Type Definition gchemol_geometry::Coord3

pub type Coord3 = [f64; 3];

Three-dimensional Cartesian coordinates

Trait Implementations

impl GeometryCoord3Ext for Coord3

fn distance(&self, other: Self) -> f64

return the distance to other point

fn angle(&self, p1: Self, p2: Self) -> f64

return the angle between three points: p0(self), p1, p2

fn torsion(&self, p1: Self, p2: Self, p3: Self) -> f64

return the torsion angle from four points: p0(self), p1, p2, p3

The dihedral measures the rotation around p1-p2

p0––>p1

p2––>p3

The dihedral angle is restricted to the range -π <= x <= π.

Reference

http://stackoverflow.com/a/34245697