[−]Struct lumol::sim::output::TrajectoryOutput

pub struct TrajectoryOutput { /* fields omitted */ }

The TrajectoryOutput allows to write the trajectory of the system to a file, using any format supported by the Chemfiles library.

Implementations

impl TrajectoryOutput

pub fn new<P>(path: P) -> Result<TrajectoryOutput, Error> where    P: AsRef<Path>,

Create a new TrajectoryOutput writing to filename. The file is replaced if it already exists. The file format is guessed from the extension. Please refer to the list of supported formats for more information.

pub fn with_format<P>(path: P, format: &str) -> Result<TrajectoryOutput, Error> where    P: AsRef<Path>,

Create a new TrajectoryOutput writing to filename using the given format. The file is replaced if it already exists.

Blanket Implementations

impl<T> Pointable for T

type Init = T

The type for initializers.

impl<T, U> TryFrom<U> for T where    U: Into<T>, [src]

type Error = Infallible

The type returned in the event of a conversion error.

impl<T, U> TryInto<U> for T where    U: TryFrom<T>, [src]

type Error = <U as TryFrom<T>>::Error

The type returned in the event of a conversion error.