chemaxon.struc.prop
Class MMoleculeProp

java.lang.Object
  chemaxon.struc.MProp
      chemaxon.struc.prop.MMoleculeProp

All Implemented Interfaces:

java.io.Serializable, java.lang.Cloneable

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

CONV_SELFREF, COORDDEP

Constructor Summary

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

MMoleculeProp(java.lang.String sval)
Deprecated. Use MPropHandler.createMMoleculeProp(String)

Method Summary

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) Instead MProp.CONV_SELFREF flag use fmt + ":-selfrefprops" string in fmt.
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.
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, hashCode, notify, notifyAll, wait, wait, wait

Constructor Detail

MMoleculeProp

public MMoleculeProp(Molecule m)

Constructs a property object from a molecule.

Parameters:

m - the molecule

MMoleculeProp

public MMoleculeProp(java.lang.String sval)
              throws java.io.IOException

Deprecated. Use MPropHandler.createMMoleculeProp(String)

Constructs a property object from a string value.

Parameters:

sval - the string value

Throws:

java.io.IOException

Method Detail

convertToString

public java.lang.String convertToString(java.lang.String fmt,
                                        int flags)
                                 throws MolExportException

Deprecated. As of Marvin 5.7, replaced by MPropHandler.convertToString(MProp, String) Instead MProp.CONV_SELFREF flag use fmt + ":-selfrefprops" string in fmt.

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

Throws:

MolExportException

Since:

Marvin 5.0, 11/05/2007

See Also:

MProp.CONV_SELFREF

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

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