Struct Trajectory 

pub struct Trajectory {
    pub frames: Vec<Frame>,
    pub step: Option<Vec<i64>>,
    pub time: Option<Vec<f64>>,
}

Trajectory-like list of frame states plus shared indexing arrays.

Fields

frames: Vec<Frame>

Ordered frame-like states.

step: Option<Vec<i64>>

Optional discrete step indices.

time: Option<Vec<f64>>

Optional physical time values.

Implementations

impl Trajectory

pub fn new() -> Trajectory

Create an empty trajectory.

pub fn from_frames(frames: Vec<Frame>) -> Trajectory

Build a trajectory from frame states.

pub fn len(&self) -> usize

Number of states.

pub fn is_empty(&self) -> bool

Returns true when no states are stored.

pub fn validate(&self) -> Result<(), MolRsError>

Validate shared axis lengths.

Trait Implementations

impl Clone for Trajectory

fn clone(&self) -> Trajectory

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for Trajectory

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

Formats the value using the given formatter.

impl Default for Trajectory

fn default() -> Trajectory

Returns the “default value” for a type.