xraydb 0.1.1

X-ray reference data for the elements
Documentation 
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/// Embedded materials database (from XrayDB materials.dat).
///
/// Each entry: (name, density_g_per_cm3, formula)
pub(crate) const MATERIALS: &[(&str, f64, &str)] = &[
    // Gases
    ("hydrogen", 0.0000899, "H"),
    ("helium", 0.0001786, "He"),
    ("nitrogen", 0.00125, "N"),
    ("oxygen", 0.001429, "O"),
    ("neon", 0.0009002, "Ne"),
    ("argon", 0.001784, "Ar"),
    ("krypton", 0.003749, "Kr"),
    ("xenon", 0.005894, "Xe"),
    (
        "air",
        0.001225,
        "(N2)0.7808(O2)0.2095Ar9.34e-3(CO2)4.1e-4Ne1.82e-5He5.24e-6(CH4)1.8e-6Kr1.0e-6(H2)0.5e-6Xe9.e-8",
    ),
    ("methane", 0.000657, "CH4"),
    ("carbon dioxide", 0.001562, "CO2"),
    // Solvents
    ("water", 1.0, "H2O"),
    ("ethanol", 0.789, "C2H5OH"),
    ("acetone", 0.785, "C3H6O"),
    ("methanol", 0.791, "CH3OH"),
    ("isopropanol", 0.803, "C3H8O"),
    ("toluene", 0.867, "C7H8"),
    ("xylene", 0.844, "C6H4(CH3)2"),
    ("benzene", 0.877, "C6H6"),
    ("butanol", 0.810, "C4H10O"),
    ("chlorobenzene", 1.106, "C6H5Cl"),
    ("cyclohexane", 0.774, "C6H12"),
    ("dimethyl sulfoxide", 1.09, "C2H6OS"),
    ("ethylene glycol", 1.115, "C2H6O2"),
    ("glycerin", 1.261, "C3H8O3"),
    ("heptane", 0.684, "C7H16"),
    ("hexane", 0.659, "C6H14"),
    // Polymers
    ("kapton", 1.42, "C22H10N2O5"),
    ("polyimide", 1.42, "C22H10N2O5"),
    ("polypropylene", 0.86, "C3H6"),
    ("pmma", 1.18, "C5H8O2"),
    ("polycarbonate", 1.2, "C16H14O3"),
    ("kimol", 1.2, "C16H14O3"),
    ("mylar", 1.4, "C10H8O4"),
    ("teflon", 2.2, "C2F4"),
    ("parylene-c", 1.29, "C8H7Cl"),
    ("parylene-n", 1.11, "C8H8"),
    ("peek", 1.32, "C19H14O3"),
    // Ceramics & minerals
    ("boron nitride", 2.1, "BN"),
    ("cubic boron nitride", 3.45, "BN"),
    ("silicon nitride", 3.17, "Si3N4"),
    ("yag", 4.56, "Y3Al5O12"),
    ("sapphire", 4.0, "Al2O3"),
    ("ule glass", 2.205, "Si0.925Ti0.075O2"),
    (
        "zerodur",
        2.53,
        "Si0.56Al0.5P0.16Li0.04Ti0.02Zr0.02Zn0.03O2.46",
    ),
    ("fluorite", 3.18, "CaF2"),
    ("mica", 2.83, "KAl3Si3O12H2"),
    ("fayalite", 4.392, "Fe2SiO4"),
    ("forsterite", 3.27, "Mg2SiO4"),
    ("wustite", 5.7, "FeO"),
    ("salt", 2.165, "NaCl"),
    ("silica", 2.2, "SiO2"),
    ("quartz", 2.65, "SiO2"),
    ("cristobalite", 2.27, "SiO2"),
    ("rutile", 4.23, "TiO2"),
    ("magnesium dioxide", 3.6, "MgO"),
    ("galena", 7.60, "PbS"),
    // Semiconductors
    ("cadmium telluride", 5.85, "CdTe"),
    ("gallium arsenide", 5.318, "GaAs"),
    // Metals & elements
    ("beryllium copper", 8.4, "Cu0.98Be0.02"),
    ("diamond carbon", 3.52, "C"),
    ("graphite carbon", 2.23, "C"),
    ("beryllium", 1.85, "Be"),
    ("aluminum", 2.70, "Al"),
    ("silicon", 2.329, "Si"),
    ("titanium", 4.506, "Ti"),
    ("chromium", 7.15, "Cr"),
    ("iron", 7.88, "Fe"),
    ("cobalt", 8.90, "Co"),
    ("nickel", 8.908, "Ni"),
    ("copper", 8.96, "Cu"),
    ("zinc", 7.14, "Zn"),
    ("gallium", 5.91, "Ga"),
    ("germanium", 5.323, "Ge"),
    ("molybdenum", 10.28, "Mo"),
    ("ruthenium", 12.45, "Ru"),
    ("rhodium", 12.41, "Rh"),
    ("palladium", 12.02, "Pd"),
    ("silver", 10.49, "Ag"),
    ("indium", 7.31, "In"),
    ("tin", 7.265, "Sn"),
    ("tantalum", 16.69, "Ta"),
    ("tungsten", 19.25, "W"),
    ("rhenium", 21.02, "Re"),
    ("osmium", 22.59, "Os"),
    ("iridium", 22.56, "Ir"),
    ("platinum", 21.45, "Pt"),
    ("gold", 19.3, "Au"),
    ("mercury", 13.534, "Hg"),
    ("lead", 11.34, "Pb"),
    ("bismuth", 9.78, "Bi"),
    ("uranium", 19.1, "U"),
    ("zirconium", 6.5, "Zr"),
];

/// Find a material by name (case-insensitive) or formula.
/// Returns (formula, density).
pub(crate) fn find_material(name: &str) -> Option<(&'static str, f64)> {
    let lower = name.to_lowercase();
    // Try by name first
    for &(mat_name, density, formula) in MATERIALS {
        if mat_name == lower {
            return Some((formula, density));
        }
    }
    // Try by formula
    for &(_, density, formula) in MATERIALS {
        if formula.eq_ignore_ascii_case(name) {
            return Some((formula, density));
        }
    }
    None
}