Struct VolumetricGrid 

pub struct VolumetricGrid {
    pub origin: [f64; 3],
    pub spacing: f64,
    pub dims: [usize; 3],
    pub values: Vec<f32>,
}

A 3D regular grid holding scalar field values.

Fields

origin: [f64; 3]

Origin corner (x_min, y_min, z_min) in Ångström.

spacing: f64

Grid spacing in Ångström.

dims: [usize; 3]

Number of grid points in each dimension [nx, ny, nz].

values: Vec<f32>

Flat array of values in row-major order: z varies fastest.

Implementations

impl VolumetricGrid

pub fn num_points(&self) -> usize

Total number of grid points.

pub fn index(&self, ix: usize, iy: usize, iz: usize) -> usize

Index for grid point (ix, iy, iz).

pub fn point_position(&self, ix: usize, iy: usize, iz: usize) -> [f64; 3]

Get the Cartesian position (in Ångström) of grid point (ix, iy, iz).

Trait Implementations

impl Clone for VolumetricGrid

fn clone(&self) -> VolumetricGrid

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for VolumetricGrid

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for VolumetricGrid

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for VolumetricGrid

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

where __S: Serializer,

Serialize this value into the given Serde serializer.