org.jmol.minimize

Class Util

public class Util extends Object

Field Summary
static doubleDEG_TO_RAD
static doublemax_squarable_double
static doublemin_squarable_double
static doubleRAD_TO_DEG
Method Summary
static booleancanBeNormalized(Vector3d a)
static booleancanBeSquared(double x)
static doubledistance2(double[] a, double[] b)
static doubledistance2(Vector3d a, Vector3d b)
static doublegetAngleRadiansABC(double[] a, double[] b, double[] c)
static doublegetTorsionAngleRadians(double[] a, double[] b, double[] c, double[] d, Vector3d r1, Vector3d r2, Vector3d r3)
static booleanisApprox(Vector3d a, Vector3d b, double precision)
static booleanisFinite(double a)
static booleanisNear(double a, double b)
static booleanisNear(double a, double b, double epsilon)
static booleanisNearZero(double a)
static booleanisNearZero(double a, double epsilon)
static booleanisNegligible(double a, double b)
static booleanisNegligible(double a, double b, double precision)
static doublepointPlaneAngleRadians(Vector3d a, Vector3d b, Vector3d c, Vector3d d, Vector3d v1, Vector3d v2, Vector3d norm)
static voidputCoord(Vector3d v, double[] c)
static voidrandomizeUnitVector(Vector3d v)
static doublerestorativeForceAndAngleRadians(Vector3d i, Vector3d j, Vector3d k)
static doublerestorativeForceAndDistance(Vector3d a, Vector3d b, Vector3d vab)
static doublerestorativeForceAndOutOfPlaneAngleRadians(Vector3d i, Vector3d j, Vector3d k, Vector3d l, Vector3d an, Vector3d bn, Vector3d cn)
static doublerestorativeForceAndTorsionAngleRadians(Vector3d i, Vector3d j, Vector3d k, Vector3d l)
static voidsub(double[] a, double[] b, Vector3d result)
static doublevectorAngleRadians(Vector3d v1, Vector3d v2)

Field Detail

DEG_TO_RAD

public static final double DEG_TO_RAD

max_squarable_double

static final double max_squarable_double

min_squarable_double

static final double min_squarable_double

RAD_TO_DEG

public static final double RAD_TO_DEG

Method Detail

canBeNormalized

public static boolean canBeNormalized(Vector3d a)

canBeSquared

public static boolean canBeSquared(double x)

distance2

public static double distance2(double[] a, double[] b)

distance2

public static double distance2(Vector3d a, Vector3d b)

getAngleRadiansABC

public static double getAngleRadiansABC(double[] a, double[] b, double[] c)

getTorsionAngleRadians

public static double getTorsionAngleRadians(double[] a, double[] b, double[] c, double[] d, Vector3d r1, Vector3d r2, Vector3d r3)

isApprox

public static boolean isApprox(Vector3d a, Vector3d b, double precision)

isFinite

public static boolean isFinite(double a)

isNear

public static boolean isNear(double a, double b)

isNear

public static boolean isNear(double a, double b, double epsilon)

isNearZero

public static boolean isNearZero(double a)

isNearZero

public static boolean isNearZero(double a, double epsilon)

isNegligible

public static boolean isNegligible(double a, double b)

isNegligible

public static boolean isNegligible(double a, double b, double precision)

pointPlaneAngleRadians

public static double pointPlaneAngleRadians(Vector3d a, Vector3d b, Vector3d c, Vector3d d, Vector3d v1, Vector3d v2, Vector3d norm)

putCoord

public static void putCoord(Vector3d v, double[] c)

randomizeUnitVector

private static void randomizeUnitVector(Vector3d v)

restorativeForceAndAngleRadians

public static double restorativeForceAndAngleRadians(Vector3d i, Vector3d j, Vector3d k)

restorativeForceAndDistance

public static double restorativeForceAndDistance(Vector3d a, Vector3d b, Vector3d vab)

restorativeForceAndOutOfPlaneAngleRadians

public static double restorativeForceAndOutOfPlaneAngleRadians(Vector3d i, Vector3d j, Vector3d k, Vector3d l, Vector3d an, Vector3d bn, Vector3d cn)

restorativeForceAndTorsionAngleRadians

public static double restorativeForceAndTorsionAngleRadians(Vector3d i, Vector3d j, Vector3d k, Vector3d l)

sub

public static void sub(double[] a, double[] b, Vector3d result)

vectorAngleRadians

private static double vectorAngleRadians(Vector3d v1, Vector3d v2)