Struct PbcSpec 

pub struct PbcSpec {
    pub min: [f64; 3],
    pub max: [f64; 3],
}

Periodic-boundary box declared at the top level via pbc.

Packmol accepts two forms (getinp.f90):

• pbc X Y Z → min = [0,0,0], max = [X,Y,Z]
• pbc X0 Y0 Z0 X1 Y1 Z1 → min = [X0,Y0,Z0], max = [X1,Y1,Z1]

Both forms declare periodicity on every axis.

Fields

min: [f64; 3]

max: [f64; 3]

Trait Implementations

impl Clone for PbcSpec

fn clone(&self) -> PbcSpec

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Copy for PbcSpec

impl Debug for PbcSpec

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

Formats the value using the given formatter.

impl PartialEq for PbcSpec

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

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl StructuralPartialEq for PbcSpec