chemaxon.jep.context

Class ReactionContext

java.lang.Object

chemaxon.jep.context.ReactionContext

All Implemented Interfaces:

ChemContext, chemaxon.marvin.util.CallbackIface, Serializable

public class ReactionContext
extends Object
implements ChemContext

Expression evaluation context to evaluate reaction conditions. Contains reaction context elements: reactants, products, map-to-atom correspondences for both sides. Provides function names for accessing context elements through the CallbackIface.

Since:

JChem 2.2, Marvin 5.1

Version:

6.2

Author:

Nora Mate

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
static String[]	CFNS The context function names.
static String	PATOM
static String	PRODUCT
static String	RATOM
static String	REACTANT

Constructor Summary

Constructors

Constructor and Description
ReactionContext() Constructor.
ReactionContext(boolean copy) Deprecated. Copy feature is no longer required. Constructor.
ReactionContext(RxnMolecule reaction) Constructs a reaction context with specified reaction.

Method Summary

Methods

Modifier and Type	Method and Description
Object	callback(String method, Object arg) Implements CallbackIface.
void	clear() Clears the context.
String[]	getContextFunctionNames() Returns {"reactant", "product", "ratom", "patom"}.
RxnMolecule	getReaction() Returns the reaction.
boolean	isEmpty() Returns true if the context is empty.
void	setProductAtomsByMap(MolAtom[] ma) Deprecated. use setReaction(RxnMolecule) instead. Sets the map -> product atom array.
void	setProducts(Molecule[] products) Deprecated. Use setReaction(RxnMolecule) instead. Sets the products.
void	setReactantAtomsByMap(MolAtom[] ma) Deprecated. use setReaction(RxnMolecule) instead. Sets the map -> reactant atom array.
void	setReactants(Molecule[] reactants) Deprecated. Use setReaction(RxnMolecule) instead. Sets the reactants.
void	setReaction(RxnMolecule reaction) Sets the reaction.

Methods inherited from class java.lang.Object

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

Field Detail

REACTANT

public static final String REACTANT

See Also:

Constant Field Values

PRODUCT

public static final String PRODUCT

See Also:

Constant Field Values

RATOM

public static final String RATOM

See Also:

Constant Field Values

PATOM

public static final String PATOM

See Also:

Constant Field Values

CFNS

public static String[] CFNS

The context function names.

Constructor Detail

ReactionContext

public ReactionContext()

Constructor.

ReactionContext

public ReactionContext(RxnMolecule reaction)

Constructs a reaction context with specified reaction.

Parameters:

reaction - the reaction to wrap

Since:

6.2

ReactionContext

@Deprecated
public ReactionContext(boolean copy)

Deprecated. Copy feature is no longer required. Constructor.

Parameters:

copy - is true if map arrays should be copied

Method Detail

getContextFunctionNames

public String[] getContextFunctionNames()

Returns {"reactant", "product", "ratom", "patom"}.

Specified by:

getContextFunctionNames in interface ChemContext

Returns:

{"reactant", "product", "ratom", "patom"}

callback

public Object callback(String method,
              Object arg)

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

method	arg	return value
"reactant"	reactant index (Integer, 0-based)	the reactant
"product"	product index (Integer, 0-based)	the product
"ratom"	atom map (Integer)	the reactant atom
"patom"	atom map (Integer)	the product atom

Specified by:

callback in interface ChemContext

Specified by:

callback in interface chemaxon.marvin.util.CallbackIface

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

setReaction

public void setReaction(RxnMolecule reaction)

Sets the reaction.

Parameters:

reaction - the reaction to set

Since:

6.2

getReaction

public RxnMolecule getReaction()

Returns the reaction.

Returns:

the reaction

Since:

6.2

setReactants

@Deprecated
public void setReactants(Molecule[] reactants)

Deprecated. Use setReaction(RxnMolecule) instead. Sets the reactants.

Parameters:

reactants - is the reactant array

setProducts

@Deprecated
public void setProducts(Molecule[] products)

Deprecated. Use setReaction(RxnMolecule) instead. Sets the products.

Parameters:

products - is the product array

setReactantAtomsByMap

@Deprecated
public void setReactantAtomsByMap(MolAtom[] ma)

Deprecated. use setReaction(RxnMolecule) instead. Sets the map -> reactant atom array.

Parameters:

ma - is the map -> reactant atom array

setProductAtomsByMap

@Deprecated
public void setProductAtomsByMap(MolAtom[] ma)

Deprecated. use setReaction(RxnMolecule) instead. Sets the map -> product atom array.

Parameters:

ma - is the map -> product atom array

isEmpty

public boolean isEmpty()

Returns true if the context is empty.

Returns:

true if the context is empty

clear

public void clear()

Clears the context.

Specified by:

clear in interface ChemContext