feat(MaskedComposition): added MaskedComposition to libcomposition
MaskedComposition is a generally useful decorator, therefore instead of forcing callers to impliment it on their own, we have implimented it as part of libcomposition
This commit is contained in:
216
src/composition/lib/decorators/composition_masked.cpp
Normal file
216
src/composition/lib/decorators/composition_masked.cpp
Normal file
@@ -0,0 +1,216 @@
|
||||
#include "fourdst/composition/decorators/composition_masked.h"
|
||||
|
||||
#include "fourdst/atomic/species.h"
|
||||
|
||||
namespace fourdst::composition {
|
||||
MaskedComposition::MaskedComposition(
|
||||
const CompositionAbstract& baseComposition,
|
||||
const std::set<atomic::Species>& activeSpecies
|
||||
) :
|
||||
CompositionDecorator(baseComposition.clone()),
|
||||
m_activeSpecies(activeSpecies) {
|
||||
for (const auto& species : m_activeSpecies) {
|
||||
if (CompositionDecorator::contains(species)) {
|
||||
m_masked_composition.emplace(species, CompositionDecorator::getMolarAbundance(species));
|
||||
} else {
|
||||
m_masked_composition.emplace(species, 0.0);
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
bool MaskedComposition::contains(const atomic::Species &species) const noexcept{
|
||||
if (m_activeSpecies.contains(species)) {
|
||||
return true;
|
||||
}
|
||||
return false;
|
||||
}
|
||||
|
||||
bool MaskedComposition::contains(const std::string &symbol) const {
|
||||
if (!atomic::species.contains(symbol)) {
|
||||
throw exceptions::UnknownSymbolError("Cannot find species '" + symbol + "' in base composition");
|
||||
}
|
||||
const atomic::Species& species = atomic::species.at(symbol);
|
||||
if (m_activeSpecies.contains(species)) {
|
||||
return true;
|
||||
}
|
||||
|
||||
return false;
|
||||
}
|
||||
|
||||
const std::set<atomic::Species>& MaskedComposition::getRegisteredSpecies() const noexcept {
|
||||
return m_activeSpecies;
|
||||
}
|
||||
|
||||
std::set<std::string> MaskedComposition::getRegisteredSymbols() const noexcept {
|
||||
std::set<std::string> symbols;
|
||||
for (const auto& species : m_activeSpecies) {
|
||||
symbols.insert(std::string(species.name()));
|
||||
}
|
||||
return symbols;
|
||||
}
|
||||
|
||||
size_t MaskedComposition::size() const noexcept {
|
||||
return m_activeSpecies.size();
|
||||
}
|
||||
|
||||
std::unordered_map<atomic::Species, double> MaskedComposition::getMassFraction() const noexcept {
|
||||
std::unordered_map<atomic::Species, double> massFractions;
|
||||
for (const auto& species : m_activeSpecies) {
|
||||
if (CompositionDecorator::contains(species)) {
|
||||
massFractions[species] = CompositionDecorator::getMassFraction(species);
|
||||
} else {
|
||||
massFractions[species] = 0.0;
|
||||
}
|
||||
}
|
||||
return massFractions;
|
||||
}
|
||||
|
||||
std::unordered_map<atomic::Species, double> MaskedComposition::getNumberFraction() const noexcept {
|
||||
std::unordered_map<atomic::Species, double> numberFractions;
|
||||
for (const auto& species : m_activeSpecies) {
|
||||
if (CompositionDecorator::contains(species)) {
|
||||
numberFractions[species] = CompositionDecorator::getNumberFraction(species);
|
||||
} else {
|
||||
numberFractions[species] = 0.0;
|
||||
}
|
||||
}
|
||||
return numberFractions;
|
||||
}
|
||||
|
||||
double MaskedComposition::getMassFraction(const std::string &symbol) const {
|
||||
if (!contains(symbol)) {
|
||||
throw exceptions::UnregisteredSymbolError("Species '" + symbol + "' is not part of the active species in the MaskedComposition.");
|
||||
}
|
||||
if (CompositionDecorator::contains(symbol)) {
|
||||
return CompositionDecorator::getMassFraction(symbol);
|
||||
} return 0.0;
|
||||
}
|
||||
double MaskedComposition::getMassFraction(const atomic::Species &species) const {
|
||||
if (!contains(species)) {
|
||||
throw exceptions::UnregisteredSymbolError("Species '" + std::string(species.name()) + "' is not part of the active species in the MaskedComposition.");
|
||||
}
|
||||
if (CompositionDecorator::contains(species)) {
|
||||
return CompositionDecorator::getMassFraction(species);
|
||||
} return 0.0;
|
||||
}
|
||||
double MaskedComposition::getNumberFraction(const std::string &symbol) const {
|
||||
if (!contains(symbol)) {
|
||||
throw exceptions::UnregisteredSymbolError("Species '" + symbol + "' is not part of the active species in the MaskedComposition.");
|
||||
}
|
||||
if (CompositionDecorator::contains(symbol)) {
|
||||
return CompositionDecorator::getNumberFraction(symbol);
|
||||
} return 0.0;
|
||||
}
|
||||
double MaskedComposition::getNumberFraction(const atomic::Species &species) const {
|
||||
if (!contains(species)) {
|
||||
throw exceptions::UnregisteredSymbolError("Species '" + std::string(species.name()) + "' is not part of the active species in the MaskedComposition.");
|
||||
}
|
||||
if (CompositionDecorator::contains(species)) {
|
||||
return CompositionDecorator::getNumberFraction(species);
|
||||
} return 0.0;
|
||||
}
|
||||
double MaskedComposition::getMolarAbundance(const std::string &symbol) const {
|
||||
if (!contains(symbol)) {
|
||||
throw exceptions::UnregisteredSymbolError("Species '" + symbol + "' is not part of the active species in the MaskedComposition.");
|
||||
}
|
||||
if (CompositionDecorator::contains(symbol)) {
|
||||
return CompositionDecorator::getMolarAbundance(symbol);
|
||||
} return 0.0;
|
||||
}
|
||||
double MaskedComposition::getMolarAbundance(const atomic::Species &species) const {
|
||||
if (!contains(species)) {
|
||||
throw exceptions::UnregisteredSymbolError("Species '" + std::string(species.name()) + "' is not part of the active species in the MaskedComposition.");
|
||||
}
|
||||
if (CompositionDecorator::contains(species)) {
|
||||
return CompositionDecorator::getMolarAbundance(species);
|
||||
} return 0.0;
|
||||
}
|
||||
double MaskedComposition::getMeanParticleMass() const noexcept {
|
||||
double meanParticleMass = 0.0;
|
||||
for (const auto& species : m_activeSpecies) {
|
||||
if (CompositionDecorator::contains(species)) {
|
||||
const double numberFraction = CompositionDecorator::getNumberFraction(species);
|
||||
const double atomicMass = species.mass();
|
||||
meanParticleMass += numberFraction * atomicMass;
|
||||
}
|
||||
}
|
||||
return meanParticleMass;
|
||||
}
|
||||
|
||||
double MaskedComposition::getElectronAbundance() const noexcept {
|
||||
double Ye = 0.0;
|
||||
for (const auto& species : m_activeSpecies) {
|
||||
if (CompositionDecorator::contains(species)) {
|
||||
Ye += CompositionDecorator::getMolarAbundance(species) * species.z();
|
||||
}
|
||||
}
|
||||
return Ye;
|
||||
}
|
||||
|
||||
std::vector<double> MaskedComposition::getMassFractionVector() const noexcept {
|
||||
std::vector<double> massFractions;
|
||||
massFractions.reserve(m_activeSpecies.size());
|
||||
for (const auto& species : m_activeSpecies) {
|
||||
massFractions.push_back(getMassFraction(species));
|
||||
}
|
||||
return massFractions;
|
||||
}
|
||||
|
||||
std::vector<double> MaskedComposition::getNumberFractionVector() const noexcept {
|
||||
std::vector<double> numberFractions;
|
||||
numberFractions.reserve(m_activeSpecies.size());
|
||||
for (const auto& species : m_activeSpecies) {
|
||||
numberFractions.push_back(getNumberFraction(species));
|
||||
}
|
||||
return numberFractions;
|
||||
}
|
||||
|
||||
std::vector<double> MaskedComposition::getMolarAbundanceVector() const noexcept {
|
||||
std::vector<double> molarAbundances;
|
||||
molarAbundances.reserve(m_activeSpecies.size());
|
||||
for (const auto& species : m_activeSpecies) {
|
||||
molarAbundances.push_back(getMolarAbundance(species));
|
||||
}
|
||||
return molarAbundances;
|
||||
}
|
||||
|
||||
size_t MaskedComposition::getSpeciesIndex(const std::string &symbol) const {
|
||||
if (!contains(symbol)) {
|
||||
throw exceptions::UnregisteredSymbolError("Species '" + symbol + "' is not part of the active species in the MaskedComposition.");
|
||||
}
|
||||
return std::distance(m_activeSpecies.begin(), m_activeSpecies.find(atomic::species.at(symbol)));
|
||||
}
|
||||
|
||||
size_t MaskedComposition::getSpeciesIndex(const atomic::Species &species) const {
|
||||
return std::distance(m_activeSpecies.begin(), m_activeSpecies.find(species));
|
||||
}
|
||||
|
||||
atomic::Species MaskedComposition::getSpeciesAtIndex(const size_t index) const {
|
||||
if (index >= m_activeSpecies.size()) {
|
||||
throw std::out_of_range("Index " + std::to_string(index) + " is out of bounds for active species of size " + std::to_string(m_activeSpecies.size()) + ".");
|
||||
}
|
||||
auto it = m_activeSpecies.begin();
|
||||
std::advance(it, index);
|
||||
return *it;
|
||||
}
|
||||
|
||||
std::unique_ptr<CompositionAbstract> MaskedComposition::clone() const {
|
||||
return std::make_unique<MaskedComposition>(*m_base_composition, m_activeSpecies);
|
||||
}
|
||||
|
||||
std::map<atomic::Species, double>::iterator MaskedComposition::begin() {
|
||||
return m_masked_composition.begin();
|
||||
}
|
||||
|
||||
std::map<atomic::Species, double>::iterator MaskedComposition::end() {
|
||||
return m_masked_composition.end();
|
||||
}
|
||||
|
||||
std::map<atomic::Species, double>::const_iterator MaskedComposition::begin() const {
|
||||
return m_masked_composition.cbegin();
|
||||
}
|
||||
|
||||
std::map<atomic::Species, double>::const_iterator MaskedComposition::end() const {
|
||||
return m_masked_composition.cend();
|
||||
}
|
||||
};
|
||||
Reference in New Issue
Block a user