Package org.openscience.cdk.interfaces

Interface IMolecularFormulaSet

All Superinterfaces:

Cloneable, ICDKObject

All Known Subinterfaces:

IAdductFormula

All Known Implementing Classes:

AdductFormula, AdductFormula, DebugAdductFormula, DebugMolecularFormulaSet, MolecularFormulaSet, MolecularFormulaSet

public interface IMolecularFormulaSet
extends ICDKObject

Class defining a molecular formula object. It maintains a list of list IMoleculaFormula.

Examples:

• [C5H5]-
• C6H6
• 12C513CH6

Author:

miguelrojasch

Source code:

main

Belongs to CDK module:

interfaces

Keywords:

molecular formula

Created on:

2007-11-20

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 IMolecularFormula to this chemObject.
Object	clone()	Clones this IMolecularFormulaSet object and its content.
boolean	contains(IMolecularFormula formula)	True, if the IMolecularFormulaSet contains the given IMolecularFormula object.
IMolecularFormula	getMolecularFormula(int position)	Returns the IMolecularFormula at position number in the chemObject.
Iterable<IMolecularFormula>	molecularFormulas()	Returns the array of IMolecularFormula of this chemObject.
void	removeAllMolecularFormulas()	Removes all IMolecularFormula of this IMolecularFormulaSet.
void	removeMolecularFormula(int position)	Removes the IMolecularFormula at the given position from the IMolecularFormulaSet.
void	removeMolecularFormula(IMolecularFormula formula)	Removes the given IMolecularFormula from the IMolecularFormulaSet.
int	size()	Returns the number of MolecularFormulas in this IMolecularFormulaSet.

Methods inherited from interface org.openscience.cdk.interfaces.ICDKObject

getBuilder

Method Detail

add

void add(IMolecularFormulaSet formulaSet)

Adds all molecularFormulas in the MolecularFormulaSet to this chemObject.

Parameters:

formulaSet - The MolecularFormulaSet

addMolecularFormula

void addMolecularFormula(IMolecularFormula formula)

Adds an IMolecularFormula to this chemObject.

Parameters:

formula - The IMolecularFormula to be added to this chemObject

getMolecularFormula

IMolecularFormula getMolecularFormula(int position)

Returns the IMolecularFormula at position number in the chemObject.

Parameters:

position - The position of the MolecularFormula to be returned.

Returns:

The IMolecularFormula at position number .

molecularFormulas

Iterable<IMolecularFormula> molecularFormulas()

Returns the array of IMolecularFormula of this chemObject.

Returns:

The array of IMolecularFormulas of this chemObject

See Also:

addMolecularFormula(IMolecularFormula)

size

int size()

Returns the number of MolecularFormulas in this IMolecularFormulaSet.

Returns:

The number of MolecularFormulas in this IMolecularFormulaSet

contains

boolean contains(IMolecularFormula formula)

True, if the IMolecularFormulaSet contains the given IMolecularFormula object.

Parameters:

formula - The IMolecularFormula this IMolecularFormulaSet is searched for

Returns:

True, if the IMolecularFormulaSet contains the given formula object

removeMolecularFormula

void removeMolecularFormula(IMolecularFormula formula)

Removes the given IMolecularFormula from the IMolecularFormulaSet.

Parameters:

formula - The IMolecularFormula to be removed

removeMolecularFormula

void removeMolecularFormula(int position)

Removes the IMolecularFormula at the given position from the IMolecularFormulaSet.

Parameters:

position - The position of the IMolecularFormula to be removed.

removeAllMolecularFormulas

void removeAllMolecularFormulas()

Removes all IMolecularFormula of this IMolecularFormulaSet.

clone

Object clone()
      throws CloneNotSupportedException

Clones this IMolecularFormulaSet object and its content.

Returns:

The cloned object

Throws:

CloneNotSupportedException