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https://github.com/openmc-dev/openmc.git
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Make sure all reaction names are recognized as valid tally scores
This commit is contained in:
Paul Romano
parent
bf34c4bcad
commit
70d463d46c
3 changed files with 151 additions and 209 deletions
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@ -44,8 +44,18 @@ public:
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// Non-member functions
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//==============================================================================
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//! Return reaction name given an ENDF MT value
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//
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//! \param[in] mt ENDF MT value
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//! \return Name of the corresponding reaction
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std::string reaction_name(int mt);
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//! Return reaction type (MT value) given a reaction name
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//
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//! \param[in] name Reaction name
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//! \return Corresponding reaction type (MT value)
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int reaction_type(std::string name);
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} // namespace openmc
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#endif // OPENMC_REACTION_H
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163
src/reaction.cpp
163
src/reaction.cpp
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@ -87,7 +87,7 @@ Reaction::Reaction(hid_t group, const std::vector<int>& temperatures)
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// Non-member functions
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//==============================================================================
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const std::unordered_map<int, std::string> REACTION_NAME_MAP {
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std::unordered_map<int, std::string> REACTION_NAME_MAP {
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{SCORE_FLUX, "flux"},
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{SCORE_TOTAL, "total"},
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{SCORE_SCATTER, "scatter"},
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@ -150,6 +150,55 @@ const std::unordered_map<int, std::string> REACTION_NAME_MAP {
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{N_PD, "(n,pd)"},
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{N_PT, "(n,pt)"},
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{N_DA, "(n,da)"},
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{N_5N, "(n,5n)"},
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{N_6N, "(n,6n)"},
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{N_2NT, "(n,2nt)"},
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{N_TA, "(n,ta)"},
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{N_4NP, "(n,4np)"},
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{N_3ND, "(n,3nd)"},
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{N_NDA, "(n,nda)"},
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{N_2NPA, "(n,2npa)"},
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{N_7N, "(n,7n)"},
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{N_8N, "(n,8n)"},
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{N_5NP, "(n,5np)"},
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{N_6NP, "(n,6np)"},
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{N_7NP, "(n,7np)"},
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{N_4NA, "(n,4na)"},
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{N_5NA, "(n,5na)"},
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{N_6NA, "(n,6na)"},
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{N_7NA, "(n,7na)"},
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{N_4ND, "(n,4nd)"},
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{N_5ND, "(n,5nd)"},
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{N_6ND, "(n,6nd)"},
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{N_3NT, "(n,3nt)"},
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{N_4NT, "(n,4nt)"},
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{N_5NT, "(n,5nt)"},
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{N_6NT, "(n,6nt)"},
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{N_2N3HE, "(n,2n3He)"},
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{N_3N3HE, "(n,3n3He)"},
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{N_4N3HE, "(n,4n3He)"},
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{N_3N2P, "(n,3n2p)"},
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{N_3N3A, "(n,3n3a)"},
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{N_3NPA, "(n,3npa)"},
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{N_DT, "(n,dt)"},
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{N_NPD, "(n,npd)"},
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{N_NPT, "(n,npt)"},
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{N_NDT, "(n,ndt)"},
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{N_NP3HE, "(n,np3He)"},
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{N_ND3HE, "(n,nd3He)"},
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{N_NT3HE, "(n,nt3He)"},
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{N_NTA, "(n,nta)"},
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{N_2N2P, "(n,2n2p)"},
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{N_P3HE, "(n,p3He)"},
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{N_D3HE, "(n,d3He)"},
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{N_3HEA, "(n,3Hea)"},
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{N_4N2P, "(n,4n2p)"},
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{N_4N2A, "(n,4n2a)"},
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{N_4NPA, "(n,4npa)"},
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{N_3P, "(n,3p)"},
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{N_N3P, "(n,n3p)"},
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{N_3N2PA, "(n,3n2pa)"},
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{N_5N2P, "(n,5n2p)"},
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{201, "(n,Xn)"},
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{202, "(n,Xgamma)"},
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{N_XP, "(n,Xp)"},
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@ -174,32 +223,98 @@ const std::unordered_map<int, std::string> REACTION_NAME_MAP {
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{HEATING_LOCAL, "heating-local"},
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};
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std::string reaction_name(int mt)
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std::unordered_map<std::string, int> REACTION_TYPE_MAP;
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void initialize_maps()
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{
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if (N_N1 <= mt && mt <= N_N40) {
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return fmt::format("(n,n{})", mt - 50);
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} else if (534 <= mt && mt <= 572) {
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return fmt::format("photoelectric, {} subshell", SUBSHELLS[mt - 534]);
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} else if (N_P0 <= mt && mt < N_PC) {
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return fmt::format("(n,p{})", mt - N_P0);
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} else if (N_D0 <= mt && mt < N_DC) {
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return fmt::format("(n,d{})", mt - N_D0);
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} else if (N_T0 <= mt && mt < N_TC) {
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return fmt::format("(n,t{})", mt - N_T0);
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} else if (N_3HE0 <= mt && mt < N_3HEC) {
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return fmt::format("(n,3He{})", mt - N_3HE0);
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} else if (N_A0 <= mt && mt < N_AC) {
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return fmt::format("(n,a{})", mt - N_A0);
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} else if (N_2N0 <= mt && mt < N_2NC) {
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return fmt::format("(n,2n{})", mt - N_2N0);
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} else {
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auto it = REACTION_NAME_MAP.find(mt);
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if (it != REACTION_NAME_MAP.end()) {
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return it->second;
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} else {
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return fmt::format("MT={}", mt);
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// Add level reactions to name map
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for (int level = 0; level <= 48; ++level) {
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if (level >= 1 && level <= 40) {
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REACTION_NAME_MAP[50 + level] = fmt::format("(n,n{})", level);
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}
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REACTION_NAME_MAP[600 + level] = fmt::format("(n,p{})", level);
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REACTION_NAME_MAP[650 + level] = fmt::format("(n,d{})", level);
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REACTION_NAME_MAP[700 + level] = fmt::format("(n,t{})", level);
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REACTION_NAME_MAP[750 + level] = fmt::format("(n,3He{})", level);
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REACTION_NAME_MAP[800 + level] = fmt::format("(n,a{})", level);
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if (level <= 15) {
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REACTION_NAME_MAP[875 + level] = fmt::format("(n,a{})", level);
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}
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}
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// Create photoelectric subshells
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for (int mt = 534; mt <= 572; ++mt) {
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REACTION_NAME_MAP[mt] = fmt::format("photoelectric, {} subshell",
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SUBSHELLS[mt - 534]);
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}
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// Invert name map to create type map
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for (const auto& kv : REACTION_NAME_MAP) {
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REACTION_TYPE_MAP[kv.second] = kv.first;
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}
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}
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std::string reaction_name(int mt)
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{
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// Initialize remainder of name map and all of type map
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if (REACTION_TYPE_MAP.empty()) initialize_maps();
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// Get reaction name from map
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auto it = REACTION_NAME_MAP.find(mt);
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if (it != REACTION_NAME_MAP.end()) {
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return it->second;
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} else {
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return fmt::format("MT={}", mt);
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}
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}
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int reaction_type(std::string name)
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{
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// Initialize remainder of name map and all of type map
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if (REACTION_TYPE_MAP.empty()) initialize_maps();
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// Check if type map has an entry for this reaction name
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auto it = REACTION_TYPE_MAP.find(name);
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if (it != REACTION_TYPE_MAP.end()) {
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return it->second;
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}
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// Alternate names for several reactions
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if (name == "(n,total)") {
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return SCORE_TOTAL;
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} else if (name == "elastic") {
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return ELASTIC;
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} else if (name == "n2n") {
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return N_2N;
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} else if (name == "n3n") {
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return N_3N;
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} else if (name == "n4n") {
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return N_4N;
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} else if (name == "H1-production") {
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return N_XP;
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} else if (name == "H2-production") {
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return N_XD;
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} else if (name == "H3-production") {
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return N_XT;
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} else if (name == "He3-production") {
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return N_X3HE;
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} else if (name == "He4-production") {
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return N_XA;
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}
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// Assume the given string is a reaction MT number. Make sure it's a natural
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// number then return.
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int MT = 0;
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try {
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MT = std::stoi(name);
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} catch (const std::invalid_argument& ex) {
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throw std::invalid_argument("Invalid tally score \"" + name + "\". See the docs "
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"for details: https://docs.openmc.org/en/stable/usersguide/tallies.html#scores");
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}
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if (MT < 1)
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throw std::invalid_argument("Invalid tally score \"" + name + "\". See the docs "
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"for details: https://docs.openmc.org/en/stable/usersguide/tallies.html#scores");
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return MT;
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}
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} // namespace openmc
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@ -65,190 +65,6 @@ double global_tally_collision;
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double global_tally_tracklength;
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double global_tally_leakage;
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int
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score_str_to_int(std::string score_str)
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{
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if (score_str == "flux")
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return SCORE_FLUX;
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if (score_str == "total" || score_str == "(n,total)")
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return SCORE_TOTAL;
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if (score_str == "scatter")
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return SCORE_SCATTER;
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if (score_str == "nu-scatter")
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return SCORE_NU_SCATTER;
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if (score_str == "absorption")
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return SCORE_ABSORPTION;
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if (score_str == "fission" || score_str == "18")
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return SCORE_FISSION;
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if (score_str == "nu-fission")
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return SCORE_NU_FISSION;
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if (score_str == "decay-rate")
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return SCORE_DECAY_RATE;
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if (score_str == "delayed-nu-fission")
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return SCORE_DELAYED_NU_FISSION;
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if (score_str == "prompt-nu-fission")
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return SCORE_PROMPT_NU_FISSION;
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if (score_str == "kappa-fission")
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return SCORE_KAPPA_FISSION;
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if (score_str == "inverse-velocity")
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return SCORE_INVERSE_VELOCITY;
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if (score_str == "fission-q-prompt")
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return SCORE_FISS_Q_PROMPT;
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if (score_str == "fission-q-recoverable")
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return SCORE_FISS_Q_RECOV;
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if (score_str == "heating")
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return HEATING;
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if (score_str == "heating-local")
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return HEATING_LOCAL;
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if (score_str == "current")
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return SCORE_CURRENT;
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if (score_str == "events")
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return SCORE_EVENTS;
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if (score_str == "elastic" || score_str == "(n,elastic)")
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return ELASTIC;
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if (score_str == "n2n" || score_str == "(n,2n)")
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return N_2N;
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if (score_str == "n3n" || score_str == "(n,3n)")
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return N_3N;
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if (score_str == "n4n" || score_str == "(n,4n)")
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return N_4N;
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if (score_str == "(n,2nd)")
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return N_2ND;
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if (score_str == "(n,na)")
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return N_2NA;
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if (score_str == "(n,n3a)")
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return N_N3A;
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if (score_str == "(n,2na)")
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return N_2NA;
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if (score_str == "(n,3na)")
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return N_3NA;
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if (score_str == "(n,np)")
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return N_NP;
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if (score_str == "(n,n2a)")
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return N_N2A;
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if (score_str == "(n,2n2a)")
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return N_2N2A;
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if (score_str == "(n,nd)")
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return N_ND;
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if (score_str == "(n,nt)")
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return N_NT;
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if (score_str == "(n,n3He)")
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return N_N3HE;
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if (score_str == "(n,nd2a)")
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return N_ND2A;
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if (score_str == "(n,nt2a)")
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return N_NT2A;
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if (score_str == "(n,3nf)")
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return N_3NF;
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if (score_str == "(n,2np)")
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return N_2NP;
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if (score_str == "(n,3np)")
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return N_3NP;
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if (score_str == "(n,n2p)")
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return N_N2P;
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if (score_str == "(n,npa)")
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return N_NPA;
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if (score_str == "(n,n1)")
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return N_N1;
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if (score_str == "(n,nc)")
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return N_NC;
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if (score_str == "(n,gamma)")
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return N_GAMMA;
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if (score_str == "(n,p)")
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return N_P;
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if (score_str == "(n,d)")
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return N_D;
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if (score_str == "(n,t)")
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return N_T;
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if (score_str == "(n,3He)")
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return N_3HE;
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if (score_str == "(n,a)")
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return N_A;
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if (score_str == "(n,2a)")
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return N_2A;
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if (score_str == "(n,3a)")
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return N_3A;
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if (score_str == "(n,2p)")
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return N_2P;
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if (score_str == "(n,pa)")
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return N_PA;
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if (score_str == "(n,t2a)")
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return N_T2A;
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if (score_str == "(n,d2a)")
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return N_D2A;
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if (score_str == "(n,pd)")
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return N_PD;
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if (score_str == "(n,pt)")
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return N_PT;
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if (score_str == "(n,da)")
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return N_DA;
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if (score_str == "(n,Xp)" || score_str == "H1-production")
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return N_XP;
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if (score_str == "(n,Xd)" || score_str == "H2-production")
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return N_XD;
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if (score_str == "(n,Xt)" || score_str == "H3-production")
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return N_XT;
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if (score_str == "(n,X3He)" || score_str == "He3-production")
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return N_X3HE;
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if (score_str == "(n,Xa)" || score_str == "He4-production")
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return N_XA;
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if (score_str == "damage-energy")
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return DAMAGE_ENERGY;
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if (score_str == "coherent-scatter")
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return COHERENT;
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if (score_str == "incoherent-scatter")
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return INCOHERENT;
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if (score_str == "pair-production")
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return PAIR_PROD;
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if (score_str == "photoelectric")
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return PHOTOELECTRIC;
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// So far we have not identified this score string. Check to see if it is a
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// deprecated score.
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if (score_str.rfind("scatter-", 0) == 0
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|| score_str.rfind("nu-scatter-", 0) == 0
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|| score_str.rfind("total-y", 0) == 0
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|| score_str.rfind("flux-y", 0) == 0)
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fatal_error(score_str + " is no longer an available score");
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// Assume the given string is a reaction MT number. Make sure it's a natural
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// number then return.
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int MT;
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try {
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MT = std::stoi(score_str);
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} catch (const std::invalid_argument& ex) {
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throw std::invalid_argument("Invalid tally score \"" + score_str + "\". See the docs "
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"for details: https://docs.openmc.org/en/stable/usersguide/tallies.html#scores");
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}
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if (MT < 1)
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throw std::invalid_argument("Invalid tally score \"" + score_str + "\". See the docs "
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"for details: https://docs.openmc.org/en/stable/usersguide/tallies.html#scores");
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return MT;
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}
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//==============================================================================
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// Tally object implementation
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//==============================================================================
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@ -594,7 +410,8 @@ Tally::set_scores(const std::vector<std::string>& scores)
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fatal_error("Cannot tally " + score_str + "with a delayedgroup filter");
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}
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auto score = score_str_to_int(score_str);
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// Determine integer code for score
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int score = reaction_type(score_str);
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switch (score) {
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case SCORE_FLUX:
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