forcefield
Class Angles

java.lang.Object
  forcefield.Angles

public class Angles

extends java.lang.Object

The Angles class contains all the Angle information from the sytem.

Since:

0.1

Version:

0.2, August 2005

Author:

Mika Kastenholz, Vincent Kraeutler

Field Summary

java.lang.String[]	at String of the AngleType.
int[]	I Atom i of bond-angle[num].
int[]	J Atom j of bond-angle[num].
int[]	K Atom k of bond-angle[num].
double[]	Kth Force constant of bond-angle[num].
int	number Number of Angles in the object.
double[]	th0 Ideal angle of bond-angle[num].

Constructor Summary

Angles()

Angles(int num)

Method Summary

void	atomsinangle(int atom, java.util.ArrayList boundto)

Methods inherited from class java.lang.Object

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

Field Detail

number

public int number

Number of Angles in the object.

I

public int[] I

Atom i of bond-angle[num].

J

public int[] J

Atom j of bond-angle[num].

K

public int[] K

Atom k of bond-angle[num].

Kth

public double[] Kth

Force constant of bond-angle[num].

th0

public double[] th0

Ideal angle of bond-angle[num].

at

public java.lang.String[] at

String of the AngleType.

Constructor Detail

Angles

public Angles(int num)

Parameters:

num - number of Bonds to be added

See Also:

Angles, BondAngleType

Angles

public Angles()

Method Detail

atomsinangle

public void atomsinangle(int atom,
                         java.util.ArrayList boundto)