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//! Submodule providing a bitmask based on a `u128` to represent sets of
//! elements observed in a molecule.
use crate::Element;
/// Struct representing a set of elements as a bitmask.
///
/// Each bit in the `u128` corresponds to an element in the periodic table,
/// with the least significant bit representing Hydrogen (H, atomic number 1)
/// and the most significant bit representing Oganesson (Og, atomic number 118).
#[derive(Debug, Default, Clone, Copy, PartialEq, Eq, Hash)]
#[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 struct ElementMask(u128);
impl From<Element> for ElementMask {
/// # Examples
///
/// ```rust
/// use elements_rs::{Element, ElementMask};
///
/// let mask: ElementMask = Element::H.into();
/// assert!(mask.contains(Element::H));
/// ```
fn from(element: Element) -> Self {
let mut mask = ElementMask::default();
mask.insert(element);
mask
}
}
impl ElementMask {
/// Returns whether the bitmask contains the specified element.
///
/// # Arguments
///
/// * `element` - The element to check for in the bitmask.
///
/// # Examples
///
/// ```rust
/// use elements_rs::{Element, ElementMask};
///
/// let mut mask = ElementMask::default();
/// mask.insert(Element::H);
/// assert!(mask.contains(Element::H));
/// assert!(!mask.contains(Element::He));
/// ```
#[must_use]
pub fn contains(&self, element: Element) -> bool {
let atomic_number: u8 = element.into();
let index = u32::from(atomic_number - 1);
(self.0 & (1 << index)) != 0
}
/// Inserts an element into the bitmask and returns
/// whether the element was not already present.
///
/// # Arguments
///
/// * `element` - The element to insert into the bitmask.
///
/// # Examples
///
/// ```rust
/// use elements_rs::{Element, ElementMask};
///
/// let mut mask = ElementMask::default();
/// assert!(mask.insert(Element::H)); // Was not present
/// assert!(!mask.insert(Element::H)); // Already present
/// ```
pub fn insert(&mut self, element: Element) -> bool {
let atomic_number: u8 = element.into();
let index = u32::from(atomic_number - 1_u8);
let was_present = self.contains(element);
self.0 |= 1 << index;
!was_present
}
}
impl FromIterator<Element> for ElementMask {
/// # Examples
///
/// ```rust
/// # extern crate alloc;
/// use elements_rs::{Element, ElementMask};
///
/// let elements = alloc::vec![Element::H, Element::He];
/// let mask: ElementMask = elements.into_iter().collect();
/// assert!(mask.contains(Element::H));
/// assert!(mask.contains(Element::He));
/// ```
fn from_iter<T: IntoIterator<Item = Element>>(iter: T) -> Self {
let mut mask = ElementMask::default();
for element in iter {
mask.insert(element);
}
mask
}
}
impl core::iter::IntoIterator for ElementMask {
type Item = Element;
type IntoIter = ElementMaskIterator;
/// # Examples
///
/// ```rust
/// # extern crate alloc;
/// use elements_rs::{Element, ElementMask};
///
/// let mut mask = ElementMask::default();
/// mask.insert(Element::H);
/// mask.insert(Element::He);
/// let elements: Vec<Element> = mask.into_iter().collect();
/// assert_eq!(elements, alloc::vec![Element::H, Element::He]);
/// ```
fn into_iter(self) -> Self::IntoIter {
ElementMaskIterator { mask: self.0, index: 0 }
}
}
/// Iterator over the elements in an `ElementMask`.
#[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 struct ElementMaskIterator {
mask: u128,
index: u8,
}
impl Iterator for ElementMaskIterator {
type Item = Element;
fn next(&mut self) -> Option<Self::Item> {
while self.index < 128 {
if (self.mask & (1 << self.index)) != 0 {
let element = Element::try_from(self.index + 1).unwrap();
self.index += 1;
return Some(element);
}
self.index += 1;
}
None
}
}