Enum Element 

#[repr(u8)]
pub enum Element {
    H = 1,
    He = 2,
    Li = 3,
    Be = 4,
    B = 5,
    C = 6,
    N = 7,
    O = 8,
    F = 9,
    Ne = 10,
    Na = 11,
    Mg = 12,
    Al = 13,
    Si = 14,
    P = 15,
    S = 16,
    Cl = 17,
    Ar = 18,
    K = 19,
    Ca = 20,
    Sc = 21,
    Ti = 22,
    V = 23,
    Cr = 24,
    Mn = 25,
    Fe = 26,
    Co = 27,
    Ni = 28,
    Cu = 29,
    Zn = 30,
    Ga = 31,
    Ge = 32,
    As = 33,
    Se = 34,
    Br = 35,
    Kr = 36,
    Rb = 37,
    Sr = 38,
    Y = 39,
    Zr = 40,
    Nb = 41,
    Mo = 42,
    Tc = 43,
    Ru = 44,
    Rh = 45,
    Pd = 46,
    Ag = 47,
    Cd = 48,
    In = 49,
    Sn = 50,
    Sb = 51,
    Te = 52,
    I = 53,
    Xe = 54,
    Cs = 55,
    Ba = 56,
    La = 57,
    Ce = 58,
    Pr = 59,
    Nd = 60,
    Pm = 61,
    Sm = 62,
    Eu = 63,
    Gd = 64,
    Tb = 65,
    Dy = 66,
    Ho = 67,
    Er = 68,
    Tm = 69,
    Yb = 70,
    Lu = 71,
    Hf = 72,
    Ta = 73,
    W = 74,
    Re = 75,
    Os = 76,
    Ir = 77,
    Pt = 78,
    Au = 79,
    Hg = 80,
    Tl = 81,
    Pb = 82,
    Bi = 83,
    Po = 84,
    At = 85,
    Rn = 86,
    Fr = 87,
    Ra = 88,
    Ac = 89,
    Th = 90,
    Pa = 91,
    U = 92,
    Np = 93,
    Pu = 94,
    Am = 95,
    Cm = 96,
    Bk = 97,
    Cf = 98,
    Es = 99,
    Fm = 100,
    Md = 101,
    No = 102,
    Lr = 103,
    Rf = 104,
    Db = 105,
    Sg = 106,
    Bh = 107,
    Hs = 108,
    Mt = 109,
    Ds = 110,
    Rg = 111,
    Cn = 112,
    Nh = 113,
    Fl = 114,
    Mc = 115,
    Lv = 116,
    Ts = 117,
    Og = 118,
}

Chemical element from the periodic table (Z = 1 through 118).

Each variant stores its atomic number in the repr(u8) discriminant, enabling efficient storage and fast comparisons. The type provides accessors for atomic mass, symbol, and atomic number, and implements FromStr for parsing element symbols from molecular file formats.

Examples

use dreid_forge::Element;
use std::str::FromStr;

let carbon = Element::C;
assert_eq!(carbon.symbol(), "C");
assert_eq!(carbon.atomic_number(), 6);
assert!((carbon.atomic_mass() - 12.011).abs() < 1e-3);

let parsed = Element::from_str("Fe").unwrap();
assert_eq!(parsed, Element::Fe);

Variants

H = 1

He = 2

Li = 3

Be = 4

B = 5

C = 6

N = 7

O = 8

F = 9

Ne = 10

Na = 11

Mg = 12

Al = 13

Si = 14

P = 15

S = 16

Cl = 17

Ar = 18

K = 19

Ca = 20

Sc = 21

Ti = 22

V = 23

Cr = 24

Mn = 25

Fe = 26

Co = 27

Ni = 28

Cu = 29

Zn = 30

Ga = 31

Ge = 32

As = 33

Se = 34

Br = 35

Kr = 36

Rb = 37

Sr = 38

Y = 39

Zr = 40

Nb = 41

Mo = 42

Tc = 43

Ru = 44

Rh = 45

Pd = 46

Ag = 47

Cd = 48

In = 49

Sn = 50

Sb = 51

Te = 52

I = 53

Xe = 54

Cs = 55

Ba = 56

La = 57

Ce = 58

Pr = 59

Nd = 60

Pm = 61

Sm = 62

Eu = 63

Gd = 64

Tb = 65

Dy = 66

Ho = 67

Er = 68

Tm = 69

Yb = 70

Lu = 71

Hf = 72

Ta = 73

W = 74

Re = 75

Os = 76

Ir = 77

Pt = 78

Au = 79

Hg = 80

Tl = 81

Pb = 82

Bi = 83

Po = 84

At = 85

Rn = 86

Fr = 87

Ra = 88

Ac = 89

Th = 90

Pa = 91

U = 92

Np = 93

Pu = 94

Am = 95

Cm = 96

Bk = 97

Cf = 98

Es = 99

Fm = 100

Md = 101

No = 102

Lr = 103

Rf = 104

Db = 105

Sg = 106

Bh = 107

Hs = 108

Mt = 109

Ds = 110

Rg = 111

Cn = 112

Nh = 113

Fl = 114

Mc = 115

Lv = 116

Ts = 117

Og = 118

Implementations

impl Element

pub fn atomic_mass(&self) -> f64

Returns the standard atomic mass in unified atomic mass units (Da).

Values are taken from IUPAC recommendations and are suitable for computing molecular masses in force field parameterization and simulation setup.

Returns

Atomic mass as f64 in Daltons.

pub fn atomic_number(&self) -> u8

Returns the atomic number (Z) of this element.

The value ranges from 1 (hydrogen) to 118 (oganesson) and corresponds to the number of protons in the nucleus.

Returns

Atomic number as u8.

pub fn symbol(&self) -> &'static str

Returns the standard chemical symbol for this element.

Symbols follow IUPAC conventions: one or two letters with the first capitalized (e.g., "H", "He", "Fe").

Returns

Static string slice containing the element symbol.

Trait Implementations

impl Clone for Element

fn clone(&self) -> Element

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for Element

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Display for Element

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl FromStr for Element

type Err = ParseElementError

The associated error which can be returned from parsing.

fn from_str(s: &str) -> Result<Self, Self::Err>

Parses a string s to return a value of this type.

impl Hash for Element

fn hash<__H: Hasher>(&self, state: &mut __H)

Feeds this value into the given Hasher.

fn hash_slice<H>(data: &[Self], state: &mut H)

where H: Hasher, Self: Sized,

Feeds a slice of this type into the given Hasher.

impl Ord for Element

fn cmp(&self, other: &Element) -> Ordering

This method returns an Ordering between self and other.

fn max(self, other: Self) -> Self

where Self: Sized,

Compares and returns the maximum of two values.

fn min(self, other: Self) -> Self

where Self: Sized,

Compares and returns the minimum of two values.

fn clamp(self, min: Self, max: Self) -> Self

where Self: Sized,

Restrict a value to a certain interval.

impl PartialEq for Element

fn eq(&self, other: &Element) -> bool

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl PartialOrd for Element

fn partial_cmp(&self, other: &Element) -> Option<Ordering>

This method returns an ordering between self and other values if one exists.

fn lt(&self, other: &Rhs) -> bool

Tests less than (for self and other) and is used by the < operator.

fn le(&self, other: &Rhs) -> bool

Tests less than or equal to (for self and other) and is used by the <= operator.

fn gt(&self, other: &Rhs) -> bool

Tests greater than (for self and other) and is used by the > operator.

fn ge(&self, other: &Rhs) -> bool

Tests greater than or equal to (for self and other) and is used by the >= operator.

impl Copy for Element

impl Eq for Element

impl StructuralPartialEq for Element