com.chemaxon.calculations.util

Class V3D

java.lang.Object

com.chemaxon.calculations.util.V3D

public final class V3D
extends Object

3D vector algebra.

Field Summary

Fields

Modifier and Type	Field and Description
static Function<Double,Double>	DEG_TO_RAD
static Function<double[],double[]>	DEGS_TO_RADS
static double	EPS
static Function<Double,Double>	RAD_TO_DEG
static Function<double[],double[]>	RADS_TO_DEGS

Method Summary

Modifier and Type	Method and Description
double	angleDeg(V3D other) Calculates the angle closed by two vectors in degrees.
double	angleRad(V3D other) Calculates the angle closed by two vectors in radians.
static double	dihedralDeg(double[] p1, double[] p2, double[] p3, double[] p4) Calculate dihedral angle in degrees.
static double	dihedralRad(double[] p1, double[] p2, double[] p3, double[] p4) Calculate dihedral angle in radians.
double	dot()
double	dot(V3D other)
double	length()
V3D	minus(V3D other)
V3D	negate()
V3D	norm()
V3D	plus(V3D other)
V3D	scale(double a)
String	toString()
static V3D	v(double[] coords)
static V3D	v(double x, double y, double z)
V3D	vectProd(V3D other)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Field Detail

EPS

public static double EPS

DEG_TO_RAD

public static Function<Double,Double> DEG_TO_RAD

RAD_TO_DEG

public static Function<Double,Double> RAD_TO_DEG

DEGS_TO_RADS

public static Function<double[],double[]> DEGS_TO_RADS

RADS_TO_DEGS

public static Function<double[],double[]> RADS_TO_DEGS

Method Detail

v

public static V3D v(double x,
                    double y,
                    double z)

v

public static V3D v(double[] coords)

plus

public V3D plus(V3D other)

dot

public double dot(V3D other)

minus

public V3D minus(V3D other)

negate

public V3D negate()

vectProd

public V3D vectProd(V3D other)

dot

public double dot()

scale

public V3D scale(double a)

length

public double length()

norm

public V3D norm()

angleRad

public double angleRad(V3D other)

Calculates the angle closed by two vectors in radians.

Parameters:

other - The other vector

Returns:

angle in radians between 0 and PI

angleDeg

public double angleDeg(V3D other)

Calculates the angle closed by two vectors in degrees.

Parameters:

other - The other vector

Returns:

angle in radians between 0 and 180

toString

public String toString()

Overrides:

toString in class Object

dihedralDeg

public static double dihedralDeg(double[] p1,
                                 double[] p2,
                                 double[] p3,
                                 double[] p4)

Calculate dihedral angle in degrees.

Parameters:

p1 - Point 1

p2 - Point 2

p3 - Point 3

p4 - Point 4

Returns:

Dihedral angle of 1-2-3-4 in degrees

dihedralRad

public static double dihedralRad(double[] p1,
                                 double[] p2,
                                 double[] p3,
                                 double[] p4)

Calculate dihedral angle in radians.

Parameters:

p1 - Point 1

p2 - Point 2

p3 - Point 3

p4 - Point 4

Returns:

Dihedral angle of 1-2-3-4 in radians