Bio.PDB.Structure.Vector

This module wraps 3D vector operations, and adds missing ones.

Documentation

data Vector3 :: *

Constructors

Vector3

Fields

• v3x :: ~Scalar
• v3y :: ~Scalar
• v3z :: ~Scalar

Instances

Eq Vector3

Methods

(==) :: Vector3 -> Vector3 -> Bool

(/=) :: Vector3 -> Vector3 -> Bool

Fractional Vector3

Methods

(/) :: Vector3 -> Vector3 -> Vector3

recip :: Vector3 -> Vector3

fromRational :: Rational -> Vector3

Num Vector3

Methods

(+) :: Vector3 -> Vector3 -> Vector3

(-) :: Vector3 -> Vector3 -> Vector3

(*) :: Vector3 -> Vector3 -> Vector3

negate :: Vector3 -> Vector3

abs :: Vector3 -> Vector3

signum :: Vector3 -> Vector3

fromInteger :: Integer -> Vector3

Show Vector3

Methods

showsPrec :: Int -> Vector3 -> ShowS

show :: Vector3 -> String

showList :: [Vector3] -> ShowS

Vector Vector3

BasicVector Vector3

Methods

vmap :: (Scalar -> Scalar) -> Vector3 -> Vector3

vzip :: (Scalar -> Scalar -> Scalar) -> Vector3 -> Vector3 -> Vector3

vfold :: (Scalar -> Scalar -> Scalar) -> Vector3 -> Scalar

vpack :: [Scalar] -> Maybe Vector3

vunpack :: Vector3 -> [Scalar]

vpromote :: Scalar -> Vector3

unpackVector3 :: Vector3 -> (Double, Double, Double)

Unpacks an abstract 3D vector into a triple of Doubles.

vnormalise :: Vector3 -> Vector3

Normalises to a unit vector in the same direction as input.

vdot :: Vector3 -> Vector3 -> Double

Computes a dot product of two 3D vectors.

(*|) :: Double -> Vector3 -> Vector3

Scalar product. (asterisk - "*" - indicates side on which one can put a scalar.)

(|*) :: Vector3 -> Double -> Vector3

Scalar product. (asterisk - "*" - indicates side on which one can put a scalar.)

vzip :: (Double -> Double -> Double) -> Vector3 -> Vector3 -> Vector3

Maps an operation on a pair of Doubles onto a pair of 3D vectors coordinatewise.

vmap :: (Double -> Double) -> Vector3 -> Vector3

Maps an operation that modifies a Double onto a 3D vector.

vnorm :: Vector3 -> Double

2-norm of a vector (also called a magnitude or length.)

vproj :: Vector3 -> Vector3 -> Vector3

Finds a vector component of the first vector that is a projection onto direction of second vector.

vperpend :: Vector3 -> Vector3 -> Vector3

Returns a component of the vector v that is perpendicular to w.

vperpends :: Foldable t => Vector3 -> t Vector3 -> Vector3

Finds a component of the vector v that is perpendicular to all vectors in a list.

vdihedral :: Vector3 -> Vector3 -> Vector3 -> Double

Compute dihedral between three bond vectors using spherical angle formula.

Orphan instances

Arbitrary Vector3

Methods

arbitrary :: Gen Vector3

shrink :: Vector3 -> [Vector3]