" > 268< / span > < / div >
< div class = "foldopen" id = "foldopen00269" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00269" name = "l00269" > < / a > < span class = "lineno" > < a class = "line" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#adad6f4297c1d8ce487eab092b73cdd32" > 269< / a > < / span > CppAD::AD< double> < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a1d2fb3b6a6a1860ace98b32447d1dd1b" > LogicalReaction::calculate_rate< / a > (< span class = "keyword" > const< / span > CppAD::AD< double> T9)< span class = "keyword" > const < / span > {< / div >
< div class = "line" > < a id = "l00270" name = "l00270" > < / a > < span class = "lineno" > 270< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_function" href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a1d2fb3b6a6a1860ace98b32447d1dd1b" > calculate_rate< CppAD::AD< double> < / a > > (T9);< / div >
< div class = "line" > < a id = "l00271" name = "l00271" > < / a > < span class = "lineno" > 271< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00272" name = "l00272" > < / a > < span class = "lineno" > 272< / span > < / div >
< div class = "foldopen" id = "foldopen00273" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00273" name = "l00273" > < / a > < span class = "lineno" > < a class = "line" href = "namespacegridfire_1_1reaction.html#abfcfafc0cda0c3ed56930a12e7ead67f" > 273< / a > < / span > < a class = "code hl_typedef" href = "namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31" > LogicalReactionSet< / a > < a class = "code hl_function" href = "namespacegridfire_1_1reaction.html#abfcfafc0cda0c3ed56930a12e7ead67f" > packReactionSetToLogicalReactionSet< / a > (< span class = "keyword" > const< / span > < a class = "code hl_typedef" href = "namespacegridfire_1_1reaction.html#ad838ce3fb6cc02c3fd90b924a0dd91b1" > ReactionSet< / a > & reactionSet) {< / div >
< div class = "line" > < a id = "l00274" name = "l00274" > < / a > < span class = "lineno" > 274< / span > std::unordered_map< std::string_view, std::vector< Reaction> > groupedReactions;< / div >
< div class = "line" > < a id = "l00275" name = "l00275" > < / a > < span class = "lineno" > 275< / span > < / div >
< div class = "line" > < a id = "l00276" name = "l00276" > < / a > < span class = "lineno" > 276< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & < a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > : reactionSet) {< / div >
< div class = "line" > < a id = "l00277" name = "l00277" > < / a > < span class = "lineno" > 277< / span > groupedReactions[< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > .peName()].push_back(< a class = "code hl_namespace" href = "namespacegridfire_1_1reaction.html" > reaction< / a > );< / div >
< div class = "line" > < a id = "l00278" name = "l00278" > < / a > < span class = "lineno" > 278< / span > }< / div >
< div class = "line" > < a id = "l00279" name = "l00279" > < / a > < span class = "lineno" > 279< / span > < / div >
< div class = "line" > < a id = "l00280" name = "l00280" > < / a > < span class = "lineno" > 280< / span > std::vector< LogicalReaction> reactions;< / div >
< div class = "line" > < a id = "l00281" name = "l00281" > < / a > < span class = "lineno" > 281< / span > reactions.reserve(groupedReactions.size());< / div >
< div class = "line" > < a id = "l00282" name = "l00282" > < / a > < span class = "lineno" > 282< / span > < / div >
< div class = "line" > < a id = "l00283" name = "l00283" > < / a > < span class = "lineno" > 283< / span > < span class = "keywordflow" > for< / span > (< span class = "keyword" > const< / span > < span class = "keyword" > auto< / span > & reactionsGroup: groupedReactions | std::views::values) {< / div >
< div class = "line" > < a id = "l00284" name = "l00284" > < / a > < span class = "lineno" > 284< / span > < a class = "code hl_class" href = "classgridfire_1_1reaction_1_1_logical_reaction.html" > LogicalReaction< / a > logicalReaction(reactionsGroup);< / div >
< div class = "line" > < a id = "l00285" name = "l00285" > < / a > < span class = "lineno" > 285< / span > reactions.push_back(logicalReaction);< / div >
< div class = "line" > < a id = "l00286" name = "l00286" > < / a > < span class = "lineno" > 286< / span > }< / div >
< div class = "line" > < a id = "l00287" name = "l00287" > < / a > < span class = "lineno" > 287< / span > < span class = "keywordflow" > return< / span > < a class = "code hl_typedef" href = "namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31" > LogicalReactionSet< / a > (std::move(reactions));< / div >
< div class = "line" > < a id = "l00288" name = "l00288" > < / a > < span class = "lineno" > 288< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00289" name = "l00289" > < / a > < span class = "lineno" > 289< / span > }< / div >
< div class = "line" > < a id = "l00290" name = "l00290" > < / a > < span class = "lineno" > 290< / span > < / div >
< div class = "line" > < a id = "l00291" name = "l00291" > < / a > < span class = "lineno" > 291< / span > < span class = "keyword" > namespace < / span > < a class = "code hl_namespace" href = "namespacestd.html" > std< / a > {< / div >
< div class = "line" > < a id = "l00292" name = "l00292" > < / a > < span class = "lineno" > 292< / span > < span class = "keyword" > template< / span > < > < / div >
< div class = "foldopen" id = "foldopen00293" data-start = "{" data-end = "};" >
< div class = "line" > < a id = "l00293" name = "l00293" > < / a > < span class = "lineno" > < a class = "line" href = "structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_01_4.html" > 293< / a > < / span > < span class = "keyword" > struct < / span > hash< < a class = "code hl_namespace" href = "namespacegridfire.html" > gridfire< / a > ::reaction::Reaction> {< / div >
< div class = "foldopen" id = "foldopen00294" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00294" name = "l00294" > < / a > < span class = "lineno" > < a class = "line" href = "structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_01_4.html#a48224b63a80690e4f0620f1312be5dd9" > 294< / a > < / span > < span class = "keywordtype" > size_t< / span > < a class = "code hl_function" href = "structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_01_4.html#a48224b63a80690e4f0620f1312be5dd9" > operator()< / a > (< span class = "keyword" > const< / span > < a class = "code hl_class" href = "classgridfire_1_1reaction_1_1_reaction.html" > gridfire::reaction::Reaction< / a > & r) < span class = "keyword" > const< / span > < span class = "keyword" > noexcept< / span > {< / div >
< div class = "line" > < a id = "l00295" name = "l00295" > < / a > < span class = "lineno" > 295< / span > < span class = "keywordflow" > return< / span > r.hash(0);< / div >
< div class = "line" > < a id = "l00296" name = "l00296" > < / a > < span class = "lineno" > 296< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00297" name = "l00297" > < / a > < span class = "lineno" > 297< / span > };< / div >
< / div >
< div class = "line" > < a id = "l00298" name = "l00298" > < / a > < span class = "lineno" > 298< / span > < / div >
< div class = "line" > < a id = "l00299" name = "l00299" > < / a > < span class = "lineno" > 299< / span > < span class = "keyword" > template< / span > < > < / div >
< div class = "foldopen" id = "foldopen00300" data-start = "{" data-end = "};" >
< div class = "line" > < a id = "l00300" name = "l00300" > < / a > < span class = "lineno" > < a class = "line" href = "structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_set_01_4.html" > 300< / a > < / span > < span class = "keyword" > struct < / span > hash< < a class = "code hl_namespace" href = "namespacegridfire.html" > gridfire< / a > ::reaction::ReactionSet> {< / div >
< div class = "foldopen" id = "foldopen00301" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00301" name = "l00301" > < / a > < span class = "lineno" > < a class = "line" href = "structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_set_01_4.html#a32b976b3e3e4e0403c1295f9b467e921" > 301< / a > < / span > < span class = "keywordtype" > size_t< / span > < a class = "code hl_function" href = "structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_set_01_4.html#a32b976b3e3e4e0403c1295f9b467e921" > operator()< / a > (< span class = "keyword" > const< / span > < a class = "code hl_typedef" href = "namespacegridfire_1_1reaction.html#ad838ce3fb6cc02c3fd90b924a0dd91b1" > gridfire::reaction::ReactionSet< / a > & s) < span class = "keyword" > const< / span > < span class = "keyword" > noexcept< / span > {< / div >
< div class = "line" > < a id = "l00302" name = "l00302" > < / a > < span class = "lineno" > 302< / span > < span class = "keywordflow" > return< / span > s.hash(0);< / div >
< div class = "line" > < a id = "l00303" name = "l00303" > < / a > < span class = "lineno" > 303< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00304" name = "l00304" > < / a > < span class = "lineno" > 304< / span > };< / div >
< / div >
< div class = "line" > < a id = "l00305" name = "l00305" > < / a > < span class = "lineno" > 305< / span > < / div >
< div class = "line" > < a id = "l00306" name = "l00306" > < / a > < span class = "lineno" > 306< / span > < span class = "keyword" > template< / span > < > < / div >
< div class = "foldopen" id = "foldopen00307" data-start = "{" data-end = "};" >
< div class = "line" > < a id = "l00307" name = "l00307" > < / a > < span class = "lineno" > < a class = "line" href = "structstd_1_1hash_3_01gridfire_1_1reaction_1_1_logical_reaction_set_01_4.html" > 307< / a > < / span > < span class = "keyword" > struct < / span > hash< < a class = "code hl_namespace" href = "namespacegridfire.html" > gridfire< / a > ::reaction::LogicalReactionSet> {< / div >
< div class = "foldopen" id = "foldopen00308" data-start = "{" data-end = "}" >
< div class = "line" > < a id = "l00308" name = "l00308" > < / a > < span class = "lineno" > < a class = "line" href = "structstd_1_1hash_3_01gridfire_1_1reaction_1_1_logical_reaction_set_01_4.html#a4b76e7119050266952ded94d6f0544cb" > 308< / a > < / span > < span class = "keywordtype" > size_t< / span > < a class = "code hl_function" href = "structstd_1_1hash_3_01gridfire_1_1reaction_1_1_logical_reaction_set_01_4.html#a4b76e7119050266952ded94d6f0544cb" > operator()< / a > (< span class = "keyword" > const< / span > < a class = "code hl_typedef" href = "namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31" > gridfire::reaction::LogicalReactionSet< / a > & s) < span class = "keyword" > const< / span > < span class = "keyword" > noexcept< / span > {< / div >
< div class = "line" > < a id = "l00309" name = "l00309" > < / a > < span class = "lineno" > 309< / span > < span class = "keywordflow" > return< / span > s.hash(0);< / div >
< div class = "line" > < a id = "l00310" name = "l00310" > < / a > < span class = "lineno" > 310< / span > }< / div >
< / div >
< div class = "line" > < a id = "l00311" name = "l00311" > < / a > < span class = "lineno" > 311< / span > };< / div >
< / div >
< div class = "line" > < a id = "l00312" name = "l00312" > < / a > < span class = "lineno" > 312< / span > } < span class = "comment" > // namespace std< / span > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_logical_reaction_html" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_logical_reaction.html" > gridfire::reaction::LogicalReaction< / a > < / div > < div class = "ttdoc" > Represents a " logical" reaction that aggregates rates from multiple sources.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00310" > reaction.h:310< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_logical_reaction_html_a14a24cb8ea25a1514134acc51197f1de" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a14a24cb8ea25a1514134acc51197f1de" > gridfire::reaction::LogicalReaction::add_reaction< / a > < / div > < div class = "ttdeci" > void add_reaction(const Reaction & reaction)< / div > < div class = "ttdoc" > Adds another Reaction source to this logical reaction.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00192" > reaction.cpp:192< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_logical_reaction_html_a1d2fb3b6a6a1860ace98b32447d1dd1b" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a1d2fb3b6a6a1860ace98b32447d1dd1b" > gridfire::reaction::LogicalReaction::calculate_rate< / a > < / div > < div class = "ttdeci" > double calculate_rate(const double T9) const override< / div > < div class = "ttdoc" > Calculates the total reaction rate by summing all source rates.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00214" > reaction.cpp:214< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_logical_reaction_html_a6965906ea33ebd0d615811219d9e9537" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a6965906ea33ebd0d615811219d9e9537" > gridfire::reaction::LogicalReaction::LogicalReaction< / a > < / div > < div class = "ttdeci" > LogicalReaction(const std::vector< Reaction > & reactions)< / div > < div class = "ttdoc" > Constructs a LogicalReaction from a vector of Reaction objects.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00163" > reaction.cpp:163< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_logical_reaction_html_a7fe91d24e20ebc76d612f6ad742f476f" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a7fe91d24e20ebc76d612f6ad742f476f" > gridfire::reaction::LogicalReaction::m_sources< / a > < / div > < div class = "ttdeci" > std::vector< std::string > m_sources< / div > < div class = "ttdoc" > List of source labels.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00372" > reaction.h:372< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_logical_reaction_html_a81f75f0085f8a5a45169f0b7240c809d" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_logical_reaction.html#a81f75f0085f8a5a45169f0b7240c809d" > gridfire::reaction::LogicalReaction::m_rates< / a > < / div > < div class = "ttdeci" > std::vector< RateCoefficientSet > m_rates< / div > < div class = "ttdoc" > List of rate coefficient sets from each source.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00373" > reaction.h:373< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_logical_reaction_html_aa4b8d0d30459f360ff6e29d848e943d5" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_logical_reaction.html#aa4b8d0d30459f360ff6e29d848e943d5" > gridfire::reaction::LogicalReaction::calculate_forward_rate_log_derivative< / a > < / div > < div class = "ttdeci" > virtual double calculate_forward_rate_log_derivative(const double T9) const override< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00218" > reaction.cpp:218< / a > < / div > < / div >
2025-07-01 11:40:51 -04:00
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html" > gridfire::reaction::Reaction< / a > < / div > < div class = "ttdoc" > Represents a single nuclear reaction from a specific data source.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00072" > reaction.h:72< / a > < / div > < / div >
2025-07-24 11:10:45 -04:00
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a0185c6be5465d113f25e00aee1297cd6" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a0185c6be5465d113f25e00aee1297cd6" > gridfire::reaction::Reaction::m_sourceLabel< / a > < / div > < div class = "ttdeci" > std::string m_sourceLabel< / div > < div class = "ttdoc" > Source label for the rate data (e.g., " wc12w" , " st08" ).< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00270" > reaction.h:270< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a01c67726efbaa2ff8e4d6f2c965f485c" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a01c67726efbaa2ff8e4d6f2c965f485c" > gridfire::reaction::Reaction::product_species< / a > < / div > < div class = "ttdeci" > std::unordered_set< fourdst::atomic::Species > product_species() const< / div > < div class = "ttdoc" > Gets a set of all unique product species.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00106" > reaction.cpp:106< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a074d3cd2421fd5d0133e47f0522403e2" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a074d3cd2421fd5d0133e47f0522403e2" > gridfire::reaction::Reaction::contains_product< / a > < / div > < div class = "ttdeci" > bool contains_product(const fourdst::atomic::Species & species) const< / div > < div class = "ttdoc" > Checks if the reaction involves a given species as a product.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00082" > reaction.cpp:82< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a084c38181408ed5e6fa2a2dd4d0ec905" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a084c38181408ed5e6fa2a2dd4d0ec905" > gridfire::reaction::Reaction::id< / a > < / div > < div class = "ttdeci" > std::string_view id() const< / div > < div class = "ttdoc" > Gets the unique identifier of the reaction.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00204" > reaction.h:204< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a0b0b9ac498080aae91ffd466d1ae85a9" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a0b0b9ac498080aae91ffd466d1ae85a9" > gridfire::reaction::Reaction::m_reverse< / a > < / div > < div class = "ttdeci" > bool m_reverse< / div > < div class = "ttdoc" > Flag indicating if this is a reverse reaction rate.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00272" > reaction.h:272< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a0b543e9b0bb4a21efe4b29780d9bdf5b" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a0b543e9b0bb4a21efe4b29780d9bdf5b" > gridfire::reaction::Reaction::reactants< / a > < / div > < div class = "ttdeci" > const std::vector< fourdst::atomic::Species > & reactants() const< / div > < div class = "ttdoc" > Gets the vector of reactant species.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00216" > reaction.h:216< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a16f9cbb6269817099d3dc07d4e63da7b" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a16f9cbb6269817099d3dc07d4e63da7b" > gridfire::reaction::Reaction::m_chapter< / a > < / div > < div class = "ttdeci" > int m_chapter< / div > < div class = "ttdoc" > Chapter number from the REACLIB database, defining the reaction structure.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00266" > reaction.h:266< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a1d3c8ab6d55155f9a21ad80ed8b9ef97" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a1d3c8ab6d55155f9a21ad80ed8b9ef97" > gridfire::reaction::Reaction::num_species< / a > < / div > < div class = "ttdeci" > size_t num_species() const< / div > < div class = "ttdoc" > Gets the number of unique species involved in the reaction.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00129" > reaction.cpp:129< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a3a8ba9212d76d5ce51f20df6892c6061" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a3a8ba9212d76d5ce51f20df6892c6061" > gridfire::reaction::Reaction::calculate_forward_rate_log_derivative< / a > < / div > < div class = "ttdeci" > virtual double calculate_forward_rate_log_derivative(const double T9) const< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00047" > reaction.cpp:47< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a410e2ab0784ad751f82bbe55be603db0" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a410e2ab0784ad751f82bbe55be603db0" > gridfire::reaction::Reaction::sourceLabel< / a > < / div > < div class = "ttdeci" > std::string_view sourceLabel() const< / div > < div class = "ttdoc" > Gets the source label for the rate data.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00134" > reaction.h:134< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a4b5607ed413acdf29539b8a57461e49e" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a4b5607ed413acdf29539b8a57461e49e" > gridfire::reaction::Reaction::m_products< / a > < / div > < div class = "ttdeci" > std::vector< fourdst::atomic::Species > m_products< / div > < div class = "ttdoc" > Products of the reaction.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00269" > reaction.h:269< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a59122a2898bb9af640cc3e9aeb49028b" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a59122a2898bb9af640cc3e9aeb49028b" > gridfire::reaction::Reaction::m_qValue< / a > < / div > < div class = "ttdeci" > double m_qValue< / div > < div class = "ttdoc" > Q-value of the reaction in MeV.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00267" > reaction.h:267< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a5c685e5a736b51799e5b9f6746c4126b" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a5c685e5a736b51799e5b9f6746c4126b" > gridfire::reaction::Reaction::m_id< / a > < / div > < div class = "ttdeci" > std::string m_id< / div > < div class = "ttdoc" > Unique identifier for the reaction (e.g., " h1+h1=> h2+e+nu" ).< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00264" > reaction.h:264< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a5cb438adfefb640e4bc58e09053bd629" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a5cb438adfefb640e4bc58e09053bd629" > gridfire::reaction::Reaction::chapter< / a > < / div > < div class = "ttdeci" > int chapter() const< / div > < div class = "ttdoc" > Gets the REACLIB chapter number.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00128" > reaction.h:128< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a6124aa9fc2306349e1dd879a37923248" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a6124aa9fc2306349e1dd879a37923248" > gridfire::reaction::Reaction::m_peName< / a > < / div > < div class = "ttdeci" > std::string m_peName< / div > < div class = "ttdoc" > Name of the reaction in (projectile, ejectile) notation (e.g. " p(p,g)d" ).< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00265" > reaction.h:265< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a6e2ff61b9e8409f2a561663628b8ce02" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a6e2ff61b9e8409f2a561663628b8ce02" > gridfire::reaction::Reaction::products< / a > < / div > < div class = "ttdeci" > const std::vector< fourdst::atomic::Species > & products() const< / div > < div class = "ttdoc" > Gets the vector of product species.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00222" > reaction.h:222< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a7044d0a1d59d85502ce554e4ec2167e4" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a7044d0a1d59d85502ce554e4ec2167e4" > gridfire::reaction::Reaction::m_logger< / a > < / div > < div class = "ttdeci" > quill::Logger * m_logger< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00263" > reaction.h:263< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a78f42664cc957e266b6cf15fda09be97" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a78f42664cc957e266b6cf15fda09be97" > gridfire::reaction::Reaction::peName< / a > < / div > < div class = "ttdeci" > virtual std::string_view peName() const< / div > < div class = "ttdoc" > Gets the reaction name in (projectile, ejectile) notation.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00122" > reaction.h:122< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a7dc8fda87e0581fde6da0a81cf4d7224" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a7dc8fda87e0581fde6da0a81cf4d7224" > gridfire::reaction::Reaction::all_species< / a > < / div > < div class = "ttdeci" > std::unordered_set< fourdst::atomic::Species > all_species() const< / div > < div class = "ttdoc" > Gets a set of all unique species involved in the reaction.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00091" > reaction.cpp:91< / a > < / div > < / div >
2025-07-01 07:24:18 -04:00
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a7dff19d387e771d96c26e98d75ee9d5c" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a7dff19d387e771d96c26e98d75ee9d5c" > gridfire::reaction::Reaction::Reaction< / a > < / div > < div class = "ttdeci" > Reaction(const std::string_view id, const std::string_view peName, const int chapter, const std::vector< fourdst::atomic::Species > & reactants, const std::vector< fourdst::atomic::Species > & products, const double qValue, const std::string_view label, const RateCoefficientSet & sets, const bool reverse=false)< / div > < div class = "ttdoc" > Constructs a Reaction object.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00019" > reaction.cpp:19< / a > < / div > < / div >
2025-07-24 11:10:45 -04:00
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a855ea65e4b62fb0cddc550424a4bc923" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a855ea65e4b62fb0cddc550424a4bc923" > gridfire::reaction::Reaction::reactant_species< / a > < / div > < div class = "ttdeci" > std::unordered_set< fourdst::atomic::Species > reactant_species() const< / div > < div class = "ttdoc" > Gets a set of all unique reactant species.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00098" > reaction.cpp:98< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a85968076e686e67763f4fdf4f72a892e" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a85968076e686e67763f4fdf4f72a892e" > gridfire::reaction::Reaction::rateCoefficients< / a > < / div > < div class = "ttdeci" > const RateCoefficientSet & rateCoefficients() const< / div > < div class = "ttdoc" > Gets the set of rate coefficients.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00140" > reaction.h:140< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_a87a065b3c7806bcdb5eadb7de2978a11" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#a87a065b3c7806bcdb5eadb7de2978a11" > gridfire::reaction::Reaction::m_reactants< / a > < / div > < div class = "ttdeci" > std::vector< fourdst::atomic::Species > m_reactants< / div > < div class = "ttdoc" > Reactants of the reaction.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00268" > reaction.h:268< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_aa1d71e38fc55ae691dbb9ec459a612a5" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#aa1d71e38fc55ae691dbb9ec459a612a5" > gridfire::reaction::Reaction::excess_energy< / a > < / div > < div class = "ttdeci" > double excess_energy() const< / div > < div class = "ttdoc" > Calculates the excess energy from the mass difference of reactants and products.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00144" > reaction.cpp:144< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_aa61a9a024d7c4ff66a351ccd0277ec72" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#aa61a9a024d7c4ff66a351ccd0277ec72" > gridfire::reaction::Reaction::m_rateCoefficients< / a > < / div > < div class = "ttdeci" > RateCoefficientSet m_rateCoefficients< / div > < div class = "ttdoc" > The seven rate coefficients.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00271" > reaction.h:271< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_aa67d05dfabf007c1acad34052d9a1dba" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#aa67d05dfabf007c1acad34052d9a1dba" > gridfire::reaction::Reaction::is_reverse< / a > < / div > < div class = "ttdeci" > bool is_reverse() const< / div > < div class = "ttdoc" > Checks if this is a reverse reaction rate.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00228" > reaction.h:228< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_ab92785f331a446e51a0960b75d60b37b" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#ab92785f331a446e51a0960b75d60b37b" > gridfire::reaction::Reaction::contains< / a > < / div > < div class = "ttdeci" > bool contains(const fourdst::atomic::Species & species) const< / div > < div class = "ttdoc" > Checks if the reaction involves a given species as a reactant or product.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00068" > reaction.cpp:68< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_abbe243affa61ba9b2cd2a7b905cd5e45" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#abbe243affa61ba9b2cd2a7b905cd5e45" > gridfire::reaction::Reaction::contains_reactant< / a > < / div > < div class = "ttdeci" > bool contains_reactant(const fourdst::atomic::Species & species) const< / div > < div class = "ttdoc" > Checks if the reaction involves a given species as a reactant.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00073" > reaction.cpp:73< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_abda0b4e4313e6d4ba57acf37d5976fb8" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#abda0b4e4313e6d4ba57acf37d5976fb8" > gridfire::reaction::Reaction::qValue< / a > < / div > < div class = "ttdeci" > double qValue() const< / div > < div class = "ttdoc" > Gets the Q-value of the reaction.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00210" > reaction.h:210< / a > < / div > < / div >
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_ad359c06d7196c1a7a955a7b66a51dbe3" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#ad359c06d7196c1a7a955a7b66a51dbe3" > gridfire::reaction::Reaction::stoichiometry< / a > < / div > < div class = "ttdeci" > std::unordered_map< fourdst::atomic::Species, int > stoichiometry() const< / div > < div class = "ttdoc" > Gets a map of all species to their stoichiometric coefficients.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00133" > reaction.cpp:133< / a > < / div > < / div >
2025-07-01 07:24:18 -04:00
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_ad81e9b2a1773470059ca6989c60556ec" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#ad81e9b2a1773470059ca6989c60556ec" > gridfire::reaction::Reaction::calculate_rate< / a > < / div > < div class = "ttdeci" > virtual double calculate_rate(const double T9) const< / div > < div class = "ttdoc" > Calculates the reaction rate for a given temperature.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00039" > reaction.cpp:39< / a > < / div > < / div >
2025-07-24 11:10:45 -04:00
< div class = "ttc" id = "aclassgridfire_1_1reaction_1_1_reaction_html_af6c20e6d03a2d9f87632f71a90b88cb5" > < div class = "ttname" > < a href = "classgridfire_1_1reaction_1_1_reaction.html#af6c20e6d03a2d9f87632f71a90b88cb5" > gridfire::reaction::Reaction::hash< / a > < / div > < div class = "ttdeci" > uint64_t hash(uint64_t seed=0) const< / div > < div class = "ttdoc" > Computes a hash for the reaction based on its ID.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00157" > reaction.cpp:157< / a > < / div > < / div >
2025-07-01 11:40:51 -04:00
< div class = "ttc" id = "anamespacegridfire_1_1reaction_html" > < div class = "ttname" > < a href = "namespacegridfire_1_1reaction.html" > gridfire::reaction< / a > < / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00025" > reaction.h:25< / a > < / div > < / div >
2025-07-24 11:10:45 -04:00
< div class = "ttc" id = "anamespacegridfire_1_1reaction_html_aa86f08712565f278adacc7cd2361eb31" > < div class = "ttname" > < a href = "namespacegridfire_1_1reaction.html#aa86f08712565f278adacc7cd2361eb31" > gridfire::reaction::LogicalReactionSet< / a > < / div > < div class = "ttdeci" > TemplatedReactionSet< LogicalReaction > LogicalReactionSet< / div > < div class = "ttdoc" > A set of logical reactions.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00563" > reaction.h:563< / a > < / div > < / div >
< div class = "ttc" id = "anamespacegridfire_1_1reaction_html_abfcfafc0cda0c3ed56930a12e7ead67f" > < div class = "ttname" > < a href = "namespacegridfire_1_1reaction.html#abfcfafc0cda0c3ed56930a12e7ead67f" > gridfire::reaction::packReactionSetToLogicalReactionSet< / a > < / div > < div class = "ttdeci" > LogicalReactionSet packReactionSetToLogicalReactionSet(const ReactionSet & reactionSet)< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00273" > reaction.cpp:273< / a > < / div > < / div >
< div class = "ttc" id = "anamespacegridfire_1_1reaction_html_ad838ce3fb6cc02c3fd90b924a0dd91b1" > < div class = "ttname" > < a href = "namespacegridfire_1_1reaction.html#ad838ce3fb6cc02c3fd90b924a0dd91b1" > gridfire::reaction::ReactionSet< / a > < / div > < div class = "ttdeci" > TemplatedReactionSet< Reaction > ReactionSet< / div > < div class = "ttdoc" > A set of reactions, typically from a single source like REACLIB.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00562" > reaction.h:562< / a > < / div > < / div >
< div class = "ttc" id = "anamespacegridfire_html" > < div class = "ttname" > < a href = "namespacegridfire.html" > gridfire< / a > < / div > < div class = "ttdef" > < b > Definition< / b > < a href = "engine__abstract_8h_source.html#l00031" > engine_abstract.h:31< / a > < / div > < / div >
2025-07-01 07:24:18 -04:00
< div class = "ttc" id = "anamespacestd_html" > < div class = "ttname" > < a href = "namespacestd.html" > std< / a > < / div > < div class = "ttdoc" > STL namespace.< / div > < / div >
< div class = "ttc" id = "areaction_8h_html" > < div class = "ttname" > < a href = "reaction_8h.html" > reaction.h< / a > < / div > < div class = "ttdoc" > Defines classes for representing and managing nuclear reactions.< / div > < / div >
2025-07-01 11:40:51 -04:00
< div class = "ttc" id = "astructgridfire_1_1reaction_1_1_rate_coefficient_set_html" > < div class = "ttname" > < a href = "structgridfire_1_1reaction_1_1_rate_coefficient_set.html" > gridfire::reaction::RateCoefficientSet< / a > < / div > < div class = "ttdoc" > Holds the seven coefficients for the REACLIB rate equation.< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "reaction_8h_source.html#l00033" > reaction.h:33< / a > < / div > < / div >
2025-07-24 11:10:45 -04:00
< div class = "ttc" id = "astructstd_1_1hash_3_01gridfire_1_1reaction_1_1_logical_reaction_set_01_4_html_a4b76e7119050266952ded94d6f0544cb" > < div class = "ttname" > < a href = "structstd_1_1hash_3_01gridfire_1_1reaction_1_1_logical_reaction_set_01_4.html#a4b76e7119050266952ded94d6f0544cb" > std::hash< gridfire::reaction::LogicalReactionSet > ::operator()< / a > < / div > < div class = "ttdeci" > size_t operator()(const gridfire::reaction::LogicalReactionSet & s) const noexcept< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00308" > reaction.cpp:308< / a > < / div > < / div >
< div class = "ttc" id = "astructstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_01_4_html_a48224b63a80690e4f0620f1312be5dd9" > < div class = "ttname" > < a href = "structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_01_4.html#a48224b63a80690e4f0620f1312be5dd9" > std::hash< gridfire::reaction::Reaction > ::operator()< / a > < / div > < div class = "ttdeci" > size_t operator()(const gridfire::reaction::Reaction & r) const noexcept< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00294" > reaction.cpp:294< / a > < / div > < / div >
< div class = "ttc" id = "astructstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_set_01_4_html_a32b976b3e3e4e0403c1295f9b467e921" > < div class = "ttname" > < a href = "structstd_1_1hash_3_01gridfire_1_1reaction_1_1_reaction_set_01_4.html#a32b976b3e3e4e0403c1295f9b467e921" > std::hash< gridfire::reaction::ReactionSet > ::operator()< / a > < / div > < div class = "ttdeci" > size_t operator()(const gridfire::reaction::ReactionSet & s) const noexcept< / div > < div class = "ttdef" > < b > Definition< / b > < a href = "#l00301" > reaction.cpp:301< / a > < / div > < / div >
2025-07-01 07:24:18 -04:00
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2025-07-24 11:10:45 -04:00
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2025-07-01 07:24:18 -04:00
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