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feat(composition-hash): added robust hashed for compositions

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also added ability to use Compositions as a std::hash in unordered_* types. Further added a constructor to build a Composition from a const CompositionAbstract&
This commit is contained in:
Emily Boudreaux
2025-11-12 15:21:33 -05:00
parent 2492b5f652
commit 408dd71eee
13 changed files with 899 additions and 5 deletions
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101
tests/composition/compositionTest.cpp
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@@ -9,6 +9,7 @@
#include "fourdst/composition/exceptions/exceptions_composition.h"
#include "fourdst/composition/utils.h"
#include "fourdst/composition/decorators/composition_masked.h"
#include "fourdst/composition/utils/composition_hash.h"
#include "fourdst/config/config.h"
@@ -248,6 +249,102 @@ TEST_F(compositionTest, decorators) {
comp.setMolarAbundance("H-1", 1.0);
ASSERT_NE(mComp.getMolarAbundance(fourdst::atomic::H_1), 1.0);
}
TEST_F(compositionTest, orderInvariance) {
fourdst::composition::Composition a;
a.registerSymbol("He-4"); a.registerSymbol("H-1"); a.registerSymbol("O-16");
a.setMolarAbundance("H-1", 0.6); a.setMolarAbundance("He-4", 0.6);
fourdst::composition::Composition b;
b.registerSymbol("O-16"); b.registerSymbol("H-1"); b.registerSymbol("He-4");
b.setMolarAbundance("He-4", 0.6); b.setMolarAbundance("H-1", 0.6);
const std::uint64_t ha = fourdst::composition::utils::CompositionHash::hash_exact(a);
const std::uint64_t hb = fourdst::composition::utils::CompositionHash::hash_exact(b);
ASSERT_EQ(ha, hb);
}
TEST_F(compositionTest, negativeZeroEqualsPositiveZero) {
fourdst::composition::Composition a, b;
a.registerSymbol("H-1"); b.registerSymbol("H-1");
a.setMolarAbundance("H-1", 0.0);
b.setMolarAbundance("H-1", -0.0);
ASSERT_EQ(fourdst::composition::utils::CompositionHash::hash_exact(a),
fourdst::composition::utils::CompositionHash::hash_exact(b));
}
TEST_F(compositionTest, quantizedIgnoresTinyJitter) {
fourdst::composition::Composition a, b;
a.registerSymbol("H-1"); b.registerSymbol("H-1");
a.setMolarAbundance("H-1", 1.0);
b.setMolarAbundance("H-1", 1.0 + 5e-14); // smaller than eps
const double eps = 1e-12;
const auto hqa = fourdst::composition::utils::CompositionHash::hash_quantized(a, eps);
const auto hqb = fourdst::composition::utils::CompositionHash::hash_quantized(b, eps);
ASSERT_EQ(hqa, hqb);
// But exact should differ if the bit pattern changes
const auto hea = fourdst::composition::utils::CompositionHash::hash_exact(a);
const auto heb = fourdst::composition::utils::CompositionHash::hash_exact(b);
ASSERT_NE(hea, heb);
}
TEST_F(compositionTest, quantizedDetectsAboveEps) {
fourdst::composition::Composition a, b;
a.registerSymbol("H-1"); b.registerSymbol("H-1");
a.setMolarAbundance("H-1", 1.0);
b.setMolarAbundance("H-1", 1.0 + 2e-12); // larger than eps
const double eps = 1e-12;
ASSERT_NE(fourdst::composition::utils::CompositionHash::hash_quantized(a, eps),
fourdst::composition::utils::CompositionHash::hash_quantized(b, eps));
}
TEST_F(compositionTest, exactVsQuantizedDifferentSeeds) {
fourdst::composition::Composition a;
a.registerSymbol("H-1"); a.setMolarAbundance("H-1", 0.5);
const auto he = fourdst::composition::utils::CompositionHash::hash_exact(a);
const auto hq = fourdst::composition::utils::CompositionHash::hash_quantized(a, 1e-12);
ASSERT_NE(he, hq);
}
TEST_F(compositionTest, cloneAndCopyStable) {
std::vector<std::string> symbols = {"H-1", "He-4"};
std::vector<double> abundances = {0.6, 0.4};
fourdst::composition::Composition a(symbols, abundances);
fourdst::composition::Composition b(a);
const auto ha = fourdst::composition::utils::CompositionHash::hash_exact(a);
const auto hb = fourdst::composition::utils::CompositionHash::hash_exact(b);
ASSERT_EQ(ha, hb);
std::unique_ptr<fourdst::composition::CompositionAbstract> cptr = a.clone();
const auto hc = fourdst::composition::utils::CompositionHash::hash_exact(
*static_cast<fourdst::composition::Composition*>(cptr.get()));
ASSERT_EQ(ha, hc);
}
TEST_F(compositionTest, bothSidesRegisterSameZeroSpeciesEquality) {
fourdst::composition::Composition a, b;
a.registerSymbol("H-1"); b.registerSymbol("H-1");
a.setMolarAbundance("H-1", 0.6); b.setMolarAbundance("H-1", 0.6);
a.registerSymbol("He-4"); b.registerSymbol("He-4");
ASSERT_EQ(fourdst::composition::utils::CompositionHash::hash_exact(a),
fourdst::composition::utils::CompositionHash::hash_exact(b));
}
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});
a.setMolarAbundance("H-1", qnan1);
b.setMolarAbundance("H-1", qnan2);
ASSERT_EQ(fourdst::composition::utils::CompositionHash::hash_exact(a),
fourdst::composition::utils::CompositionHash::hash_exact(b));
}