chemaxon.struc.prop

Class MMoleculeProp

java.lang.Object

chemaxon.struc.MProp

chemaxon.struc.prop.MMoleculeProp

All Implemented Interfaces:

java.io.Serializable, java.lang.Cloneable

@PublicAPI
public class MMoleculeProp
extends MProp

Molecule property.

Since:

Marvin 4.1, 11/20/2005

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
MMoleculeProp(Molecule m) Constructs a property object from a molecule.

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)
Molecule	getMolecule() Gets the molecule.
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() String representation of this object: number of atoms, number of bonds.

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

MMoleculeProp

public MMoleculeProp(Molecule m)

Constructs a property object from a molecule.

Parameters:

m - the molecule

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 molecule 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 5.0, 11/05/2007

getPropValue

public java.lang.Object getPropValue()

Gets the property value as an object.

Specified by:

getPropValue in class MProp

Returns:

the Molecule

getMolecule

public Molecule getMolecule()

Gets the molecule.

Returns:

the molecule or null

getPropType

public java.lang.String getPropType()

Gets the type name of the property.

Specified by:

getPropType in class MProp

Returns:

"Molecule"

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

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()

String representation of this object: number of atoms, number of bonds.

Overrides:

toString in class MProp

Returns:

a string representation of this object

Since:

Marvin 5.7, 07/25/2011