Struct ContactMap 

pub struct ContactMap {
    pub chain_id: char,
    pub size: usize,
    pub distances: Vec<f64>,
}

A symmetric distance matrix for residue-residue contacts.

Fields

chain_id: char

Chain identifier.

size: usize

Number of residues (matrix is size × size).

distances: Vec<f64>

Row-major n×n distance matrix.

Implementations

impl ContactMap

pub fn get(&self, i: usize, j: usize) -> f64

Get the distance between residues i and j.

pub fn count_contacts(&self, cutoff: f64) -> usize

Count residue pairs with distance below the cutoff (excluding diagonal).

pub fn contacts_below(&self, cutoff: f64) -> Vec<(usize, usize)>

Return (i, j) pairs of residues in contact below the cutoff.

pub fn contact_density(&self, cutoff: f64) -> f64

Contact density: fraction of possible pairs below the cutoff.

Trait Implementations

impl Clone for ContactMap

fn clone(&self) -> ContactMap

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ContactMap

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

Formats the value using the given formatter.

impl Summarizable for ContactMap

fn summary(&self) -> String

A one-line summary suitable for display.