astex
Class Angle

java.lang.Object
  astex.Angle

public class Angle
extends java.lang.Object

A class for storing information about a bond angle.

Method Summary

static Angle	create() A method that will create a new Bond.
Atom	getAtom(int index) Get the specified atom.
Atom	getFirstAtom() Return the first atom in a angle.
double	getIdealBondAngle() Get the ideal angle angle.
Atom	getSecondAtom() Return the second atom in a angle.
Atom	getThirdAtom() Return the third atom in a angle.
void	setFirstAtom(Atom newFirstAtom) Set the first atom in the angle.
void	setIdealBondAngle(double d) Set the ideal angle angle.
void	setSecondAtom(Atom newSecondAtom) Set the second atom in the angle.
void	setThirdAtom(Atom newThirdAtom) Set the second atom in the angle.

Methods inherited from class java.lang.Object

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

Method Detail

create

public static Angle create()

A method that will create a new Bond. This may in the future reuse angles from a list of those that are no longer in use.

setFirstAtom

public void setFirstAtom(Atom newFirstAtom)

Set the first atom in the angle.

setSecondAtom

public void setSecondAtom(Atom newSecondAtom)

Set the second atom in the angle.

setThirdAtom

public void setThirdAtom(Atom newThirdAtom)

Set the second atom in the angle.

getFirstAtom

public Atom getFirstAtom()

Return the first atom in a angle.

getSecondAtom

public Atom getSecondAtom()

Return the second atom in a angle.

getThirdAtom

public Atom getThirdAtom()

Return the third atom in a angle.

getAtom

public Atom getAtom(int index)

Get the specified atom.

setIdealBondAngle

public void setIdealBondAngle(double d)

Set the ideal angle angle.

getIdealBondAngle

public double getIdealBondAngle()

Get the ideal angle angle.