chemaxon.marvin.space.monitor

Class DihedralControl

java.lang.Object

chemaxon.marvin.space.monitor.Control

chemaxon.marvin.space.monitor.DihedralControl

public class DihedralControl
extends Control

This control is to change a dihedral angle that is torsion a GraphicComponent. Dihedral of 4 components is the angle between the 2 planes determinde by the first 3 and the second 3 components. Measuring dihedral has only sense if the 4 elements are 4 atoms of a molecule. In this sense DihedralControl is rotation of a part of a molecule around a bond.

Since:

Marvin 4.0.2

Version:

MarvinSpace 1.0

Author:

Judit Papp

Field Summary

Fields

Modifier and Type	Field and Description
protected int	atomA
protected int	atomB
protected int	bond
protected int	center

Fields inherited from class chemaxon.marvin.space.monitor.Control

ambient, component, DEFAULT_SIZE, diffuse, monitor, shininess, size, specular, x, y

Constructor Summary

Constructors

Constructor and Description
DihedralControl(DihedralMonitor monitor) Creates a new instance of DihedralControl

Method Summary

Methods

Modifier and Type	Method and Description
void	control(int v) One part of the molecule being in one of the end of the torsion bond will be rotated around the bond.
void	control(int x, int y) Does nothing.
void	finalize()
void	flip() Torsion will affect the other part of the component.
byte[]	getColor() Returns the color of the control.
void	setAtoms(int atomA, int atomB) Sets 2 atoms as the 2 end of the torsion bond.
void	setComponent(GraphicComponent gc) Sets the affecting component of the DihedralControl which has to be a MoleculeComponent.

Methods inherited from class chemaxon.marvin.space.monitor.Control

getCenter, projectVector, setCenter

Methods inherited from class java.lang.Object

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

Field Detail

atomA

protected int atomA

atomB

protected int atomB

center

protected int center

bond

protected int bond

Constructor Detail

DihedralControl

public DihedralControl(DihedralMonitor monitor)

Creates a new instance of DihedralControl

Method Detail

finalize

public void finalize()

Overrides:

finalize in class Object

setAtoms

public void setAtoms(int atomA,
            int atomB)

Sets 2 atoms as the 2 end of the torsion bond.

Parameters:

atomA - index of one of the atoms in the molecule

atomB - index of the other atom in the molecule

flip

public void flip()

Torsion will affect the other part of the component.

setComponent

public void setComponent(GraphicComponent gc)

Sets the affecting component of the DihedralControl which has to be a MoleculeComponent.

Overrides:

setComponent in class Control

control

public void control(int v)

One part of the molecule being in one of the end of the torsion bond will be rotated around the bond.

Specified by:

control in class Control

control

public void control(int x,
           int y)

Does nothing.

Specified by:

control in class Control

getColor

public byte[] getColor()

Returns the color of the control. It is yellow by default.

Specified by:

getColor in class Control