Package chemaxon.jep.context

Class MolContext

java.lang.Object

chemaxon.jep.context.MolContext

All Implemented Interfaces:

ChemContext, chemaxon.marvin.util.CallbackIface, Serializable

Direct Known Subclasses:

AtomContext

@PublicAPI
public class MolContext
extends Object
implements ChemContext

Expression evaluation context containing a single molecule. Provides function names for accessing context elements through the CallbackIface.

Since:

JChem 2.2, Marvin 5.1

See Also:

• Serialized Form

Constructor Summary

Constructors

Constructor	Description
MolContext()	Constructor.
MolContext(Molecule m)	Creates a MolContext with the given input molecule.

Method Summary

Modifier and Type	Method	Description
Object	callback(String method, Object arg)	Implements CallbackIface.
void	clear()	Clears the context.
String[]	getContextFunctionNames()	Returns {"mol", "fingerprint"}.
int[]	getFingerprint()	Returns the input molecule fingerprint.
protected int[]	getFingerprint(Object arg)	Returns the input molecule fingerprint if argument is the input molecule, null otherwise.
Molecule	getMolecule()	Returns the input molecule.
void	setFingerprint(int[] fingerprint)	Sets the fingerprint of the input molecule.
void	setMolecule(Molecule mol)	Sets the input molecule.
void	setSupplier(com.google.common.base.Supplier<Molecule> supplier)

Methods inherited from class java.lang.Object

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

Constructor Details

MolContext

public MolContext()

Constructor.

MolContext

public MolContext(Molecule m)

Creates a MolContext with the given input molecule.

Since:

Marvin 5.2

Method Details

getContextFunctionNames

public String[] getContextFunctionNames()

Returns {"mol", "fingerprint"}. This is the accessor function name for getting the molecule.

Specified by:

getContextFunctionNames in interface ChemContext

Returns:

{"mol", "fingerprint"}

callback

public Object callback(String method,
 Object arg)

Implements CallbackIface. Returns null for unimplemented callbacks. Implemented callbacks:

method	arg	return value
"mol"	null	the input molecule
"fingerprint"	null	the input molecule fingerprint

Specified by:

callback in interface chemaxon.marvin.util.CallbackIface

Specified by:

callback in interface ChemContext

Parameters:

method - is the accessor method name

arg - is the accessor method argument (the JEP parameter stack as null, a single parameter object or a parameter object array depending on the number of parameters on the stack)

Returns:

the context element

setMolecule

public void setMolecule(Molecule mol)

Sets the input molecule.

Parameters:

mol - is the input molecule

setSupplier

public void setSupplier(com.google.common.base.Supplier<Molecule> supplier)

getMolecule

public Molecule getMolecule()

Returns the input molecule.

Returns:

the input molecule

setFingerprint

public void setFingerprint(int[] fingerprint)

Sets the fingerprint of the input molecule.

Parameters:

fingerprint - is the fingerprint

getFingerprint

public int[] getFingerprint()

Returns the input molecule fingerprint.

Returns:

the input molecule fingerprint

getFingerprint

protected int[] getFingerprint(Object arg)

Returns the input molecule fingerprint if argument is the input molecule, null otherwise.

Parameters:

arg - is the argument to be checked against the input molecule

Returns:

the input molecule fingerprint or null

clear

public void clear()

Clears the context.

Specified by:

clear in interface ChemContext