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Prevent polynomial_at from panicking

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This commit is contained in:
Alex Selimov 2026-03-29 22:31:09 -04:00
parent 6f4bc45927
commit 063ec15795
2 changed files with 78 additions and 28 deletions
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76
src/properties/thermo_db.rs
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@ -295,9 +295,17 @@ mod test {
-1.742171366e+01,
];
assert_vec_delta!(species.polynomial_at(650.0).a, real_coeff_1, 1e-9);
assert_delta!(species.polynomial_at(650.0).temp_range.0, 300.000, 1e-3);
assert_delta!(species.polynomial_at(650.0).temp_range.1, 1000.000, 1e-3);
assert_vec_delta!(species.polynomial_at(650.0).unwrap().a, real_coeff_1, 1e-9);
assert_delta!(
species.polynomial_at(650.0).unwrap().temp_range.0,
300.000,
1e-3
);
assert_delta!(
species.polynomial_at(650.0).unwrap().temp_range.1,
1000.000,
1e-3
);
let real_coeff_2 = [
-3.523782900e+05,
@ -311,9 +319,17 @@ mod test {
-2.695610360e+00,
];
assert_vec_delta!(species.polynomial_at(3500.0).a, real_coeff_2, 1e-9);
assert_delta!(species.polynomial_at(3500.0).temp_range.0, 1000.000, 1e-3);
assert_delta!(species.polynomial_at(3500.0).temp_range.1, 6000.000, 1e-3);
assert_vec_delta!(species.polynomial_at(3500.0).unwrap().a, real_coeff_2, 1e-9);
assert_delta!(
species.polynomial_at(3500.0).unwrap().temp_range.0,
1000.000,
1e-3
);
assert_delta!(
species.polynomial_at(3500.0).unwrap().temp_range.1,
6000.000,
1e-3
);
}
#[test]
@ -366,7 +382,7 @@ END REACTANTS
assert_eq!(alcl3.num_polynomials(), 2);
assert_vec_delta!(
alcl3.polynomial_at(650.0).a,
alcl3.polynomial_at(650.0).unwrap().a,
[
7.750600970e+04,
-1.440779717e+03,
@ -380,11 +396,19 @@ END REACTANTS
],
1e-9
);
assert_delta!(alcl3.polynomial_at(650.0).temp_range.0, 300.0, 1e-3);
assert_delta!(alcl3.polynomial_at(650.0).temp_range.1, 1000.0, 1e-3);
assert_delta!(
alcl3.polynomial_at(650.0).unwrap().temp_range.0,
300.0,
1e-3
);
assert_delta!(
alcl3.polynomial_at(650.0).unwrap().temp_range.1,
1000.0,
1e-3
);
assert_vec_delta!(
alcl3.polynomial_at(3500.0).a,
alcl3.polynomial_at(3500.0).unwrap().a,
[
-1.378630916e+05,
-5.579207290e+01,
@ -398,8 +422,16 @@ END REACTANTS
],
1e-9
);
assert_delta!(alcl3.polynomial_at(3500.0).temp_range.0, 1000.0, 1e-3);
assert_delta!(alcl3.polynomial_at(3500.0).temp_range.1, 6000.0, 1e-3);
assert_delta!(
alcl3.polynomial_at(3500.0).unwrap().temp_range.0,
1000.0,
1e-3
);
assert_delta!(
alcl3.polynomial_at(3500.0).unwrap().temp_range.1,
6000.0,
1e-3
);
// --- Air (reactant 0) ---
let air = &thermo_db.reactants[0];
@ -419,7 +451,7 @@ END REACTANTS
assert_eq!(air.num_polynomials(), 2);
assert_vec_delta!(
air.polynomial_at(650.0).a,
air.polynomial_at(650.0).unwrap().a,
[
1.009950160e+04,
-1.968275610e+02,
@ -433,11 +465,11 @@ END REACTANTS
],
1e-9
);
assert_delta!(air.polynomial_at(650.0).temp_range.0, 300.0, 1e-3);
assert_delta!(air.polynomial_at(650.0).temp_range.1, 1000.0, 1e-3);
assert_delta!(air.polynomial_at(650.0).unwrap().temp_range.0, 300.0, 1e-3);
assert_delta!(air.polynomial_at(650.0).unwrap().temp_range.1, 1000.0, 1e-3);
assert_vec_delta!(
air.polynomial_at(3500.0).a,
air.polynomial_at(3500.0).unwrap().a,
[
2.415214430e+05,
-1.257874600e+03,
@ -451,8 +483,16 @@ END REACTANTS
],
1e-9
);
assert_delta!(air.polynomial_at(3500.0).temp_range.0, 1000.0, 1e-3);
assert_delta!(air.polynomial_at(3500.0).temp_range.1, 6000.0, 1e-3);
assert_delta!(
air.polynomial_at(3500.0).unwrap().temp_range.0,
1000.0,
1e-3
);
assert_delta!(
air.polynomial_at(3500.0).unwrap().temp_range.1,
6000.0,
1e-3
);
// --- n-Butanol (reactant 1) ---
let butanol = &thermo_db.reactants[1];