#[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 FluorineIsotope {
F13,
F14,
F15,
F16,
F17,
F18,
F19,
F20,
F21,
F22,
F23,
F24,
F25,
F26,
F27,
F28,
F29,
F30,
F31,
}
impl super::RelativeAtomicMass for FluorineIsotope {
#[inline]
fn relative_atomic_mass(&self) -> f64 {
match self {
Self::F13 => 13.045121f64,
Self::F14 => 14.034315f64,
Self::F15 => 15.018043f64,
Self::F16 => 16.0114657f64,
Self::F17 => 17.00209524f64,
Self::F18 => 18.00093733f64,
Self::F19 => 18.99840316273f64,
Self::F20 => 19.999981252f64,
Self::F21 => 20.9999489f64,
Self::F22 => 22.002999f64,
Self::F23 => 23.003557f64,
Self::F24 => 24.008115f64,
Self::F25 => 25.012199f64,
Self::F26 => 26.020038f64,
Self::F27 => 27.02644f64,
Self::F28 => 28.03534f64,
Self::F29 => 29.04254f64,
Self::F30 => 30.05165f64,
Self::F31 => 31.05971f64,
}
}
}
impl super::ElementVariant for FluorineIsotope {
#[inline]
fn element(&self) -> crate::Element {
crate::Element::F
}
}
impl super::MassNumber for FluorineIsotope {
#[inline]
fn mass_number(&self) -> u16 {
match self {
Self::F13 => 13u16,
Self::F14 => 14u16,
Self::F15 => 15u16,
Self::F16 => 16u16,
Self::F17 => 17u16,
Self::F18 => 18u16,
Self::F19 => 19u16,
Self::F20 => 20u16,
Self::F21 => 21u16,
Self::F22 => 22u16,
Self::F23 => 23u16,
Self::F24 => 24u16,
Self::F25 => 25u16,
Self::F26 => 26u16,
Self::F27 => 27u16,
Self::F28 => 28u16,
Self::F29 => 29u16,
Self::F30 => 30u16,
Self::F31 => 31u16,
}
}
}
impl super::IsotopicComposition for FluorineIsotope {
#[inline]
fn isotopic_composition(&self) -> Option<f64> {
match self {
Self::F19 => Some(1f64),
_ => None,
}
}
}
impl super::MostAbundantIsotope for FluorineIsotope {
fn most_abundant_isotope() -> Self {
Self::F19
}
}
impl From<FluorineIsotope> for crate::Isotope {
fn from(isotope: FluorineIsotope) -> Self {
crate::Isotope::F(isotope)
}
}
impl From<FluorineIsotope> for crate::Element {
fn from(_isotope: FluorineIsotope) -> Self {
crate::Element::F
}
}
impl TryFrom<u64> for FluorineIsotope {
type Error = crate::errors::Error;
fn try_from(value: u64) -> Result<Self, Self::Error> {
match value {
13u64 => Ok(Self::F13),
14u64 => Ok(Self::F14),
15u64 => Ok(Self::F15),
16u64 => Ok(Self::F16),
17u64 => Ok(Self::F17),
18u64 => Ok(Self::F18),
19u64 => Ok(Self::F19),
20u64 => Ok(Self::F20),
21u64 => Ok(Self::F21),
22u64 => Ok(Self::F22),
23u64 => Ok(Self::F23),
24u64 => Ok(Self::F24),
25u64 => Ok(Self::F25),
26u64 => Ok(Self::F26),
27u64 => Ok(Self::F27),
28u64 => Ok(Self::F28),
29u64 => Ok(Self::F29),
30u64 => Ok(Self::F30),
31u64 => Ok(Self::F31),
_ => Err(crate::errors::Error::Isotope(crate::Element::F, value)),
}
}
}
impl TryFrom<u8> for FluorineIsotope {
type Error = crate::errors::Error;
fn try_from(value: u8) -> Result<Self, Self::Error> {
Self::try_from(u64::from(value))
}
}
impl TryFrom<u16> for FluorineIsotope {
type Error = crate::errors::Error;
fn try_from(value: u16) -> Result<Self, Self::Error> {
Self::try_from(u64::from(value))
}
}
impl TryFrom<u32> for FluorineIsotope {
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 FluorineIsotope {
fn fmt(&self, f: &mut core::fmt::Formatter<'_>) -> core::fmt::Result {
match self {
Self::F13 => write!(f, "F13"),
Self::F14 => write!(f, "F14"),
Self::F15 => write!(f, "F15"),
Self::F16 => write!(f, "F16"),
Self::F17 => write!(f, "F17"),
Self::F18 => write!(f, "F18"),
Self::F19 => write!(f, "F19"),
Self::F20 => write!(f, "F20"),
Self::F21 => write!(f, "F21"),
Self::F22 => write!(f, "F22"),
Self::F23 => write!(f, "F23"),
Self::F24 => write!(f, "F24"),
Self::F25 => write!(f, "F25"),
Self::F26 => write!(f, "F26"),
Self::F27 => write!(f, "F27"),
Self::F28 => write!(f, "F28"),
Self::F29 => write!(f, "F29"),
Self::F30 => write!(f, "F30"),
Self::F31 => write!(f, "F31"),
}
}
}
#[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 FluorineIsotope::iter() {
let mass = isotope.relative_atomic_mass();
assert!(mass > 0.0, "Mass should be positive for {isotope:?}");
}
}
#[test]
fn test_element() {
for isotope in FluorineIsotope::iter() {
let element = isotope.element();
assert_eq!(element, crate::Element::F, "Element should be correct for {isotope:?}");
}
}
#[test]
fn test_mass_number() {
for isotope in FluorineIsotope::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 FluorineIsotope::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 = FluorineIsotope::most_abundant_isotope();
let _ = most_abundant.relative_atomic_mass();
}
#[test]
fn test_from_isotope() {
for isotope in FluorineIsotope::iter() {
let iso: crate::Isotope = isotope.into();
match iso {
crate::Isotope::F(i) => assert_eq!(i, isotope),
_ => panic!("Wrong isotope type"),
}
}
}
#[test]
fn test_from_element() {
for isotope in FluorineIsotope::iter() {
let elem: crate::Element = isotope.into();
assert_eq!(elem, crate::Element::F);
}
}
#[test]
fn test_try_from_mass_number() {
for isotope in FluorineIsotope::iter() {
let mass = isotope.mass_number();
let iso = FluorineIsotope::try_from(mass).unwrap();
assert_eq!(iso, isotope);
let iso_u32 = FluorineIsotope::try_from(u32::from(mass)).unwrap();
assert_eq!(iso_u32, isotope);
if let Ok(mass_u8) = u8::try_from(mass) {
let iso_u8 = FluorineIsotope::try_from(mass_u8).unwrap();
assert_eq!(iso_u8, isotope);
}
}
assert!(FluorineIsotope::try_from(0_u16).is_err());
assert!(FluorineIsotope::try_from(1000_u16).is_err());
assert!(FluorineIsotope::try_from(0_u32).is_err());
assert!(FluorineIsotope::try_from(1000_u32).is_err());
assert!(FluorineIsotope::try_from(0_u8).is_err());
}
#[test]
fn test_display() {
for isotope in FluorineIsotope::iter() {
let s = alloc::format!("{isotope}");
assert!(!s.is_empty(), "Display should not be empty for {isotope:?}");
}
}
}