pub fn rigid_align_coords(
template: &[(i32, f64, f64)],
other: &[(i32, f64, f64)],
mapping: &[(i32, i32)],
) -> (Vec<(i32, f64, f64)>, RigidTransform)Expand description
Align other atom coords onto a template using mapping (other→template).
template / other are (index, x, y). Returns transformed other coords
as (index, x, y) in the same order as other. Mapping pairs missing from
either set are skipped; fewer than one pair → identity.