#[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))]
pub enum CarbonIsotope {
C8,
C9,
C10,
C11,
C12,
C13,
C14,
C15,
C16,
C17,
C18,
C19,
C20,
C22,
}
impl super::RelativeAtomicMass for CarbonIsotope {
#[inline]
fn relative_atomic_mass(&self) -> f64 {
match self {
Self::C8 => 8.037643f64,
Self::C9 => 9.0310372f64,
Self::C10 => 10.01685331f64,
Self::C11 => 11.0114336f64,
Self::C12 => 12f64,
Self::C13 => 13.00335483507f64,
Self::C14 => 14.0032419884f64,
Self::C15 => 15.01059926f64,
Self::C16 => 16.0147013f64,
Self::C17 => 17.022577f64,
Self::C18 => 18.026751f64,
Self::C19 => 19.0348f64,
Self::C20 => 20.04032f64,
Self::C22 => 22.05753f64,
}
}
}
impl super::ElementVariant for CarbonIsotope {
#[inline]
fn element(&self) -> crate::Element {
crate::Element::C
}
}
impl super::MassNumber for CarbonIsotope {
#[inline]
fn mass_number(&self) -> u16 {
match self {
Self::C8 => 8u16,
Self::C9 => 9u16,
Self::C10 => 10u16,
Self::C11 => 11u16,
Self::C12 => 12u16,
Self::C13 => 13u16,
Self::C14 => 14u16,
Self::C15 => 15u16,
Self::C16 => 16u16,
Self::C17 => 17u16,
Self::C18 => 18u16,
Self::C19 => 19u16,
Self::C20 => 20u16,
Self::C22 => 22u16,
}
}
}
impl super::IsotopicComposition for CarbonIsotope {
#[inline]
fn isotopic_composition(&self) -> Option<f64> {
match self {
Self::C12 => Some(0.9893f64),
Self::C13 => Some(0.0107f64),
_ => None,
}
}
}
impl super::MostAbundantIsotope for CarbonIsotope {
fn most_abundant_isotope() -> Self {
Self::C12
}
}
impl From<CarbonIsotope> for crate::Isotope {
fn from(isotope: CarbonIsotope) -> Self {
crate::Isotope::C(isotope)
}
}
impl From<CarbonIsotope> for crate::Element {
fn from(_isotope: CarbonIsotope) -> Self {
crate::Element::C
}
}
impl TryFrom<u64> for CarbonIsotope {
type Error = crate::errors::Error;
fn try_from(value: u64) -> Result<Self, Self::Error> {
match value {
8u64 => Ok(Self::C8),
9u64 => Ok(Self::C9),
10u64 => Ok(Self::C10),
11u64 => Ok(Self::C11),
12u64 => Ok(Self::C12),
13u64 => Ok(Self::C13),
14u64 => Ok(Self::C14),
15u64 => Ok(Self::C15),
16u64 => Ok(Self::C16),
17u64 => Ok(Self::C17),
18u64 => Ok(Self::C18),
19u64 => Ok(Self::C19),
20u64 => Ok(Self::C20),
22u64 => Ok(Self::C22),
_ => Err(crate::errors::Error::Isotope(crate::Element::C, value)),
}
}
}
impl TryFrom<u8> for CarbonIsotope {
type Error = crate::errors::Error;
fn try_from(value: u8) -> Result<Self, Self::Error> {
Self::try_from(u64::from(value))
}
}
impl TryFrom<u16> for CarbonIsotope {
type Error = crate::errors::Error;
fn try_from(value: u16) -> Result<Self, Self::Error> {
Self::try_from(u64::from(value))
}
}
impl TryFrom<u32> for CarbonIsotope {
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 CarbonIsotope {
fn fmt(&self, f: &mut core::fmt::Formatter<'_>) -> core::fmt::Result {
match self {
Self::C8 => write!(f, "C8"),
Self::C9 => write!(f, "C9"),
Self::C10 => write!(f, "C10"),
Self::C11 => write!(f, "C11"),
Self::C12 => write!(f, "C12"),
Self::C13 => write!(f, "C13"),
Self::C14 => write!(f, "C14"),
Self::C15 => write!(f, "C15"),
Self::C16 => write!(f, "C16"),
Self::C17 => write!(f, "C17"),
Self::C18 => write!(f, "C18"),
Self::C19 => write!(f, "C19"),
Self::C20 => write!(f, "C20"),
Self::C22 => write!(f, "C22"),
}
}
}
#[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 CarbonIsotope::iter() {
let mass = isotope.relative_atomic_mass();
assert!(mass > 0.0, "Mass should be positive for {isotope:?}");
}
}
#[test]
fn test_element() {
for isotope in CarbonIsotope::iter() {
let element = isotope.element();
assert_eq!(element, crate::Element::C, "Element should be correct for {isotope:?}");
}
}
#[test]
fn test_mass_number() {
for isotope in CarbonIsotope::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 CarbonIsotope::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 = CarbonIsotope::most_abundant_isotope();
let _ = most_abundant.relative_atomic_mass();
}
#[test]
fn test_from_isotope() {
for isotope in CarbonIsotope::iter() {
let iso: crate::Isotope = isotope.into();
match iso {
crate::Isotope::C(i) => assert_eq!(i, isotope),
_ => panic!("Wrong isotope type"),
}
}
}
#[test]
fn test_from_element() {
for isotope in CarbonIsotope::iter() {
let elem: crate::Element = isotope.into();
assert_eq!(elem, crate::Element::C);
}
}
#[test]
fn test_try_from_mass_number() {
for isotope in CarbonIsotope::iter() {
let mass = isotope.mass_number();
let iso = CarbonIsotope::try_from(mass).unwrap();
assert_eq!(iso, isotope);
let iso_u32 = CarbonIsotope::try_from(u32::from(mass)).unwrap();
assert_eq!(iso_u32, isotope);
if let Ok(mass_u8) = u8::try_from(mass) {
let iso_u8 = CarbonIsotope::try_from(mass_u8).unwrap();
assert_eq!(iso_u8, isotope);
}
}
assert!(CarbonIsotope::try_from(0_u16).is_err());
assert!(CarbonIsotope::try_from(1000_u16).is_err());
assert!(CarbonIsotope::try_from(0_u32).is_err());
assert!(CarbonIsotope::try_from(1000_u32).is_err());
assert!(CarbonIsotope::try_from(0_u8).is_err());
}
#[test]
fn test_display() {
for isotope in CarbonIsotope::iter() {
let s = alloc::format!("{isotope}");
assert!(!s.is_empty(), "Display should not be empty for {isotope:?}");
}
}
}