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feat(composition): added mix method to combine compositions. Also overloaded the + operator to mix with an assumed fraction of 50/50

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This commit is contained in:
Emily Boudreaux
2025-03-26 08:07:11 -04:00
parent e850f78831
commit 82d74c7bb2
3 changed files with 130 additions and 8 deletions
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41
src/composition/public/composition.h
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@@ -267,6 +267,17 @@ namespace composition{
*/
Composition(const std::vector<std::string>& symbols);
/**
* @brief Constructs a Composition with the given symbols as a set.
* @param symbols The symbols to initialize the composition with.
* @example
* @code
* std::set<std::string> symbols = {"H", "O"};
* Composition comp(symbols);
* @endcode
*/
Composition(const std::set<std::string>& symbols);
/**
* @brief Constructs a Composition with the given symbols and mass fractions.
* @param symbols The symbols to initialize the composition with.
@@ -356,6 +367,13 @@ namespace composition{
*/
std::vector<double> setNumberFraction(const std::vector<std::string>& symbols, const std::vector<double>& number_fractions);
/**
* @brief Mix two compositions together with a given fraction.
* @param other The other composition to mix with.
* @param fraction The fraction of the other composition to mix with. This is the fraction of the other composition wrt. to the current. i.e. fraction=1 would mean that 50% of the new composition is from the other and 50% from the current).
*/
Composition mix(const Composition& other, double fraction) const;
/**
* @brief Gets the mass fractions of all compositions.
* @return An unordered map of compositions with their mass fractions.
@@ -403,6 +421,13 @@ namespace composition{
*/
Composition subset(const std::vector<std::string>& symbols, std::string method="norm") const;
/**
* @brief Check if a symbol is registered.
* @param symbol The symbol to check.
* @return True if the symbol is registered, false otherwise.
*/
bool hasSymbol(const std::string& symbol) const;
/**
* @brief Sets the composition mode.
* @param massFracMode True if mass fraction mode, false if number fraction mode.
@@ -415,13 +440,15 @@ namespace composition{
* @param composition The Composition to output.
* @return The output stream.
*/
friend std::ostream& operator<<(std::ostream& os, const Composition& composition) {
os << "Composition: \n";
for (const auto& [symbol, entry] : composition.m_compositions) {
os << entry << "\n";
}
return os;
}
friend std::ostream& operator<<(std::ostream& os, const Composition& composition);
// Overload the + operator to call mix with a fraction of 0.5
/**
* @brief Overloads the + operator to mix two compositions together with a fraction of 0.5.
* @param other The other composition to mix with.
* @return The mixed composition.
*/
Composition operator+(const Composition& other) const;
};
};