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org::openscience::cdk::interfaces::IReaction Interface Reference

Inheritance diagram for org::openscience::cdk::interfaces::IReaction:

org::openscience::cdk::interfaces::IChemObject org::openscience::cdk::debug::DebugReaction org::openscience::cdk::Reaction org::openscience::cdk::debug::DebugReaction org::openscience::cdk::nonotify::NNReaction

List of all members.


Detailed Description

Represents the idea of a chemical reaction. The reaction consists of a set of reactants and a set of products.

The class mostly represents abstract reactions, such as 2D diagrams, and is not intended to represent reaction trajectories. Such can better be represented with a ChemSequence.

.module interfaces

Author:
Egon Willighagen <elw38@cam.ac.uk> .created 2003-02-13 .keyword reaction

Definition at line 45 of file IReaction.java.


Public Member Functions

void addAgent (IMolecule agent)
void addListener (IChemObjectListener col)
void addMapping (org.openscience.cdk.interfaces.IMapping mapping)
void addProduct (IMolecule product, double coefficient)
void addProduct (IMolecule product)
void addReactant (IMolecule reactant, double coefficient)
void addReactant (IMolecule reactant)
Object clone () throws CloneNotSupportedException
IMoleculeSet getAgents ()
IChemObjectBuilder getBuilder ()
int getDirection ()
boolean getFlag (int flag_type)
boolean[] getFlags ()
String getID ()
int getListenerCount ()
IMapping getMapping (int pos)
int getMappingCount ()
boolean getNotification ()
double getProductCoefficient (IMolecule product)
double[] getProductCoefficients ()
int getProductCount ()
IMoleculeSet getProducts ()
Hashtable getProperties ()
Object getProperty (Object description)
double getReactantCoefficient (IMolecule reactant)
double[] getReactantCoefficients ()
int getReactantCount ()
IMoleculeSet getReactants ()
java.util.Iterator mappings ()
void notifyChanged (IChemObjectChangeEvent evt)
void notifyChanged ()
void removeListener (IChemObjectListener col)
void removeMapping (int pos)
void removeProperty (Object description)
void setDirection (int direction)
void setFlag (int flag_type, boolean flag_value)
void setFlags (boolean[] flagsNew)
void setID (String identifier)
void setNotification (boolean bool)
boolean setProductCoefficient (IMolecule product, double coefficient)
boolean setProductCoefficients (double[] coefficients)
void setProducts (IMoleculeSet products)
void setProperties (Hashtable properties)
void setProperty (Object description, Object property)
boolean setReactantCoefficient (IMolecule reactant, double coefficient)
boolean setReactantCoefficients (double[] coefficients)
void setReactants (IMoleculeSet reactants)
String toString ()

Static Public Attributes

static final int BACKWARD = 2
static final int BIDIRECTIONAL = 3
static final int FORWARD = 1
static final int UNKNOWN_DIRECTION = 0

The documentation for this interface was generated from the following file:

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