Package chemaxon.jep.context

Class AtomContext

java.lang.Object

chemaxon.jep.context.MolContext

chemaxon.jep.context.AtomContext

All Implemented Interfaces:

ChemContext, chemaxon.marvin.util.CallbackIface, Serializable

@PublicApi
@ProvidesFunction(minParameterCount=0,maxParameterCount=0,names={"atom","mol"}) @ProvidesFunction(minParameterCount=1,maxParameterCount=1,names="fingerprint")
public class AtomContext
extends MolContext

Expression evaluation context containing an input molecule and an input atom.

Since:

JChem 2.2, Marvin 5.1

See Also:

• Serialized Form

Nested Class Summary

Nested classes/interfaces inherited from interface chemaxon.jep.ChemContext

ChemContext.ProvidesFunction, ChemContext.ProvidesFunctionContainer

Field Summary

Fields

Modifier and Type	Field	Description
static final String	ATOM
static final String[]	CFNS	The context function names.

Fields inherited from class chemaxon.jep.context.MolContext

FINGERPRINT, MOL

Fields inherited from interface chemaxon.jep.ChemContext

VARARG

Constructor Summary

Constructors

Constructor	Description
AtomContext()	Constructor.

Method Summary

Modifier and Type	Method	Description
Object	callContextFunction(String name, List<Object> params)	Executes the specified context function with the given parameters.
void	clear()	Clears the context.
int	getAtom()	Returns the input atom index.
String[]	getContextFunctionNames()	Deprecated, for removal: This API element is subject to removal in a future version. Use the ChemContext.ProvidesFunction annotation instead.
void	setAtom(int atom)	Sets the input atom.

Methods inherited from class chemaxon.jep.context.MolContext

getFingerprint, getFingerprint, getMolecule, setFingerprint, setMolecule, setSupplier

Methods inherited from class java.lang.Object

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

Methods inherited from interface chemaxon.jep.ChemContext

callback, getVariable

Field Details

ATOM

public static final String ATOM

See Also:

• Constant Field Values

CFNS

public static final String[] CFNS

The context function names.

Constructor Details

AtomContext

public AtomContext()

Constructor.

Method Details

getContextFunctionNames

@Deprecated(forRemoval=true)
@SubjectToRemoval(date=JUL_01_2025)
public String[] getContextFunctionNames()

Deprecated, for removal: This API element is subject to removal in a future version.

Use the ChemContext.ProvidesFunction annotation instead.

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

Specified by:

getContextFunctionNames in interface ChemContext

Overrides:

getContextFunctionNames in class MolContext

Returns:

{"mol", "fingerprint", "atom"}

callContextFunction

public Object callContextFunction(String name,
 List<Object> params)
                           throws JepException

Executes the specified context function with the given parameters.

Implemented functions:

name	parameter	return value
"mol"		the input molecule
"fingerprint"		the input molecule fingerprint
"atom"		the input atom

Specified by:

callContextFunction in interface ChemContext

Overrides:

callContextFunction in class MolContext

Parameters:

name - the context function name (as specified by ChemContext.ProvidesFunction.names())

params - the context function parameters. The size of this list must be between the minimum and maximum allowed.

Returns:

the context element, or null if the given function is not supported

Throws:

JepException - on error

setAtom

public void setAtom(int atom)

Sets the input atom.

Parameters:

atom - is the input atom index

getAtom

public int getAtom()

Returns the input atom index.

Returns:

the input atom index

clear

public void clear()

Clears the context.

Specified by:

clear in interface ChemContext

Overrides:

clear in class MolContext