#[derive(Debug, Clone, Copy, PartialEq, Eq, Hash, PartialOrd, Ord, strum :: EnumIter)]
#[cfg_attr(feature = "serde", derive(serde::Serialize, serde::Deserialize))]
#[cfg_attr(feature = "arbitrary", derive(arbitrary::Arbitrary))]
#[cfg_attr(feature = "mem_size", derive(mem_dbg::MemSize))]
#[cfg_attr(feature = "mem_dbg", derive(mem_dbg::MemDbg))]
#[cfg_attr(feature = "mem_size", mem_size(flat))]
pub enum ChlorineIsotope {
Cl28,
Cl29,
Cl30,
Cl31,
Cl32,
Cl33,
Cl34,
Cl35,
Cl36,
Cl37,
Cl38,
Cl39,
Cl40,
Cl41,
Cl42,
Cl43,
Cl44,
Cl45,
Cl46,
Cl47,
Cl48,
Cl49,
Cl50,
Cl51,
Cl52,
}
impl super::RelativeAtomicMass for ChlorineIsotope {
#[inline]
fn relative_atomic_mass(&self) -> f64 {
match self {
Self::Cl28 => 28.02954f64,
Self::Cl29 => 29.01478f64,
Self::Cl30 => 30.00477f64,
Self::Cl31 => 30.992414f64,
Self::Cl32 => 31.98568464f64,
Self::Cl33 => 32.97745199f64,
Self::Cl34 => 33.973762485f64,
Self::Cl35 => 34.968852682f64,
Self::Cl36 => 35.968306809f64,
Self::Cl37 => 36.965902602f64,
Self::Cl38 => 37.96801044f64,
Self::Cl39 => 38.9680082f64,
Self::Cl40 => 39.970415f64,
Self::Cl41 => 40.970685f64,
Self::Cl42 => 41.97325f64,
Self::Cl43 => 42.97389f64,
Self::Cl44 => 43.97787f64,
Self::Cl45 => 44.98029f64,
Self::Cl46 => 45.98517f64,
Self::Cl47 => 46.98916f64,
Self::Cl48 => 47.99564f64,
Self::Cl49 => 49.00123f64,
Self::Cl50 => 50.00905f64,
Self::Cl51 => 51.01554f64,
Self::Cl52 => 52.024004f64,
}
}
}
impl super::ElementVariant for ChlorineIsotope {
#[inline]
fn element(&self) -> crate::Element {
crate::Element::Cl
}
}
impl super::MassNumber for ChlorineIsotope {
#[inline]
fn mass_number(&self) -> u16 {
match self {
Self::Cl28 => 28u16,
Self::Cl29 => 29u16,
Self::Cl30 => 30u16,
Self::Cl31 => 31u16,
Self::Cl32 => 32u16,
Self::Cl33 => 33u16,
Self::Cl34 => 34u16,
Self::Cl35 => 35u16,
Self::Cl36 => 36u16,
Self::Cl37 => 37u16,
Self::Cl38 => 38u16,
Self::Cl39 => 39u16,
Self::Cl40 => 40u16,
Self::Cl41 => 41u16,
Self::Cl42 => 42u16,
Self::Cl43 => 43u16,
Self::Cl44 => 44u16,
Self::Cl45 => 45u16,
Self::Cl46 => 46u16,
Self::Cl47 => 47u16,
Self::Cl48 => 48u16,
Self::Cl49 => 49u16,
Self::Cl50 => 50u16,
Self::Cl51 => 51u16,
Self::Cl52 => 52u16,
}
}
}
impl super::IsotopicComposition for ChlorineIsotope {
#[inline]
fn isotopic_composition(&self) -> Option<f64> {
match self {
Self::Cl35 => Some(0.7576f64),
Self::Cl37 => Some(0.2424f64),
_ => None,
}
}
}
impl super::MostAbundantIsotope for ChlorineIsotope {
fn most_abundant_isotope() -> Self {
Self::Cl35
}
}
impl From<ChlorineIsotope> for crate::Isotope {
fn from(isotope: ChlorineIsotope) -> Self {
crate::Isotope::Cl(isotope)
}
}
impl From<ChlorineIsotope> for crate::Element {
fn from(_isotope: ChlorineIsotope) -> Self {
crate::Element::Cl
}
}
impl TryFrom<u64> for ChlorineIsotope {
type Error = crate::errors::Error;
fn try_from(value: u64) -> Result<Self, Self::Error> {
match value {
28u64 => Ok(Self::Cl28),
29u64 => Ok(Self::Cl29),
30u64 => Ok(Self::Cl30),
31u64 => Ok(Self::Cl31),
32u64 => Ok(Self::Cl32),
33u64 => Ok(Self::Cl33),
34u64 => Ok(Self::Cl34),
35u64 => Ok(Self::Cl35),
36u64 => Ok(Self::Cl36),
37u64 => Ok(Self::Cl37),
38u64 => Ok(Self::Cl38),
39u64 => Ok(Self::Cl39),
40u64 => Ok(Self::Cl40),
41u64 => Ok(Self::Cl41),
42u64 => Ok(Self::Cl42),
43u64 => Ok(Self::Cl43),
44u64 => Ok(Self::Cl44),
45u64 => Ok(Self::Cl45),
46u64 => Ok(Self::Cl46),
47u64 => Ok(Self::Cl47),
48u64 => Ok(Self::Cl48),
49u64 => Ok(Self::Cl49),
50u64 => Ok(Self::Cl50),
51u64 => Ok(Self::Cl51),
52u64 => Ok(Self::Cl52),
_ => Err(crate::errors::Error::Isotope(crate::Element::Cl, value)),
}
}
}
impl TryFrom<u8> for ChlorineIsotope {
type Error = crate::errors::Error;
fn try_from(value: u8) -> Result<Self, Self::Error> {
Self::try_from(u64::from(value))
}
}
impl TryFrom<u16> for ChlorineIsotope {
type Error = crate::errors::Error;
fn try_from(value: u16) -> Result<Self, Self::Error> {
Self::try_from(u64::from(value))
}
}
impl TryFrom<u32> for ChlorineIsotope {
type Error = crate::errors::Error;
fn try_from(value: u32) -> Result<Self, Self::Error> {
Self::try_from(u64::from(value))
}
}
impl core::fmt::Display for ChlorineIsotope {
fn fmt(&self, f: &mut core::fmt::Formatter<'_>) -> core::fmt::Result {
match self {
Self::Cl28 => write!(f, "Cl28"),
Self::Cl29 => write!(f, "Cl29"),
Self::Cl30 => write!(f, "Cl30"),
Self::Cl31 => write!(f, "Cl31"),
Self::Cl32 => write!(f, "Cl32"),
Self::Cl33 => write!(f, "Cl33"),
Self::Cl34 => write!(f, "Cl34"),
Self::Cl35 => write!(f, "Cl35"),
Self::Cl36 => write!(f, "Cl36"),
Self::Cl37 => write!(f, "Cl37"),
Self::Cl38 => write!(f, "Cl38"),
Self::Cl39 => write!(f, "Cl39"),
Self::Cl40 => write!(f, "Cl40"),
Self::Cl41 => write!(f, "Cl41"),
Self::Cl42 => write!(f, "Cl42"),
Self::Cl43 => write!(f, "Cl43"),
Self::Cl44 => write!(f, "Cl44"),
Self::Cl45 => write!(f, "Cl45"),
Self::Cl46 => write!(f, "Cl46"),
Self::Cl47 => write!(f, "Cl47"),
Self::Cl48 => write!(f, "Cl48"),
Self::Cl49 => write!(f, "Cl49"),
Self::Cl50 => write!(f, "Cl50"),
Self::Cl51 => write!(f, "Cl51"),
Self::Cl52 => write!(f, "Cl52"),
}
}
}
#[cfg(test)]
mod tests {
use strum::IntoEnumIterator;
use super::*;
use crate::isotopes::{
ElementVariant, IsotopicComposition, MassNumber, MostAbundantIsotope, RelativeAtomicMass,
};
#[test]
fn test_relative_atomic_mass() {
for isotope in ChlorineIsotope::iter() {
let mass = isotope.relative_atomic_mass();
assert!(mass > 0.0, "Mass should be positive for {isotope:?}");
}
}
#[test]
fn test_element() {
for isotope in ChlorineIsotope::iter() {
let element = isotope.element();
assert_eq!(element, crate::Element::Cl, "Element should be correct for {isotope:?}");
}
}
#[test]
fn test_mass_number() {
for isotope in ChlorineIsotope::iter() {
let mass_number = isotope.mass_number();
assert!(
mass_number > 0 && mass_number < 300,
"Mass number should be reasonable for {isotope:?}"
);
}
}
#[test]
fn test_isotopic_composition() {
for isotope in ChlorineIsotope::iter() {
let comp = isotope.isotopic_composition();
if let Some(c) = comp {
assert!(
(0.0..=1.0).contains(&c),
"Composition should be between 0 and 1 for {isotope:?}"
);
}
}
}
#[test]
fn test_most_abundant() {
let most_abundant = ChlorineIsotope::most_abundant_isotope();
let _ = most_abundant.relative_atomic_mass();
}
#[test]
fn test_from_isotope() {
for isotope in ChlorineIsotope::iter() {
let iso: crate::Isotope = isotope.into();
match iso {
crate::Isotope::Cl(i) => assert_eq!(i, isotope),
_ => panic!("Wrong isotope type"),
}
}
}
#[test]
fn test_from_element() {
for isotope in ChlorineIsotope::iter() {
let elem: crate::Element = isotope.into();
assert_eq!(elem, crate::Element::Cl);
}
}
#[test]
fn test_try_from_mass_number() {
for isotope in ChlorineIsotope::iter() {
let mass = isotope.mass_number();
let iso = ChlorineIsotope::try_from(mass).unwrap();
assert_eq!(iso, isotope);
let iso_u32 = ChlorineIsotope::try_from(u32::from(mass)).unwrap();
assert_eq!(iso_u32, isotope);
if let Ok(mass_u8) = u8::try_from(mass) {
let iso_u8 = ChlorineIsotope::try_from(mass_u8).unwrap();
assert_eq!(iso_u8, isotope);
}
}
assert!(ChlorineIsotope::try_from(0_u16).is_err());
assert!(ChlorineIsotope::try_from(1000_u16).is_err());
assert!(ChlorineIsotope::try_from(0_u32).is_err());
assert!(ChlorineIsotope::try_from(1000_u32).is_err());
assert!(ChlorineIsotope::try_from(0_u8).is_err());
}
#[test]
fn test_display() {
for isotope in ChlorineIsotope::iter() {
let s = alloc::format!("{isotope}");
assert!(!s.is_empty(), "Display should not be empty for {isotope:?}");
}
}
}