org.openscience.cdk

Class DefaultChemObjectBuilder

java.lang.Object

org.openscience.cdk.DefaultChemObjectBuilder

All Implemented Interfaces:

IChemObjectBuilder

public class DefaultChemObjectBuilder
extends Object
implements IChemObjectBuilder

A factory class to provide implementation independent ICDKObjects.

     IChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();

     IAtom a = builder.newInstance(IAtom.class);
     IAtom c12 = builder.newInstance(IAtom.class, "C");
     IAtom c13 = builder.newInstance(IAtom.class,
                                     builder.newInstance(IIsotope.class,
                                                         "C", 13));
 

Author:

egonw, john may

Source code:

master

Belongs to CDK module:

data

Method Summary

Modifier and Type	Method and Description
static IChemObjectBuilder	getInstance() Access the singleton instance of this DefaultChemObjectBuilder.
IAtom	newAtom() Create a new atom using the default constructor.
IAtomContainer	newAtomContainer() Create a new atom container using the default constructor.
IBond	newBond() Create a new bond using the default constructor.
<T extends ICDKObject> T	newInstance(Class<T> clazz, Object... params) Creates a new instance of an ICDKObject, using the constructor defined by the given parameters.

Methods inherited from class java.lang.Object

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

Method Detail

getInstance

public static IChemObjectBuilder getInstance()

Access the singleton instance of this DefaultChemObjectBuilder.

 // get the builder instance
 IChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();

 // using the builder...
 // create an IAtom using the default constructor
 IAtom atom = builder.newInstance(IAtom.class);

 // create a carbon atom
 IAtom c1 = builder.newInstance(IAtom.class, "C");
 

Returns:

a DefaultChemObjectBuilder instance

newInstance

public <T extends ICDKObject> T newInstance(Class<T> clazz,
                                            Object... params)

Creates a new instance of an ICDKObject, using the constructor defined by the given parameters.

Specified by:

newInstance in interface IChemObjectBuilder

Type Parameters:

T - Class of an interface extending ICDKObject or ICDKObject itself.

Parameters:

clazz - Interface class to instantiate an instance for.

params - Parameters passed to the constructor of the created instance.

Returns:

Instance created.

newAtom

public IAtom newAtom()

Create a new atom using the default constructor. This method is considerably faster than the dynamic dispatch of newInstance(IAtom.class) and should be used for high throughput applications (e.g. IO).

Specified by:

newAtom in interface IChemObjectBuilder

Returns:

new atom

newBond

public IBond newBond()

Create a new bond using the default constructor. This method is considerably faster than the dynamic dispatch of newInstance(IAtom.class) and should be used for high throughput applications (e.g. IO).

Specified by:

newBond in interface IChemObjectBuilder

Returns:

new bond

newAtomContainer

public IAtomContainer newAtomContainer()

Create a new atom container using the default constructor. This method is considerably faster than the dynamic dispatch of newInstance(IAtom.class) and should be used for high throughput applications (e.g. IO).

Specified by:

newAtomContainer in interface IChemObjectBuilder

Returns:

the new atom container