geom

Documentation

Index

• Constants
• func XyzAngle(a, b, c cmmn.Xyz) (float32, error)
• func XyzDhdrl(ii, jj, kk, ll cmmn.Xyz) float32
• func XyzDist(x1, x2 cmmn.Xyz) (float32, error)
• type Error
  • func (e Error) Error() string

Constants

const (
	Brokendist = -99
)

Functions

func XyzAngle

func XyzAngle(a, b, c cmmn.Xyz) (float32, error)

Xyzangle takes three points and returns the angle between them

func XyzDhdrl

func XyzDhdrl(ii, jj, kk, ll cmmn.Xyz) float32

XyzDhdrl takes four points and returns the dihedral angle

func XyzDist

func XyzDist(x1, x2 cmmn.Xyz) (float32, error)

xyzdist gets the distance between two points, but if it is bigger than Brokendist or smaller than mindist, it returns an error.

Types

type Error

type Error string

func (Error) Error

func (e Error) Error() string