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feat(Composition): Composition now inherits from abstract base class

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The composition object is now a specialization of the abstract base CompositionAbstract. This interface enforces getters but not setters (those are left up to children). The intention here is that other code can specialize particular getters for cases where special handling (like unrestricted amounts of one species) are required.
This commit is contained in:
Emily Boudreaux
2025-10-12 10:12:49 -04:00
parent 1fd329a072
commit 0ef3b1a195
4 changed files with 150 additions and 41 deletions
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64
tests/composition/compositionTest.cpp
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@@ -146,7 +146,7 @@ TEST_F(compositionTest, setGetComposition) {
EXPECT_DOUBLE_EQ(comp.setMassFraction("H-1", 0.6), 0.5);
EXPECT_DOUBLE_EQ(comp.setMassFraction("He-4", 0.4), 0.5);
EXPECT_NO_THROW(comp.finalize());
EXPECT_NO_THROW(static_cast<void>(comp.finalize()));
EXPECT_DOUBLE_EQ(comp.getMassFraction("H-1"), 0.6);
EXPECT_THROW(comp.setMassFraction("He-3", 0.3), fourdst::composition::exceptions::UnregisteredSymbolError);
@@ -186,7 +186,7 @@ TEST_F(compositionTest, setGetNumberFraction) {
EXPECT_DOUBLE_EQ(comp.setNumberFraction("H-1", 0.6), 0.5);
EXPECT_DOUBLE_EQ(comp.setNumberFraction("He-4", 0.4), 0.5);
EXPECT_NO_THROW(comp.finalize());
EXPECT_NO_THROW(static_cast<void>(comp.finalize()));
EXPECT_DOUBLE_EQ(comp.getNumberFraction("H-1"), 0.6);
EXPECT_THROW(comp.setNumberFraction("He-3", 0.3), fourdst::composition::exceptions::UnregisteredSymbolError);
@@ -211,7 +211,7 @@ TEST_F(compositionTest, subset) {
comp.registerSymbol("He-4");
comp.setMassFraction("H-1", 0.6);
comp.setMassFraction("He-4", 0.4);
EXPECT_NO_THROW(comp.finalize());
EXPECT_NO_THROW(static_cast<void>(comp.finalize()));
std::vector<std::string> symbols = {"H-1"};
fourdst::composition::Composition subsetComp = comp.subset(symbols, "norm");
@@ -282,7 +282,7 @@ TEST_F(compositionTest, getComposition) {
comp.registerSymbol("He-4");
comp.setMassFraction("H-1", 0.6);
comp.setMassFraction("He-4", 0.4);
EXPECT_NO_THROW(comp.finalize());
EXPECT_NO_THROW(static_cast<void>(comp.finalize()));
const auto compositionEntry = comp.getComposition("H-1");
EXPECT_DOUBLE_EQ(compositionEntry.first.mass_fraction(), 0.6);
@@ -309,7 +309,7 @@ TEST_F(compositionTest, setCompositionMode) {
comp.registerSymbol("He-4");
comp.setMassFraction("H-1", 0.6);
comp.setMassFraction("He-4", 0.4);
EXPECT_NO_THROW(comp.finalize());
EXPECT_NO_THROW(static_cast<void>(comp.finalize()));
EXPECT_DOUBLE_EQ(comp.getMassFraction("H-1"), 0.6);
EXPECT_DOUBLE_EQ(comp.getMassFraction("He-4"), 0.4);
@@ -320,7 +320,7 @@ TEST_F(compositionTest, setCompositionMode) {
EXPECT_NO_THROW(comp.setNumberFraction("He-4", 0.1));
EXPECT_THROW(comp.setCompositionMode(true), fourdst::composition::exceptions::CompositionNotFinalizedError);
EXPECT_NO_THROW(comp.finalize());
EXPECT_NO_THROW(static_cast<void>(comp.finalize()));
EXPECT_NO_THROW(comp.setCompositionMode(true));
}
@@ -340,7 +340,7 @@ TEST_F(compositionTest, hasSymbol) {
comp.registerSymbol("He-4");
comp.setMassFraction("H-1", 0.6);
comp.setMassFraction("He-4", 0.4);
EXPECT_NO_THROW(comp.finalize());
EXPECT_NO_THROW(static_cast<void>(comp.finalize()));
EXPECT_TRUE(comp.hasSymbol("H-1"));
EXPECT_TRUE(comp.hasSymbol("He-4"));
@@ -366,14 +366,14 @@ TEST_F(compositionTest, mix) {
comp1.registerSymbol("He-4");
comp1.setMassFraction("H-1", 0.6);
comp1.setMassFraction("He-4", 0.4);
EXPECT_NO_THROW(comp1.finalize());
EXPECT_NO_THROW(static_cast<void>(comp1.finalize()));
fourdst::composition::Composition comp2;
comp2.registerSymbol("H-1");
comp2.registerSymbol("He-4");
comp2.setMassFraction("H-1", 0.4);
comp2.setMassFraction("He-4", 0.6);
EXPECT_NO_THROW(comp2.finalize());
EXPECT_NO_THROW(static_cast<void>(comp2.finalize()));
fourdst::composition::Composition mixedComp = comp1 + comp2;
EXPECT_TRUE(mixedComp.finalize());
@@ -401,8 +401,9 @@ TEST_F(compositionTest, molarAbundance) {
comp1.registerSymbol("He-4");
comp1.setMassFraction("H-1", 0.5);
comp1.setMassFraction("He-4", 0.5);
comp1.finalize();
const bool didFinalize = comp1.finalize();
EXPECT_TRUE(didFinalize);
EXPECT_DOUBLE_EQ(comp1.getMolarAbundance("H-1"), 0.5/fourdst::atomic::H_1.mass());
EXPECT_DOUBLE_EQ(comp1.getMolarAbundance("He-4"), 0.5/fourdst::atomic::He_4.mass());
}
@@ -567,11 +568,14 @@ TEST_F(compositionTest, mixErrorCases) {
fourdst::config::Config::getInstance().loadConfig(EXAMPLE_FILENAME);
using fourdst::composition::Composition;
Composition a; a.registerSymbol("H-1"); a.registerSymbol("He-4"); a.setMassFraction("H-1", 0.6); a.setMassFraction("He-4", 0.4); a.finalize();
Composition a; a.registerSymbol("H-1"); a.registerSymbol("He-4"); a.setMassFraction("H-1", 0.6); a.setMassFraction("He-4", 0.4);
bool didFinalizeA = a.finalize();
EXPECT_TRUE(didFinalizeA);
Composition b; b.registerSymbol("H-1"); b.registerSymbol("He-4"); b.setMassFraction("H-1", 0.5); b.setMassFraction("He-4", 0.5);
// Not finalized second comp
EXPECT_THROW(static_cast<void>(a.mix(b, 0.5)), fourdst::composition::exceptions::CompositionNotFinalizedError);
b.finalize();
bool didFinalizeB = b.finalize();
EXPECT_TRUE(didFinalizeB);
// Invalid fraction
EXPECT_THROW(static_cast<void>(a.mix(b, -0.1)), fourdst::composition::exceptions::InvalidCompositionError);
EXPECT_THROW(static_cast<void>(a.mix(b, 1.1)), fourdst::composition::exceptions::InvalidCompositionError);
@@ -706,7 +710,8 @@ TEST_F(compositionTest, vectorsAndIndexingAndSpeciesAtIndex) {
// Molar abundance vector X_i/A_i in mass mode; switch back to mass mode to verify
comp.setCompositionMode(true);
comp.finalize(true);
bool didFinalize = comp.finalize(true);
EXPECT_TRUE(didFinalize);
auto av = comp.getMolarAbundanceVector();
ASSERT_EQ(av.size(), 3u);
EXPECT_NEAR(av[iH], 0.5/species.at("H-1").mass(), 1e-12);
@@ -804,3 +809,36 @@ TEST_F(compositionTest, iterationBeginEndAndIndexOutOfRange) {
EXPECT_THROW(static_cast<void>(comp.getSpeciesAtIndex(100)), std::out_of_range);
}
TEST_F(compositionTest, abstractBase) {
class UnrestrictedComposition : public fourdst::composition::Composition {
private:
fourdst::atomic::Species m_species;
const Composition& m_composition;
public:
UnrestrictedComposition(const Composition& base, const fourdst::atomic::Species& species):
Composition(base),
m_species(species),
m_composition(base)
{}
double getMolarAbundance(const fourdst::atomic::Species &species) const override {
if (species == m_species) {
return 1.0;
}
return m_composition.getMolarAbundance(species);
}
};
fourdst::config::Config::getInstance().loadConfig(EXAMPLE_FILENAME);
fourdst::composition::Composition comp;
comp.registerSymbol("H-1"); comp.registerSymbol("He-4"); comp.registerSymbol("O-16");
comp.setMassFraction("H-1", 0.5); comp.setMassFraction("He-4", 0.3); comp.setMassFraction("O-16", 0.2);
ASSERT_TRUE(comp.finalize());
const UnrestrictedComposition uComp(comp, fourdst::atomic::H_1);
ASSERT_DOUBLE_EQ(uComp.getMolarAbundance(fourdst::atomic::H_1), 1.0);
ASSERT_DOUBLE_EQ(uComp.getMassFraction("He-4"), comp.getMassFraction("He-4"));
}