elements_rs 0.2.5

A comprehensive library for chemical elements and their isotopes with rich metadata
Documentation
//! Isotopes of the element Calcium
#[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))]
/// Isotopes of the element Calcium
pub enum CalciumIsotope {
    /// Isotope Ca34 of Calcium
    Ca34,
    /// Isotope Ca35 of Calcium
    Ca35,
    /// Isotope Ca36 of Calcium
    Ca36,
    /// Isotope Ca37 of Calcium
    Ca37,
    /// Isotope Ca38 of Calcium
    Ca38,
    /// Isotope Ca39 of Calcium
    Ca39,
    /// Isotope Ca40 of Calcium
    Ca40,
    /// Isotope Ca41 of Calcium
    Ca41,
    /// Isotope Ca42 of Calcium
    Ca42,
    /// Isotope Ca43 of Calcium
    Ca43,
    /// Isotope Ca44 of Calcium
    Ca44,
    /// Isotope Ca45 of Calcium
    Ca45,
    /// Isotope Ca46 of Calcium
    Ca46,
    /// Isotope Ca47 of Calcium
    Ca47,
    /// Isotope Ca48 of Calcium
    Ca48,
    /// Isotope Ca49 of Calcium
    Ca49,
    /// Isotope Ca50 of Calcium
    Ca50,
    /// Isotope Ca51 of Calcium
    Ca51,
    /// Isotope Ca52 of Calcium
    Ca52,
    /// Isotope Ca53 of Calcium
    Ca53,
    /// Isotope Ca54 of Calcium
    Ca54,
    /// Isotope Ca55 of Calcium
    Ca55,
    /// Isotope Ca56 of Calcium
    Ca56,
    /// Isotope Ca57 of Calcium
    Ca57,
    /// Isotope Ca58 of Calcium
    Ca58,
    /// Isotope Ca59 of Calcium
    Ca59,
    /// Isotope Ca60 of Calcium
    Ca60,
}
impl super::RelativeAtomicMass for CalciumIsotope {
    #[inline]
    fn relative_atomic_mass(&self) -> f64 {
        match self {
            Self::Ca34 => 34.01487f64,
            Self::Ca35 => 35.00514f64,
            Self::Ca36 => 35.993074f64,
            Self::Ca37 => 36.98589785f64,
            Self::Ca38 => 37.97631922f64,
            Self::Ca39 => 38.97071081f64,
            Self::Ca40 => 39.962590863f64,
            Self::Ca41 => 40.96227792f64,
            Self::Ca42 => 41.95861783f64,
            Self::Ca43 => 42.95876644f64,
            Self::Ca44 => 43.95548156f64,
            Self::Ca45 => 44.95618635f64,
            Self::Ca46 => 45.953689f64,
            Self::Ca47 => 46.9545424f64,
            Self::Ca48 => 47.95252276f64,
            Self::Ca49 => 48.95566274f64,
            Self::Ca50 => 49.9574992f64,
            Self::Ca51 => 50.960989f64,
            Self::Ca52 => 51.963217f64,
            Self::Ca53 => 52.96945f64,
            Self::Ca54 => 53.9734f64,
            Self::Ca55 => 54.9803f64,
            Self::Ca56 => 55.98508f64,
            Self::Ca57 => 56.99262f64,
            Self::Ca58 => 57.99794f64,
            Self::Ca59 => 59.006237f64,
            Self::Ca60 => 60.011809f64,
        }
    }
}
impl super::ElementVariant for CalciumIsotope {
    #[inline]
    fn element(&self) -> crate::Element {
        crate::Element::Ca
    }
}
impl super::MassNumber for CalciumIsotope {
    #[inline]
    fn mass_number(&self) -> u16 {
        match self {
            Self::Ca34 => 34u16,
            Self::Ca35 => 35u16,
            Self::Ca36 => 36u16,
            Self::Ca37 => 37u16,
            Self::Ca38 => 38u16,
            Self::Ca39 => 39u16,
            Self::Ca40 => 40u16,
            Self::Ca41 => 41u16,
            Self::Ca42 => 42u16,
            Self::Ca43 => 43u16,
            Self::Ca44 => 44u16,
            Self::Ca45 => 45u16,
            Self::Ca46 => 46u16,
            Self::Ca47 => 47u16,
            Self::Ca48 => 48u16,
            Self::Ca49 => 49u16,
            Self::Ca50 => 50u16,
            Self::Ca51 => 51u16,
            Self::Ca52 => 52u16,
            Self::Ca53 => 53u16,
            Self::Ca54 => 54u16,
            Self::Ca55 => 55u16,
            Self::Ca56 => 56u16,
            Self::Ca57 => 57u16,
            Self::Ca58 => 58u16,
            Self::Ca59 => 59u16,
            Self::Ca60 => 60u16,
        }
    }
}
impl super::IsotopicComposition for CalciumIsotope {
    #[inline]
    fn isotopic_composition(&self) -> Option<f64> {
        match self {
            Self::Ca40 => Some(0.96941f64),
            Self::Ca42 => Some(0.00647f64),
            Self::Ca43 => Some(0.00135f64),
            Self::Ca44 => Some(0.02086f64),
            Self::Ca46 => Some(0.00004f64),
            Self::Ca48 => Some(0.00187f64),
            _ => None,
        }
    }
}
impl super::MostAbundantIsotope for CalciumIsotope {
    fn most_abundant_isotope() -> Self {
        Self::Ca40
    }
}
impl From<CalciumIsotope> for crate::Isotope {
    fn from(isotope: CalciumIsotope) -> Self {
        crate::Isotope::Ca(isotope)
    }
}
impl From<CalciumIsotope> for crate::Element {
    fn from(_isotope: CalciumIsotope) -> Self {
        crate::Element::Ca
    }
}
impl TryFrom<u64> for CalciumIsotope {
    type Error = crate::errors::Error;
    fn try_from(value: u64) -> Result<Self, Self::Error> {
        match value {
            34u64 => Ok(Self::Ca34),
            35u64 => Ok(Self::Ca35),
            36u64 => Ok(Self::Ca36),
            37u64 => Ok(Self::Ca37),
            38u64 => Ok(Self::Ca38),
            39u64 => Ok(Self::Ca39),
            40u64 => Ok(Self::Ca40),
            41u64 => Ok(Self::Ca41),
            42u64 => Ok(Self::Ca42),
            43u64 => Ok(Self::Ca43),
            44u64 => Ok(Self::Ca44),
            45u64 => Ok(Self::Ca45),
            46u64 => Ok(Self::Ca46),
            47u64 => Ok(Self::Ca47),
            48u64 => Ok(Self::Ca48),
            49u64 => Ok(Self::Ca49),
            50u64 => Ok(Self::Ca50),
            51u64 => Ok(Self::Ca51),
            52u64 => Ok(Self::Ca52),
            53u64 => Ok(Self::Ca53),
            54u64 => Ok(Self::Ca54),
            55u64 => Ok(Self::Ca55),
            56u64 => Ok(Self::Ca56),
            57u64 => Ok(Self::Ca57),
            58u64 => Ok(Self::Ca58),
            59u64 => Ok(Self::Ca59),
            60u64 => Ok(Self::Ca60),
            _ => Err(crate::errors::Error::Isotope(crate::Element::Ca, value)),
        }
    }
}
impl TryFrom<u8> for CalciumIsotope {
    type Error = crate::errors::Error;
    fn try_from(value: u8) -> Result<Self, Self::Error> {
        Self::try_from(u64::from(value))
    }
}
impl TryFrom<u16> for CalciumIsotope {
    type Error = crate::errors::Error;
    fn try_from(value: u16) -> Result<Self, Self::Error> {
        Self::try_from(u64::from(value))
    }
}
impl TryFrom<u32> for CalciumIsotope {
    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 CalciumIsotope {
    fn fmt(&self, f: &mut core::fmt::Formatter<'_>) -> core::fmt::Result {
        match self {
            Self::Ca34 => write!(f, "Ca34"),
            Self::Ca35 => write!(f, "Ca35"),
            Self::Ca36 => write!(f, "Ca36"),
            Self::Ca37 => write!(f, "Ca37"),
            Self::Ca38 => write!(f, "Ca38"),
            Self::Ca39 => write!(f, "Ca39"),
            Self::Ca40 => write!(f, "Ca40"),
            Self::Ca41 => write!(f, "Ca41"),
            Self::Ca42 => write!(f, "Ca42"),
            Self::Ca43 => write!(f, "Ca43"),
            Self::Ca44 => write!(f, "Ca44"),
            Self::Ca45 => write!(f, "Ca45"),
            Self::Ca46 => write!(f, "Ca46"),
            Self::Ca47 => write!(f, "Ca47"),
            Self::Ca48 => write!(f, "Ca48"),
            Self::Ca49 => write!(f, "Ca49"),
            Self::Ca50 => write!(f, "Ca50"),
            Self::Ca51 => write!(f, "Ca51"),
            Self::Ca52 => write!(f, "Ca52"),
            Self::Ca53 => write!(f, "Ca53"),
            Self::Ca54 => write!(f, "Ca54"),
            Self::Ca55 => write!(f, "Ca55"),
            Self::Ca56 => write!(f, "Ca56"),
            Self::Ca57 => write!(f, "Ca57"),
            Self::Ca58 => write!(f, "Ca58"),
            Self::Ca59 => write!(f, "Ca59"),
            Self::Ca60 => write!(f, "Ca60"),
        }
    }
}
#[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 CalciumIsotope::iter() {
            let mass = isotope.relative_atomic_mass();
            assert!(mass > 0.0, "Mass should be positive for {isotope:?}");
        }
    }
    #[test]
    fn test_element() {
        for isotope in CalciumIsotope::iter() {
            let element = isotope.element();
            assert_eq!(element, crate::Element::Ca, "Element should be correct for {isotope:?}");
        }
    }
    #[test]
    fn test_mass_number() {
        for isotope in CalciumIsotope::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 CalciumIsotope::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 = CalciumIsotope::most_abundant_isotope();
        let _ = most_abundant.relative_atomic_mass();
    }
    #[test]
    fn test_from_isotope() {
        for isotope in CalciumIsotope::iter() {
            let iso: crate::Isotope = isotope.into();
            match iso {
                crate::Isotope::Ca(i) => assert_eq!(i, isotope),
                _ => panic!("Wrong isotope type"),
            }
        }
    }
    #[test]
    fn test_from_element() {
        for isotope in CalciumIsotope::iter() {
            let elem: crate::Element = isotope.into();
            assert_eq!(elem, crate::Element::Ca);
        }
    }
    #[test]
    fn test_try_from_mass_number() {
        for isotope in CalciumIsotope::iter() {
            let mass = isotope.mass_number();
            let iso = CalciumIsotope::try_from(mass).unwrap();
            assert_eq!(iso, isotope);
            let iso_u32 = CalciumIsotope::try_from(u32::from(mass)).unwrap();
            assert_eq!(iso_u32, isotope);
            if let Ok(mass_u8) = u8::try_from(mass) {
                let iso_u8 = CalciumIsotope::try_from(mass_u8).unwrap();
                assert_eq!(iso_u8, isotope);
            }
        }
        assert!(CalciumIsotope::try_from(0_u16).is_err());
        assert!(CalciumIsotope::try_from(1000_u16).is_err());
        assert!(CalciumIsotope::try_from(0_u32).is_err());
        assert!(CalciumIsotope::try_from(1000_u32).is_err());
        assert!(CalciumIsotope::try_from(0_u8).is_err());
    }
    #[test]
    fn test_display() {
        for isotope in CalciumIsotope::iter() {
            let s = alloc::format!("{isotope}");
            assert!(!s.is_empty(), "Display should not be empty for {isotope:?}");
        }
    }
}