Struct pdbtbx::UnitCell

pub struct UnitCell { /* fields omitted */ }

A unit cell of a crystal, containing its dimensions and angles

Implementations

impl UnitCell

pub fn new(
    a: f64,
    b: f64,
    c: f64,
    alpha: f64,
    beta: f64,
    gamma: f64
) -> UnitCell

Create a new UnitCell construct.

Arguments

• a - a-axis dimension
• b - b-axis dimension
• c - c-axis dimension
• alpha - alpha angle in degrees
• beta - beta angle in degrees
• gamma - gamma angle in degrees

pub fn a(&self) -> f64

Get the a-axis dimension

pub fn b(&self) -> f64

Get the b-axis dimension

pub fn c(&self) -> f64

Get the c-axis dimension

pub fn alpha(&self) -> f64

Get the alpha angle in degrees

pub fn beta(&self) -> f64

Get the beta angle in degrees

pub fn gamma(&self) -> f64

Get the gamma angle in degrees

pub fn size(&self) -> (f64, f64, f64)

Get the dimensions in a tuple (a, b, c)

Trait Implementations

impl Clone for UnitCell

fn clone(&self) -> UnitCell

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for UnitCell

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

Formats the value using the given formatter.

impl PartialEq<UnitCell> for UnitCell

fn eq(&self, other: &Self) -> bool

This method tests for self and other values to be equal, and is used by ==.

#[must_use]pub fn ne(&self, other: &Rhs) -> bool

This method tests for !=.