mod python

module python

Structs and Unions

struct PyAtomDatum

Python-visible atom data.

symbol: String
x: f64
y: f64
z: f64
is_fixed: bool
atom_id: u64
mass: Option<f64>
vx: Option<f64>
vy: Option<f64>
vz: Option<f64>

Implementations

impl PyAtomDatum
impl PyAtomDatum
struct PyConFrame

Python-visible simulation frame.

cell: [f64; 3]
angles: [f64; 3]
prebox_header: Vec<String>
postbox_header: Vec<String>
has_velocities: bool

Implementations

impl PyConFrame
impl PyConFrame

Traits implemented

impl From<&ConFrame> for PyConFrame