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Make sure all reaction names are recognized as valid tally scores

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This commit is contained in:
Paul Romano 2020-08-27 10:28:11 -05:00
parent bf34c4bcad
commit 70d463d46c
3 changed files with 151 additions and 209 deletions
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163
src/reaction.cpp
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@ -87,7 +87,7 @@ Reaction::Reaction(hid_t group, const std::vector<int>& temperatures)
// Non-member functions
//==============================================================================
const std::unordered_map<int, std::string> REACTION_NAME_MAP {
std::unordered_map<int, std::string> REACTION_NAME_MAP {
{SCORE_FLUX, "flux"},
{SCORE_TOTAL, "total"},
{SCORE_SCATTER, "scatter"},
@ -150,6 +150,55 @@ const std::unordered_map<int, std::string> REACTION_NAME_MAP {
{N_PD, "(n,pd)"},
{N_PT, "(n,pt)"},
{N_DA, "(n,da)"},
{N_5N, "(n,5n)"},
{N_6N, "(n,6n)"},
{N_2NT, "(n,2nt)"},
{N_TA, "(n,ta)"},
{N_4NP, "(n,4np)"},
{N_3ND, "(n,3nd)"},
{N_NDA, "(n,nda)"},
{N_2NPA, "(n,2npa)"},
{N_7N, "(n,7n)"},
{N_8N, "(n,8n)"},
{N_5NP, "(n,5np)"},
{N_6NP, "(n,6np)"},
{N_7NP, "(n,7np)"},
{N_4NA, "(n,4na)"},
{N_5NA, "(n,5na)"},
{N_6NA, "(n,6na)"},
{N_7NA, "(n,7na)"},
{N_4ND, "(n,4nd)"},
{N_5ND, "(n,5nd)"},
{N_6ND, "(n,6nd)"},
{N_3NT, "(n,3nt)"},
{N_4NT, "(n,4nt)"},
{N_5NT, "(n,5nt)"},
{N_6NT, "(n,6nt)"},
{N_2N3HE, "(n,2n3He)"},
{N_3N3HE, "(n,3n3He)"},
{N_4N3HE, "(n,4n3He)"},
{N_3N2P, "(n,3n2p)"},
{N_3N3A, "(n,3n3a)"},
{N_3NPA, "(n,3npa)"},
{N_DT, "(n,dt)"},
{N_NPD, "(n,npd)"},
{N_NPT, "(n,npt)"},
{N_NDT, "(n,ndt)"},
{N_NP3HE, "(n,np3He)"},
{N_ND3HE, "(n,nd3He)"},
{N_NT3HE, "(n,nt3He)"},
{N_NTA, "(n,nta)"},
{N_2N2P, "(n,2n2p)"},
{N_P3HE, "(n,p3He)"},
{N_D3HE, "(n,d3He)"},
{N_3HEA, "(n,3Hea)"},
{N_4N2P, "(n,4n2p)"},
{N_4N2A, "(n,4n2a)"},
{N_4NPA, "(n,4npa)"},
{N_3P, "(n,3p)"},
{N_N3P, "(n,n3p)"},
{N_3N2PA, "(n,3n2pa)"},
{N_5N2P, "(n,5n2p)"},
{201, "(n,Xn)"},
{202, "(n,Xgamma)"},
{N_XP, "(n,Xp)"},
@ -174,32 +223,98 @@ const std::unordered_map<int, std::string> REACTION_NAME_MAP {
{HEATING_LOCAL, "heating-local"},
};
std::string reaction_name(int mt)
std::unordered_map<std::string, int> REACTION_TYPE_MAP;
void initialize_maps()
{
if (N_N1 <= mt && mt <= N_N40) {
return fmt::format("(n,n{})", mt - 50);
} else if (534 <= mt && mt <= 572) {
return fmt::format("photoelectric, {} subshell", SUBSHELLS[mt - 534]);
} else if (N_P0 <= mt && mt < N_PC) {
return fmt::format("(n,p{})", mt - N_P0);
} else if (N_D0 <= mt && mt < N_DC) {
return fmt::format("(n,d{})", mt - N_D0);
} else if (N_T0 <= mt && mt < N_TC) {
return fmt::format("(n,t{})", mt - N_T0);
} else if (N_3HE0 <= mt && mt < N_3HEC) {
return fmt::format("(n,3He{})", mt - N_3HE0);
} else if (N_A0 <= mt && mt < N_AC) {
return fmt::format("(n,a{})", mt - N_A0);
} else if (N_2N0 <= mt && mt < N_2NC) {
return fmt::format("(n,2n{})", mt - N_2N0);
} else {
auto it = REACTION_NAME_MAP.find(mt);
if (it != REACTION_NAME_MAP.end()) {
return it->second;
} else {
return fmt::format("MT={}", mt);
// Add level reactions to name map
for (int level = 0; level <= 48; ++level) {
if (level >= 1 && level <= 40) {
REACTION_NAME_MAP[50 + level] = fmt::format("(n,n{})", level);
}
REACTION_NAME_MAP[600 + level] = fmt::format("(n,p{})", level);
REACTION_NAME_MAP[650 + level] = fmt::format("(n,d{})", level);
REACTION_NAME_MAP[700 + level] = fmt::format("(n,t{})", level);
REACTION_NAME_MAP[750 + level] = fmt::format("(n,3He{})", level);
REACTION_NAME_MAP[800 + level] = fmt::format("(n,a{})", level);
if (level <= 15) {
REACTION_NAME_MAP[875 + level] = fmt::format("(n,a{})", level);
}
}
// Create photoelectric subshells
for (int mt = 534; mt <= 572; ++mt) {
REACTION_NAME_MAP[mt] = fmt::format("photoelectric, {} subshell",
SUBSHELLS[mt - 534]);
}
// Invert name map to create type map
for (const auto& kv : REACTION_NAME_MAP) {
REACTION_TYPE_MAP[kv.second] = kv.first;
}
}
std::string reaction_name(int mt)
{
// Initialize remainder of name map and all of type map
if (REACTION_TYPE_MAP.empty()) initialize_maps();
// Get reaction name from map
auto it = REACTION_NAME_MAP.find(mt);
if (it != REACTION_NAME_MAP.end()) {
return it->second;
} else {
return fmt::format("MT={}", mt);
}
}
int reaction_type(std::string name)
{
// Initialize remainder of name map and all of type map
if (REACTION_TYPE_MAP.empty()) initialize_maps();
// Check if type map has an entry for this reaction name
auto it = REACTION_TYPE_MAP.find(name);
if (it != REACTION_TYPE_MAP.end()) {
return it->second;
}
// Alternate names for several reactions
if (name == "(n,total)") {
return SCORE_TOTAL;
} else if (name == "elastic") {
return ELASTIC;
} else if (name == "n2n") {
return N_2N;
} else if (name == "n3n") {
return N_3N;
} else if (name == "n4n") {
return N_4N;
} else if (name == "H1-production") {
return N_XP;
} else if (name == "H2-production") {
return N_XD;
} else if (name == "H3-production") {
return N_XT;
} else if (name == "He3-production") {
return N_X3HE;
} else if (name == "He4-production") {
return N_XA;
}
// Assume the given string is a reaction MT number. Make sure it's a natural
// number then return.
int MT = 0;
try {
MT = std::stoi(name);
} catch (const std::invalid_argument& ex) {
throw std::invalid_argument("Invalid tally score \"" + name + "\". See the docs "
"for details: https://docs.openmc.org/en/stable/usersguide/tallies.html#scores");
}
if (MT < 1)
throw std::invalid_argument("Invalid tally score \"" + name + "\". See the docs "
"for details: https://docs.openmc.org/en/stable/usersguide/tallies.html#scores");
return MT;
}
} // namespace openmc