Struct Writer 

pub struct Writer { /* private fields */ }

Writer for TACO trajectory files

Implementations

impl Writer

pub fn create<P: AsRef<Path>>( path: P, num_atoms: u32, time_step: f64, simulation_metadata: SimulationMetadata, atom_metadata: AtomMetadata, compression_settings: CompressionSettings, ) -> Result<Self>

Create a new TACO writer

pub fn create_with_header<P: AsRef<Path>>( path: P, header: Header, ) -> Result<Self>

Create a new TACO writer with a custom header

pub fn write_frame(&mut self, frame: Frame) -> Result<()>

Write a single frame

pub fn write_frames(&mut self, frames: Vec<Frame>) -> Result<()>

Write multiple frames sequentially

pub fn finish(self) -> Result<()>

Finish writing the file, write the index and update the header