Struct PyTrajectoryWriter 

pub struct PyTrajectoryWriter {
    pub filename: String,
    pub format: String,
    pub closed: bool,
    pub frame_count: usize,
    pub frame_buffer: Vec<String>,
}

Multi-format trajectory writer (in-memory stub).

Fields

filename: String

Output filename.

format: String

Format string (e.g., "xyz", "lammps", "vtk").

closed: bool

Whether the writer has been closed.

frame_count: usize

Number of frames written.

frame_buffer: Vec<String>

Buffered frame strings.

Implementations

impl PyTrajectoryWriter

pub fn new(filename: impl Into<String>, format: impl Into<String>) -> Self

Create a new trajectory writer.

pub fn write_frame(&mut self, positions: &[f64], velocities: &[f64], step: u64)

Write a trajectory frame.

positions and velocities are flat \[x,y,z, …\] arrays; step is the integer simulation step number.

pub fn close(&mut self)

Close the writer (no further frames can be added).

pub fn is_closed(&self) -> bool

Return true if the writer is closed.

pub fn n_frames(&self) -> usize

Total number of frames written.

pub fn as_string(&self) -> String

Return buffered content as a string.

Trait Implementations

impl Clone for PyTrajectoryWriter

fn clone(&self) -> PyTrajectoryWriter

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for PyTrajectoryWriter

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

Formats the value using the given formatter.

impl Default for PyTrajectoryWriter

fn default() -> Self

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for PyTrajectoryWriter

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for PyTrajectoryWriter

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.