Struct AtomsTable 

pub struct AtomsTable {
    pub atom_name: Vec<String>,
    pub element: Vec<String>,
    pub alt_loc: Vec<Option<char>>,
    pub formal_charge: Vec<Option<i8>>,
}

Per-atom topology data (not coordinates — those live in [AtomicConformation]).

Each field is a parallel array indexed by atom index.

Fields

atom_name: Vec<String>

Atom name, e.g. “CA”, “N”, “CB”.

element: Vec<String>

Element symbol, e.g. “C”, “N”, “O”, “S”.

alt_loc: Vec<Option<char>>

Alternative location indicator (e.g. Some('A')), or None.

formal_charge: Vec<Option<i8>>

Formal charge, or None if unspecified.

Implementations

impl AtomsTable

pub fn len(&self) -> usize

Number of atoms.

pub fn is_empty(&self) -> bool

Returns true if the table contains no atoms.

Trait Implementations

impl Clone for AtomsTable

fn clone(&self) -> AtomsTable

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for AtomsTable

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

Formats the value using the given formatter.