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DcdHeader

oxiphysics_io::xtc_dcd

Struct DcdHeader 

Source 
pub struct DcdHeader {
    pub n_atoms: u32,
    pub n_frames: u32,
    pub timestep: f32,
    pub title: String,
}
Expand description

Header metadata for a DCD file.

Fields§

§n_atoms: u32

Number of atoms.

§n_frames: u32

Number of frames.

§timestep: f32

Integration timestep (fs).

§title: String

Title string (up to 80 characters in the real format).

Implementations§

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impl DcdHeader

Source

pub fn duration(&self) -> f32

Duration of the trajectory in fs.

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