chemaxon.struc.prop

Class MHCoords3DProp

java.lang.Object

chemaxon.struc.MProp

chemaxon.struc.prop.MHCoords3DProp

All Implemented Interfaces:

MTransformable, java.io.Serializable, java.lang.Cloneable

@PublicAPI
public class MHCoords3DProp
extends MProp
implements MTransformable

3D coordinates array property. These properties are "coordinate dependent" by default thus they become invalid when molecule coordinates are changed.

Since:

Marvin 4.1.3, 11/09/2006

Version:

5.0, 11/05/2007

Author:

Peter Csizmadia

See Also:

Serialized Form

Field Summary

Fields inherited from class chemaxon.struc.MProp

COORDDEP, TYPE_3D_COORDS, TYPE_ARRAY_BYTE, TYPE_ARRAY_DOUBLE, TYPE_ARRAY_INTEGER, TYPE_BOOLEAN, TYPE_COLLECTION_HASH, TYPE_COLLECTION_LIST, TYPE_CONFORMER_DESCRIPTOR, TYPE_DOUBLE, TYPE_FONT, TYPE_INTEGER, TYPE_MDOCUMENT_PROP, TYPE_MOLECULE, TYPE_OBJECT, TYPE_STRING, TYPE_VOLUMETRIC_DATA

Constructor Summary

Constructors

Constructor and Description
MHCoords3DProp(java.util.Map<java.lang.Integer,DPoint3[]> map, long grinvCC) Constructs a property object from a map.
MHCoords3DProp(java.util.Map<MolAtom,DPoint3[]> map, MoleculeGraph m) Constructs a property object from a map.
MHCoords3DProp(java.lang.String sval) Constructs a point array property from a string value.

Method Summary

Modifier and Type	Method and Description
java.lang.Object	clone() Clones the object.
MProp	cloneProp() Clones the object.
java.lang.String	convertToString(java.lang.String fmt, int flags) Deprecated. As of Marvin 5.7, replaced by MPropHandler.convertToString(MProp, String)
boolean	equals(java.lang.Object o)
java.util.Map<MolAtom,DPoint3[]>	getMap(MoleculeGraph m) Gets a map containing MolAtom objects as keys and DPoint3 arrays as values.
DPoint3[]	getPoints(int k) Gets the Hydrogen locations for an atom.
java.lang.String	getPropType() Gets the type name of the property.
java.lang.Object	getPropValue() Gets the property value as an object.
java.lang.String	getPropXSDType() Gets the XSD type name of the property.
int	hashCode()
java.lang.String	toString() Overrides Object.toString() to ease debugging.
void	transform(CTransform3D t) Transforms the coordinates.

Methods inherited from class chemaxon.struc.MProp

convertToString, getGrinvCC, getPropArraySize, isCoordDependent, setCoordDependent

Methods inherited from class java.lang.Object

finalize, getClass, notify, notifyAll, wait, wait, wait

Constructor Detail

MHCoords3DProp

public MHCoords3DProp(java.util.Map<MolAtom,DPoint3[]> map,
                      MoleculeGraph m)

Constructs a property object from a map.

Parameters:

map - map containing atoms as keys and DPoint3 arrays as values

m - the molecule graph

MHCoords3DProp

public MHCoords3DProp(java.util.Map<java.lang.Integer,DPoint3[]> map,
                      long grinvCC)

Constructs a property object from a map.

Parameters:

map - map containing atom indices as keys and DPoint3 arrays as values

MHCoords3DProp

public MHCoords3DProp(java.lang.String sval)
               throws java.lang.IllegalArgumentException

Constructs a point array property from a string value.

Parameters:

sval - the string value

Throws:

java.lang.IllegalArgumentException

Method Detail

convertToString

@Deprecated
public java.lang.String convertToString(java.lang.String fmt,
                                                    int flags)

Deprecated. As of Marvin 5.7, replaced by MPropHandler.convertToString(MProp, String)

Converts the property to text format.

Specified by:

convertToString in class MProp

Parameters:

fmt - the molecule file format or null

flags - optional conversion flags

Returns:

the string

Since:

Marvin 4.1.7, 04/10/2007

getPropValue

public java.lang.Object getPropValue()

Gets the property value as an object.

Specified by:

getPropValue in class MProp

Returns:

the Integer

getMap

public final java.util.Map<MolAtom,DPoint3[]> getMap(MoleculeGraph m)

Gets a map containing MolAtom objects as keys and DPoint3 arrays as values.

Parameters:

m - molecule containing the atoms

Returns:

the map

getPoints

public final DPoint3[] getPoints(int k)

Gets the Hydrogen locations for an atom.

Parameters:

k - atom index

Returns:

the locations

getPropType

public java.lang.String getPropType()

Gets the type name of the property.

Specified by:

getPropType in class MProp

Returns:

"double"

getPropXSDType

public java.lang.String getPropXSDType()

Gets the XSD type name of the property.

Specified by:

getPropXSDType in class MProp

Returns:

"ENTITY"

cloneProp

public MProp cloneProp()

Clones the object.

Specified by:

cloneProp in class MProp

Returns:

the clone

clone

public java.lang.Object clone()

Clones the object.

Overrides:

clone in class java.lang.Object

Returns:

the clone

transform

public void transform(CTransform3D t)

Transforms the coordinates.

Specified by:

transform in interface MTransformable

Parameters:

t - the transformation matrix

equals

public boolean equals(java.lang.Object o)

Overrides:

equals in class java.lang.Object

hashCode

public int hashCode()

Overrides:

hashCode in class java.lang.Object

toString

public java.lang.String toString()

Description copied from class: MProp

Overrides Object.toString() to ease debugging. Returns a string consisting of the classname (without the package name!), the at-sign character `@', and the unsigned hexadecimal representation of the hash code of the object.

Overrides:

toString in class MProp

Returns:

a string representation of this object

Since:

Marvin 5.7, 07/25/2011