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feat(composition): added map overloads

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This commit is contained in:
Emily Boudreaux
2025-11-25 11:27:45 -05:00
parent 408dd71eee
commit 522d766bc2
6 changed files with 297 additions and 4 deletions
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113
src/composition/lib/utils.cpp
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@@ -68,7 +68,17 @@ namespace fourdst::composition {
}
Composition buildCompositionFromMassFractions(const std::vector<atomic::Species> &species, const std::vector<double> &massFractions) {
return buildCompositionFromMassFractions(std::set<atomic::Species>(species.begin(), species.end()), massFractions);
std::set<atomic::Species> speciesSet(species.begin(), species.end());
std::vector<double> sortedMassFractions;
sortedMassFractions.resize(massFractions.size());
for (const auto& [s, xi] : std::views::zip(species, massFractions)) {
const size_t index = std::distance(speciesSet.begin(), speciesSet.find(s));
assert (index < sortedMassFractions.size());
sortedMassFractions[index] = xi;
}
return buildCompositionFromMassFractions(speciesSet, sortedMassFractions);
}
Composition buildCompositionFromMassFractions(const std::vector<std::string> &symbols, const std::vector<double> &massFractions) {
@@ -80,6 +90,107 @@ namespace fourdst::composition {
}
species.insert(result.value());
}
std::vector<double> sortedMassFractions(massFractions.size());
for (const auto& [symbol, xi] : std::views::zip(symbols, massFractions)) {
auto result = getSpecies(symbol);
if (!result) {
throw_unknown_symbol(symbol);
}
const size_t index = std::distance(species.begin(), species.find(result.value()));
assert (index < sortedMassFractions.size());
sortedMassFractions[index] = xi;
}
return buildCompositionFromMassFractions(species, sortedMassFractions);
}
Composition buildCompositionFromMassFractions(const std::unordered_map<atomic::Species, double>& massFractionsMap) {
std::set<atomic::Species> species;
std::vector<double> massFractions;
massFractions.reserve(massFractionsMap.size());
for (const auto &sp: massFractionsMap | std::views::keys) {
species.insert(sp);
}
massFractions.resize(massFractionsMap.size());
for (const auto& [sp, xi] : massFractionsMap) {
const size_t index = std::distance(species.begin(), species.find(sp));
assert (index < massFractions.size());
massFractions[index] = xi;
}
return buildCompositionFromMassFractions(species, massFractions);
}
Composition buildCompositionFromMassFractions(std::map<atomic::Species, double> massFractions) {
std::set<atomic::Species> species;
std::vector<double> massFractionVector;
massFractionVector.reserve(massFractions.size());
for (const auto& [sp, xi] : massFractions) {
species.insert(sp);
massFractionVector.push_back(xi);
}
return buildCompositionFromMassFractions(species, massFractionVector);
}
Composition buildCompositionFromMassFractions(std::map<std::string, double> massFractions) {
std::set<atomic::Species> species;
std::vector<double> massFractionVector;
for (const auto &symbol: massFractions | std::views::keys) {
auto result = getSpecies(symbol);
if (!result) {
throw_unknown_symbol(symbol);
}
species.insert(result.value());
}
massFractionVector.resize(massFractions.size());
for (const auto& [symbol, xi] : massFractions) {
auto result = getSpecies(symbol);
if (!result) {
throw_unknown_symbol(symbol);
}
const size_t index = std::distance(species.begin(), species.find(result.value()));
assert (index < massFractionVector.size());
massFractionVector[index] = xi;
}
return buildCompositionFromMassFractions(species, massFractionVector);
}
Composition buildCompositionFromMassFractions(const std::unordered_map<std::string, double>& massFractions) {
std::set<atomic::Species> species;
std::vector<double> massFractionVector;
for (const auto &symbol: massFractions | std::views::keys) {
auto result = getSpecies(symbol);
if (!result) {
throw_unknown_symbol(symbol);
}
species.insert(result.value());
}
massFractionVector.resize(massFractions.size());
for (const auto& [sp, xi] : massFractions) {
auto result = getSpecies(sp);
if (!result) {
throw_unknown_symbol(sp);
}
const size_t index = std::distance(species.begin(), species.find(result.value()));
assert (index < massFractionVector.size());
massFractionVector[index] = xi;
}
return buildCompositionFromMassFractions(species, massFractionVector);
}
}