Struct NetcdfFile 

pub struct NetcdfFile {
    pub dimensions: HashMap<String, usize>,
    pub variables: Vec<NetcdfVariable>,
    pub global_attrs: Vec<(String, String)>,
}

In-memory NetCDF-like file using HashMap for O(1) dimension lookups.

Fields

dimensions: HashMap<String, usize>

Dimension name → size.

variables: Vec<NetcdfVariable>

Variables.

global_attrs: Vec<(String, String)>

Global attributes as (key, value) pairs.

Implementations

impl NetcdfFile

pub fn new() -> Self

Create a new empty NetcdfFile.

pub fn add_dimension(&mut self, name: &str, size: usize)

Add a named dimension with size size.

pub fn add_variable(&mut self, var: NetcdfVariable)

Add a variable.

pub fn add_global_attr(&mut self, key: &str, value: &str)

Add a global attribute.

pub fn write_cdl(&self) -> String

Serialize to a CDL text string.

pub fn trajectory_write( path: &str, times: &[f64], positions: &[Vec<[f64; 3]>], ) -> Result<()>

Write a simplified MD trajectory in NetCDF format (text CDL) to path.

times is a slice of time values; positions is a slice of frames where each frame is a Vec<[f64;3]> of atom positions.

Trait Implementations

impl Clone for NetcdfFile

fn clone(&self) -> NetcdfFile

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for NetcdfFile

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

Formats the value using the given formatter.

impl Default for NetcdfFile

fn default() -> Self

Returns the “default value” for a type.