chemaxon.struc.graphics
Class MChemicalStruct

java.lang.Object
  chemaxon.struc.MObject
      chemaxon.struc.graphics.MChemicalStruct

All Implemented Interfaces:

java.lang.Cloneable, java.io.Serializable

public class MChemicalStruct

extends MObject

Molecule graph object.

Since:

Marvin 3.3

Version:

3.5, 11/04/2004

Author:

Peter Csizmadia

See Also:

Serialized Form

Field Summary

Fields inherited from class chemaxon.struc.MObject

PAINT_ANTIALIAS, PAINT_FOCUSED, TRANSFORM_DISTORT

Constructor Summary

protected	MChemicalStruct(MChemicalStruct mcs) Copy constructor.
	MChemicalStruct(MoleculeGraph m) Contructs a molecule graph object.

Method Summary

void	calcCenter(DPoint3 p) Calculates the geometrical center.
java.lang.Object	clone() Creates a clone.
boolean	containsAtom(MolAtom a) Checks if the atom set contains the specified atom object.
double	distanceFrom(double x, double y, CTransform3D t) Gets the 2D distance from the specified point.
MoleculeGraph	getMoleculeGraph() Gets the stored molecule graph.
MPoint	getPoint(int i) Gets a point of the object.
int	getPointCount() Gets the number of points (atoms).
boolean	hasSelection() Checks the existence of the selection.
boolean	isEmpty() A chemical structure object is empty if the molecule graph is empty.
void	setSelected(boolean s) Selects or unselects the object.
void	transform(CTransform3D t, int opts) Transforms all points.
void	unselectContents() Unselects atoms.

Methods inherited from class chemaxon.struc.MObject

addAttributeKeys, addCdataAttributeKeys, addNotify, checkValidity, distanceFrom, finishCloning, getAttribute, getBackground, getColor, getLineColor, getPointRef, getPointRefCount, hasBackground, hasColor, hasLineColor, isChildOf, isInternalSelectable, isSelectableNow, isSelected, isTransformable, makeColor, makeColorString, paint, removeChild, removeNotify, replaceAtom, setAttribute, setBackground, setColor, setLineColor

Methods inherited from class java.lang.Object

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

Constructor Detail

MChemicalStruct

public MChemicalStruct(MoleculeGraph m)

Contructs a molecule graph object.

Parameters:

m - the molecule graph

MChemicalStruct

protected MChemicalStruct(MChemicalStruct mcs)

Copy constructor.

Parameters:

mcs - the original object

Method Detail

getMoleculeGraph

public MoleculeGraph getMoleculeGraph()

Gets the stored molecule graph.

Returns:

the molecule graph

clone

public java.lang.Object clone()

Creates a clone.

Specified by:

clone in class MObject

Returns:

the clone

isEmpty

public boolean isEmpty()

A chemical structure object is empty if the molecule graph is empty.

Overrides:

isEmpty in class MObject

Returns:

true if empty, false otherwise

getPointCount

public int getPointCount()

Gets the number of points (atoms).

Specified by:

getPointCount in class MObject

Returns:

the number of points

getPoint

public MPoint getPoint(int i)

Gets a point of the object.

Specified by:

getPoint in class MObject

Parameters:

i - the point index

Returns:

the point's clone

containsAtom

public boolean containsAtom(MolAtom a)

Checks if the atom set contains the specified atom object.

Overrides:

containsAtom in class MObject

Returns:

true if the atom set contains the specified object, false otherwise

Since:

Marvin 3.5, 07/04/2004

transform

public void transform(CTransform3D t,
                      int opts)

Transforms all points.

Specified by:

transform in class MObject

Parameters:

t - the transformation matrix

opts - transform options or 0

See Also:

MObject.TRANSFORM_DISTORT

calcCenter

public void calcCenter(DPoint3 p)

Calculates the geometrical center.

Specified by:

calcCenter in class MObject

Parameters:

p - store the coordinates here

distanceFrom

public double distanceFrom(double x,
                           double y,
                           CTransform3D t)

Gets the 2D distance from the specified point.

Specified by:

distanceFrom in class MObject

Parameters:

x - the x coordinate

y - the y coordinate

t - transformation or null

Since:

3.5, 11/04/2004

setSelected

public void setSelected(boolean s)

Selects or unselects the object.

Overrides:

setSelected in class MObject

Parameters:

s - use true to select, false to unselect

hasSelection

public boolean hasSelection()

Checks the existence of the selection.

Returns:

true if selection exists, false otherwise

unselectContents

public void unselectContents()

Unselects atoms.

Overrides:

unselectContents in class MObject