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feat(composition): added numberFrac methods and subset method

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Composition can now be placed in either number fraction or mass fraction mode and can (after finalization) convert between them. Subsets of compositions can also be made. Normalization has also been added to finalize. Tests have been added
This commit is contained in:
Emily Boudreaux
2025-03-25 12:49:37 -04:00
parent fe48384339
commit cb33f75e0c
3 changed files with 680 additions and 92 deletions
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90
tests/composition/compositionTest.cpp
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@@ -49,23 +49,93 @@ TEST_F(compositionTest, setGetComposition) {
comp.registerSymbol("H-1");
comp.registerSymbol("He-4");
EXPECT_DOUBLE_EQ(comp.setComposition("H-1", 0.5), 0.0);
EXPECT_DOUBLE_EQ(comp.setComposition("He-4", 0.5), 0.0);
EXPECT_DOUBLE_EQ(comp.setComposition("H-1", 0.6), 0.5);
EXPECT_DOUBLE_EQ(comp.setComposition("He-4", 0.4), 0.5);
EXPECT_DOUBLE_EQ(comp.setMassFraction("H-1", 0.5), 0.0);
EXPECT_DOUBLE_EQ(comp.setMassFraction("He-4", 0.5), 0.0);
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());
std::unordered_map<std::string, composition::CompositionEntry> compositions = comp.getCompositions();
EXPECT_DOUBLE_EQ(compositions["H-1"].mass_fraction, 0.6);
EXPECT_DOUBLE_EQ(comp.getMassFraction("H-1"), 0.6);
EXPECT_THROW(comp.setComposition("He-3", 0.3), std::runtime_error);
EXPECT_THROW(comp.setMassFraction("He-3", 0.3), std::runtime_error);
EXPECT_NO_THROW(comp.setComposition({"H-1", "He-4"}, {0.5, 0.5}));
EXPECT_NO_THROW(comp.setMassFraction({"H-1", "He-4"}, {0.5, 0.5}));
EXPECT_THROW(comp.getComposition("H-1"), std::runtime_error);
EXPECT_TRUE(comp.finalize());
EXPECT_DOUBLE_EQ(comp.getComposition("H-1").mass_fraction, 0.5);
EXPECT_DOUBLE_EQ(comp.getComposition("H-1").first.mass_fraction(), 0.5);
EXPECT_NO_THROW(comp.setComposition({"H-1", "He-4"}, {0.6, 0.6}));
EXPECT_NO_THROW(comp.setMassFraction({"H-1", "He-4"}, {0.6, 0.6}));
EXPECT_FALSE(comp.finalize());
EXPECT_THROW(comp.getComposition("H-1"), std::runtime_error);
}
TEST_F(compositionTest, setGetNumberFraction) {
Config::getInstance().loadConfig(EXAMPLE_FILENAME);
composition::Composition comp;
comp.registerSymbol("H-1", false);
comp.registerSymbol("He-4", false);
EXPECT_DOUBLE_EQ(comp.setNumberFraction("H-1", 0.5), 0.0);
EXPECT_DOUBLE_EQ(comp.setNumberFraction("He-4", 0.5), 0.0);
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_DOUBLE_EQ(comp.getNumberFraction("H-1"), 0.6);
EXPECT_THROW(comp.setNumberFraction("He-3", 0.3), std::runtime_error);
}
TEST_F(compositionTest, subset) {
Config::getInstance().loadConfig(EXAMPLE_FILENAME);
composition::Composition comp;
comp.registerSymbol("H-1");
comp.registerSymbol("He-4");
comp.setMassFraction("H-1", 0.6);
comp.setMassFraction("He-4", 0.4);
EXPECT_NO_THROW(comp.finalize());
std::vector<std::string> symbols = {"H-1"};
composition::Composition subsetComp = comp.subset(symbols, "norm");
EXPECT_TRUE(subsetComp.finalize());
EXPECT_DOUBLE_EQ(subsetComp.getMassFraction("H-1"), 1.0);
}
TEST_F(compositionTest, finalizeWithNormalization) {
Config::getInstance().loadConfig(EXAMPLE_FILENAME);
composition::Composition comp;
comp.registerSymbol("H-1");
comp.registerSymbol("He-4");
comp.setMassFraction("H-1", 0.3);
comp.setMassFraction("He-4", 0.3);
EXPECT_TRUE(comp.finalize(true));
EXPECT_DOUBLE_EQ(comp.getMassFraction("H-1"), 0.5);
EXPECT_DOUBLE_EQ(comp.getMassFraction("He-4"), 0.5);
}
TEST_F(compositionTest, finalizeWithoutNormalization) {
Config::getInstance().loadConfig(EXAMPLE_FILENAME);
composition::Composition comp;
comp.registerSymbol("H-1");
comp.registerSymbol("He-4");
comp.setMassFraction("H-1", 0.5);
comp.setMassFraction("He-4", 0.5);
EXPECT_TRUE(comp.finalize(false));
EXPECT_DOUBLE_EQ(comp.getMassFraction("H-1"), 0.5);
EXPECT_DOUBLE_EQ(comp.getMassFraction("He-4"), 0.5);
}
TEST_F(compositionTest, getComposition) {
Config::getInstance().loadConfig(EXAMPLE_FILENAME);
composition::Composition comp;
comp.registerSymbol("H-1");
comp.registerSymbol("He-4");
comp.setMassFraction("H-1", 0.6);
comp.setMassFraction("He-4", 0.4);
EXPECT_NO_THROW(comp.finalize());
auto compositionEntry = comp.getComposition("H-1");
EXPECT_DOUBLE_EQ(compositionEntry.first.mass_fraction(), 0.6);
EXPECT_DOUBLE_EQ(compositionEntry.second.meanParticleMass, 1.4382769310381101);
EXPECT_DOUBLE_EQ(compositionEntry.second.specificNumberDensity, 1.0/1.4382769310381101);
}