Struct ResiduesTable 

pub struct ResiduesTable {
    pub comp_id: Vec<String>,
    pub label_seq_id: Vec<i32>,
    pub auth_seq_id: Vec<i32>,
    pub ins_code: Vec<Option<char>>,
    pub group: Vec<ResidueGroup>,
}

Per-residue topology data.

Each field is a parallel array indexed by residue index.

Fields

comp_id: Vec<String>

Residue name (CCD component ID), e.g. “ALA”, “HOH”, “ATP”.

label_seq_id: Vec<i32>

Internal sequential residue index (label_seq_id in mmCIF).

auth_seq_id: Vec<i32>

Author-assigned sequence number (auth_seq_id in mmCIF). Used as the primary sort key for canonical iteration order within a chain.

ins_code: Vec<Option<char>>

Insertion code (e.g. Some('A')), or None. Secondary sort key for canonical order.

group: Vec<ResidueGroup>

Whether this residue belongs to a polymer or non-polymer group.

Implementations

impl ResiduesTable

pub fn len(&self) -> usize

Number of residues.

pub fn is_empty(&self) -> bool

Returns true if the table contains no residues.

Trait Implementations

impl Clone for ResiduesTable

fn clone(&self) -> ResiduesTable

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ResiduesTable

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

Formats the value using the given formatter.