Struct AlignResult 

pub struct AlignResult {
    pub rmsd: f64,
    pub rotation: [[f64; 3]; 3],
    pub translation: [f64; 3],
}

Result of a Kabsch alignment.

Fields

rmsd: f64

RMSD after optimal superposition (Å or whatever unit reference uses).

rotation: [[f64; 3]; 3]

3×3 rotation matrix R such that mobile_centred @ R ≈ reference_centred.

translation: [f64; 3]

Translation to apply to mobile after rotation to match reference centroid.

Trait Implementations

impl Clone for AlignResult

fn clone(&self) -> AlignResult

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for AlignResult

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

Formats the value using the given formatter.