Package org.openscience.cdk.formula

Class MolecularFormulaSet

java.lang.Object

org.openscience.cdk.formula.MolecularFormulaSet

All Implemented Interfaces:

Cloneable, Iterable<IMolecularFormula>, ICDKObject, IMolecularFormulaSet

Direct Known Subclasses:

DebugMolecularFormulaSet

public class MolecularFormulaSet
extends Object
implements Iterable<IMolecularFormula>, IMolecularFormulaSet, Cloneable

Class defining an set object of MolecularFormulas. It maintains a list of list IMolecularFormula.

Author:

miguelrojasch

Source code:

main

Belongs to CDK module:

data

Keywords:

molecular formula

Created on:

2007-11-20

Constructor Summary

Constructors

Constructor	Description
MolecularFormulaSet()	Constructs an empty MolecularFormulaSet.
MolecularFormulaSet(IMolecularFormula formula)	Constructs a MolecularFormulaSet with a copy MolecularFormulaSet of another MolecularFormulaSet (A shallow copy, i.e., with the same objects as in the original MolecularFormulaSet).

Method Summary

Modifier and Type	Method	Description
void	add(IMolecularFormulaSet formulaSet)	Adds all molecularFormulas in the MolecularFormulaSet to this chemObject.
void	addMolecularFormula(IMolecularFormula formula)	Adds an molecularFormula to this chemObject.
Object	clone()	Clones this MolecularFormulaSet object and its content.
boolean	contains(IMolecularFormula formula)	True, if the MolecularFormulaSet contains the given IMolecularFormula object.
IChemObjectBuilder	getBuilder()	Returns a IChemObjectBuilder for the data classes that extend this class.
IMolecularFormula	getMolecularFormula(int position)	Returns the MolecularFormula at position number in the chemObject.
Iterator<IMolecularFormula>	iterator()	Returns an Iterator for looping over all IMolecularFormula in this MolecularFormulaSet.
Iterable<IMolecularFormula>	molecularFormulas()	Returns an Iterable for looping over all IMolecularFormula in this MolecularFormulaSet.
void	removeAllMolecularFormulas()	Removes all IMolecularFormula from this chemObject.
void	removeMolecularFormula(int position)	Removes an MolecularFormula from this chemObject.
void	removeMolecularFormula(IMolecularFormula formula)	Removes an IMolecularFormula from this chemObject.
int	size()	Returns the number of MolecularFormulas in this MolecularFormulaSet.

Methods inherited from class java.lang.Object

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

Methods inherited from interface java.lang.Iterable

forEach, spliterator

Constructor Details

MolecularFormulaSet

public MolecularFormulaSet()

Constructs an empty MolecularFormulaSet.

See Also:

• MolecularFormulaSet(IMolecularFormula)

MolecularFormulaSet

public MolecularFormulaSet(IMolecularFormula formula)

Constructs a MolecularFormulaSet with a copy MolecularFormulaSet of another MolecularFormulaSet (A shallow copy, i.e., with the same objects as in the original MolecularFormulaSet).

Parameters:

formula - An MolecularFormula to copy from

See Also:

• MolecularFormulaSet()

Method Details

add

public void add(IMolecularFormulaSet formulaSet)

Adds all molecularFormulas in the MolecularFormulaSet to this chemObject.

Specified by:

add in interface IMolecularFormulaSet

Parameters:

formulaSet - The MolecularFormulaSet

addMolecularFormula

public void addMolecularFormula(IMolecularFormula formula)

Adds an molecularFormula to this chemObject.

Specified by:

addMolecularFormula in interface IMolecularFormulaSet

Parameters:

formula - The molecularFormula to be added to this chemObject

molecularFormulas

public Iterable<IMolecularFormula> molecularFormulas()

Returns an Iterable for looping over all IMolecularFormula in this MolecularFormulaSet.

Specified by:

molecularFormulas in interface IMolecularFormulaSet

Returns:

An Iterable with the IMolecularFormula in this MolecularFormulaSet

See Also:

• IMolecularFormulaSet.addMolecularFormula(IMolecularFormula)

iterator

public Iterator<IMolecularFormula> iterator()

Returns an Iterator for looping over all IMolecularFormula in this MolecularFormulaSet.

Specified by:

iterator in interface Iterable<IMolecularFormula>

Returns:

An Iterator with the IMolecularFormula in this MolecularFormulaSet

size

public int size()

Returns the number of MolecularFormulas in this MolecularFormulaSet.

Specified by:

size in interface IMolecularFormulaSet

Returns:

The number of MolecularFormulas in this MolecularFormulaSet

contains

public boolean contains(IMolecularFormula formula)

True, if the MolecularFormulaSet contains the given IMolecularFormula object.

Specified by:

contains in interface IMolecularFormulaSet

Parameters:

formula - The IMolecularFormula this MolecularFormulaSet is searched for

Returns:

True, if the MolecularFormulaSet contains the given IMolecularFormula object

getMolecularFormula

public IMolecularFormula getMolecularFormula(int position)

Returns the MolecularFormula at position number in the chemObject.

Specified by:

getMolecularFormula in interface IMolecularFormulaSet

Parameters:

position - The position of the IMolecularFormula to be returned.

Returns:

The IMolecularFormula at position number .

removeAllMolecularFormulas

public void removeAllMolecularFormulas()

Removes all IMolecularFormula from this chemObject.

Specified by:

removeAllMolecularFormulas in interface IMolecularFormulaSet

removeMolecularFormula

public void removeMolecularFormula(IMolecularFormula formula)

Removes an IMolecularFormula from this chemObject.

Specified by:

removeMolecularFormula in interface IMolecularFormulaSet

Parameters:

formula - The IMolecularFormula to be removed from this chemObject

removeMolecularFormula

public void removeMolecularFormula(int position)

Removes an MolecularFormula from this chemObject.

Specified by:

removeMolecularFormula in interface IMolecularFormulaSet

Parameters:

position - The position of the MolecularFormula to be removed from this chemObject

clone

public Object clone()
             throws CloneNotSupportedException

Clones this MolecularFormulaSet object and its content.

Specified by:

clone in interface IMolecularFormulaSet

Overrides:

clone in class Object

Returns:

The cloned object

Throws:

CloneNotSupportedException

getBuilder

public IChemObjectBuilder getBuilder()

Description copied from interface: ICDKObject

Returns a IChemObjectBuilder for the data classes that extend this class.

Specified by:

getBuilder in interface ICDKObject

Returns:

The IChemObjectBuilder matching this ICDKObject