org.jmol.minimize
Class Util
java.lang.Object
org.jmol.minimize.Util
public class Util
- extends java.lang.Object
Constructor Summary |
Util()
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Method Summary |
static boolean |
canBeNormalized(javax.vecmath.Vector3d a)
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static boolean |
canBeSquared(double x)
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static double |
distance2(double[] a,
double[] b)
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static double |
distance2(javax.vecmath.Vector3d a,
javax.vecmath.Vector3d b)
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static double |
getAngleRadiansABC(double[] a,
double[] b,
double[] c)
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static double |
getTorsionAngleRadians(double[] a,
double[] b,
double[] c,
double[] d,
javax.vecmath.Vector3d r1,
javax.vecmath.Vector3d r2,
javax.vecmath.Vector3d r3)
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static boolean |
isApprox(javax.vecmath.Vector3d a,
javax.vecmath.Vector3d b,
double precision)
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static boolean |
isFinite(double a)
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static boolean |
isNear(double a,
double b)
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static boolean |
isNear(double a,
double b,
double epsilon)
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static boolean |
isNearZero(double a)
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static boolean |
isNearZero(double a,
double epsilon)
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static boolean |
isNegligible(double a,
double b)
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static boolean |
isNegligible(double a,
double b,
double precision)
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static double |
pointPlaneAngleRadians(javax.vecmath.Vector3d a,
javax.vecmath.Vector3d b,
javax.vecmath.Vector3d c,
javax.vecmath.Vector3d d,
javax.vecmath.Vector3d v1,
javax.vecmath.Vector3d v2,
javax.vecmath.Vector3d norm)
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static void |
putCoord(javax.vecmath.Vector3d v,
double[] c)
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private static void |
randomizeUnitVector(javax.vecmath.Vector3d v)
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static double |
restorativeForceAndAngleRadians(javax.vecmath.Vector3d i,
javax.vecmath.Vector3d j,
javax.vecmath.Vector3d k)
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static double |
restorativeForceAndDistance(javax.vecmath.Vector3d a,
javax.vecmath.Vector3d b,
javax.vecmath.Vector3d vab)
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static double |
restorativeForceAndOutOfPlaneAngleRadians(javax.vecmath.Vector3d i,
javax.vecmath.Vector3d j,
javax.vecmath.Vector3d k,
javax.vecmath.Vector3d l,
javax.vecmath.Vector3d an,
javax.vecmath.Vector3d bn,
javax.vecmath.Vector3d cn)
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static double |
restorativeForceAndTorsionAngleRadians(javax.vecmath.Vector3d i,
javax.vecmath.Vector3d j,
javax.vecmath.Vector3d k,
javax.vecmath.Vector3d l)
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static void |
sub(double[] a,
double[] b,
javax.vecmath.Vector3d result)
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private static double |
vectorAngleRadians(javax.vecmath.Vector3d v1,
javax.vecmath.Vector3d v2)
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Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
RAD_TO_DEG
public static final double RAD_TO_DEG
- See Also:
- Constant Field Values
DEG_TO_RAD
public static final double DEG_TO_RAD
- See Also:
- Constant Field Values
max_squarable_double
static final double max_squarable_double
- See Also:
- Constant Field Values
min_squarable_double
static final double min_squarable_double
- See Also:
- Constant Field Values
Util
public Util()
sub
public static void sub(double[] a,
double[] b,
javax.vecmath.Vector3d result)
putCoord
public static void putCoord(javax.vecmath.Vector3d v,
double[] c)
distance2
public static double distance2(double[] a,
double[] b)
distance2
public static double distance2(javax.vecmath.Vector3d a,
javax.vecmath.Vector3d b)
getAngleRadiansABC
public static double getAngleRadiansABC(double[] a,
double[] b,
double[] c)
isApprox
public static boolean isApprox(javax.vecmath.Vector3d a,
javax.vecmath.Vector3d b,
double precision)
canBeSquared
public static boolean canBeSquared(double x)
isNegligible
public static boolean isNegligible(double a,
double b)
isFinite
public static boolean isFinite(double a)
isNegligible
public static boolean isNegligible(double a,
double b,
double precision)
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)
canBeNormalized
public static boolean canBeNormalized(javax.vecmath.Vector3d a)
pointPlaneAngleRadians
public static double pointPlaneAngleRadians(javax.vecmath.Vector3d a,
javax.vecmath.Vector3d b,
javax.vecmath.Vector3d c,
javax.vecmath.Vector3d d,
javax.vecmath.Vector3d v1,
javax.vecmath.Vector3d v2,
javax.vecmath.Vector3d norm)
vectorAngleRadians
private static double vectorAngleRadians(javax.vecmath.Vector3d v1,
javax.vecmath.Vector3d v2)
getTorsionAngleRadians
public static double getTorsionAngleRadians(double[] a,
double[] b,
double[] c,
double[] d,
javax.vecmath.Vector3d r1,
javax.vecmath.Vector3d r2,
javax.vecmath.Vector3d r3)
restorativeForceAndDistance
public static double restorativeForceAndDistance(javax.vecmath.Vector3d a,
javax.vecmath.Vector3d b,
javax.vecmath.Vector3d vab)
randomizeUnitVector
private static void randomizeUnitVector(javax.vecmath.Vector3d v)
restorativeForceAndAngleRadians
public static double restorativeForceAndAngleRadians(javax.vecmath.Vector3d i,
javax.vecmath.Vector3d j,
javax.vecmath.Vector3d k)
restorativeForceAndOutOfPlaneAngleRadians
public static double restorativeForceAndOutOfPlaneAngleRadians(javax.vecmath.Vector3d i,
javax.vecmath.Vector3d j,
javax.vecmath.Vector3d k,
javax.vecmath.Vector3d l,
javax.vecmath.Vector3d an,
javax.vecmath.Vector3d bn,
javax.vecmath.Vector3d cn)
restorativeForceAndTorsionAngleRadians
public static double restorativeForceAndTorsionAngleRadians(javax.vecmath.Vector3d i,
javax.vecmath.Vector3d j,
javax.vecmath.Vector3d k,
javax.vecmath.Vector3d l)