@PublicAPI public class MMoleculeProp extends 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 and Description |
---|
MMoleculeProp(Molecule m)
Constructs a property object from a molecule.
|
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.
|
convertToString, getGrinvCC, getPropArraySize, isCoordDependent, setCoordDependent
public MMoleculeProp(Molecule m)
m
- the molecule@Deprecated public java.lang.String convertToString(java.lang.String fmt, int flags)
MPropHandler.convertToString(MProp, String)
. convertToString
in class MProp
fmt
- the molecule file format or null
flags
- optional conversion flagspublic java.lang.Object getPropValue()
getPropValue
in class MProp
public Molecule getMolecule()
public java.lang.String getPropType()
getPropType
in class MProp
public java.lang.String getPropXSDType()
getPropXSDType
in class MProp
public MProp cloneProp()
public java.lang.Object clone()
clone
in class java.lang.Object
public boolean equals(java.lang.Object o)
equals
in class java.lang.Object
public int hashCode()
hashCode
in class java.lang.Object