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org.openscience.cdk.interfaces.IReaction Interface Reference
Inheritance diagram for org.openscience.cdk.interfaces.IReaction:
Collaboration diagram for org.openscience.cdk.interfaces.IReaction:

List of all members.

Classes

enum  Direction

Public Member Functions

void addAgent (IMolecule agent)
void addListener (IChemObjectListener col)
void addMapping (IMapping mapping)
void addProduct (IMolecule product)
void addProduct (IMolecule product, Double coefficient)
void addReactant (IMolecule reactant)
void addReactant (IMolecule reactant, Double coefficient)
Object clone () throws CloneNotSupportedException
IMoleculeSet getAgents ()
IChemObjectBuilder getBuilder ()
IReaction.Direction 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 ()
Map< Object, Object > getProperties ()
Object getProperty (Object description)
Double getReactantCoefficient (IMolecule reactant)
Double[] getReactantCoefficients ()
int getReactantCount ()
IMoleculeSet getReactants ()
Iterable< IMappingmappings ()
void notifyChanged ()
void notifyChanged (IChemObjectChangeEvent evt)
void removeListener (IChemObjectListener col)
void removeMapping (int pos)
void removeProperty (Object description)
void setDirection (IReaction.Direction 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 (Map< Object, Object > properties)
void setProperty (Object description, Object property)
boolean setReactantCoefficient (IMolecule reactant, Double coefficient)
boolean setReactantCoefficients (Double[] coefficients)
void setReactants (IMoleculeSet reactants)
String toString ()

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 .githash

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

Definition at line 47 of file IReaction.java.


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

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