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perf(Composition): Internally switched from map -> vector

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This brings a major performance improvment as all memory is contiguous
on the heap rather than spread around.
This commit is contained in:
Emily Boudreaux
2025-12-08 11:31:46 -05:00
parent 184df676ca
commit 284e8cd10a
17 changed files with 909 additions and 475 deletions
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59
tests/composition/compositionTest.cpp
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@@ -3,6 +3,7 @@
#include <string>
#include <algorithm>
#include <chrono>
#include <ranges>
#include "fourdst/atomic/atomicSpecies.h"
#include "fourdst/atomic/species.h"
@@ -176,12 +177,9 @@ TEST_F(compositionTest, setGetComposition) {
TEST_F(compositionTest, getRegisteredSpecies) {
fourdst::composition::Composition comp;
comp.registerSpecies({fourdst::atomic::Be_7, fourdst::atomic::H_1, fourdst::atomic::He_4});
auto registeredSpecies = comp.getRegisteredSpecies();
EXPECT_TRUE(registeredSpecies.contains(fourdst::atomic::H_1));
EXPECT_TRUE(registeredSpecies.contains(fourdst::atomic::He_4));
EXPECT_FALSE(registeredSpecies.contains(fourdst::atomic::Li_6));
const auto it1 = registeredSpecies.begin();
EXPECT_EQ(*it1, fourdst::atomic::H_1);
EXPECT_TRUE(comp.contains(fourdst::atomic::H_1));
EXPECT_TRUE(comp.contains(fourdst::atomic::He_4));
EXPECT_FALSE(comp.contains(fourdst::atomic::Li_6));
}
/**
@@ -397,7 +395,7 @@ TEST_F(compositionTest, canonicalizeNaNIfAllowed) {
fourdst::composition::Composition a, b;
a.registerSymbol("H-1"); b.registerSymbol("H-1");
double qnan1 = std::numeric_limits<double>::quiet_NaN();
double qnan2 = std::bit_cast<double>(std::uint64_t{0x7ff80000'00000042ULL});
auto qnan2 = std::bit_cast<double>(std::uint64_t{0x7ff80000'00000042ULL});
a.setMolarAbundance("H-1", qnan1);
b.setMolarAbundance("H-1", qnan2);
ASSERT_EQ(fourdst::composition::utils::CompositionHash::hash_exact(a),
@@ -437,4 +435,51 @@ TEST_F(compositionTest, hashStaleing) {
a.setMolarAbundance("C-12", 0.002);
const std::size_t hash2 = a.hash();
EXPECT_NE(hash1, hash2);
}
TEST_F(compositionTest, speciesOrdering) {
using namespace fourdst::atomic;
const std::unordered_map<Species, double> abundances ={
{C_12, 0.001},
{H_1, 0.702},
{O_16, 0.22},
{N_14, 0.0005},
{He_4, 0.06},
{Ar_30, 0.0001},
{Li_6, 0.0002}
};
const fourdst::composition::Composition a(abundances);
static const std::vector<Species> speciesInOrder = {
H_1, He_4, Li_6, C_12, N_14, O_16, Ar_30
};
const std::vector<Species>& specieFromComposition = a.getRegisteredSpecies();
for (const auto& [spe, spo] : std::views::zip(speciesInOrder, specieFromComposition)) {
EXPECT_EQ(spe, spo);
}
}
TEST_F(compositionTest, iterationOrdering) {
using namespace fourdst::atomic;
const std::unordered_map<Species, double> abundances ={
{C_12, 0.001},
{H_1, 0.702},
{O_16, 0.22},
{N_14, 0.0005},
{He_4, 0.06},
{Ar_30, 0.0001},
{Li_6, 0.0002}
};
const fourdst::composition::Composition a(abundances);
static const std::vector<Species> speciesInOrder = {
H_1, He_4, Li_6, C_12, N_14, O_16, Ar_30
};
size_t count = 0;
for (const auto &sp: a | std::views::keys) {
EXPECT_EQ(sp, speciesInOrder[count]);
++count;
}
}