Struct FilterNone

pub struct FilterNone {}

A filter that includes all atoms without any filtering criteria.

This struct implements the Filter trait and represents the absence of filtering. It treats all atoms as both center and other atoms, making it useful for calculations that should include all possible atom pairs in the system.

Characteristics

• Center atoms: All atoms in the system
• Other atoms: All atoms in the system
• center_is_other: Always returns false (no special handling needed)

Use Cases

• Global analysis: Calculate properties considering all atoms equally
• Benchmarking: Compare filtered vs. unfiltered results
• Simple systems: When element or tag-based filtering is unnecessary
• Default behavior: Fallback when no specific filtering is required

Performance Note

While FilterNone provides optimized implementations that avoid unnecessary filtering operations, be aware that including all atoms can result in O(N²) computational complexity for pairwise calculations.

Examples

use fastatomstruct::atoms::{FilterNone, Filter, Atom, Element};
use nalgebra::Point3;

let atoms = vec![
    Atom { element: Element::H, position: Point3::new(0.0, 0.0, 0.0), ..Default::default() },
    Atom { element: Element::He, position: Point3::new(1.0, 0.0, 0.0), ..Default::default() },
    Atom { element: Element::Li, position: Point3::new(2.0, 0.0, 0.0), ..Default::default() },
];

let filter = FilterNone {};

// All atoms are considered center atoms
assert!(filter.is_center(&atoms[0]));  // H
assert!(filter.is_center(&atoms[1]));  // He  
assert!(filter.is_center(&atoms[2]));  // Li

// All atoms are considered other atoms
assert!(filter.is_other(&atoms[0]));   // H
assert!(filter.is_other(&atoms[1]));   // He
assert!(filter.is_other(&atoms[2]));   // Li

// No special center/other relationship
assert!(!filter.center_is_other());

Trait Implementations

impl Clone for FilterNone

fn clone(&self) -> FilterNone

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for FilterNone

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Filter for FilterNone

fn is_center(&self, _atom: &Atom) -> bool

Check if an atom is a center atom.

fn is_other(&self, _atom: &Atom) -> bool

Check if an atom is an other atom.

fn center_is_other(&self) -> bool

Check if the center atom is also an other atom.

fn range_filtered_center<A: AtomsExt>(&self, atoms: &A) -> Vec<usize>

Returns the indices of atoms that pass the filter criteria for the center atoms.

fn range_filtered_other<A: AtomsExt>(&self, atoms: &A) -> Vec<usize>

Returns the indices of atoms that pass the filter criteria for the other atoms.

fn len_filtered_center<A: AtomsExt>(&self, atoms: &A) -> usize

Returns the number of atoms that pass the filter criteria for the center atoms.

fn len_filtered_other<A: AtomsExt>(&self, atoms: &A) -> usize

Returns the number of atoms that pass the filter criteria for the other atoms.

fn iter_center<'a, A: AtomsExt>( &'a self, atoms: &'a A, ) -> impl Iterator<Item = &'a Atom> + 'a

Returns an iterator over the center atoms.

fn iter_other<'a, A: AtomsExt>( &'a self, atoms: &'a A, ) -> impl Iterator<Item = &'a Atom> + 'a

Returns an iterator over the other atoms.

impl Copy for FilterNone