org.openscience.cdk.interfaces

Interface IMoleculeSet

All Superinterfaces:

Cloneable, IAtomContainerSet, ICDKObject, IChemObject

All Known Implementing Classes:

DebugMoleculeSet, MoleculeSet, MoleculeSet, NNMoleculeSet

public interface IMoleculeSet
extends IAtomContainerSet

Represents a set of Molecules.

Author:

egonw

Created on:

2005-08-25

Method Summary

Methods

Modifier and Type	Method and Description
void	add(IMoleculeSet moleculeSet) Adds all molecules in the MoleculeSet to this container.
void	addMolecule(IMolecule molecule) Adds an IMolecule to this container.
IMolecule	getMolecule(int number) Returns the Molecule at position number in the container.
int	getMoleculeCount() Returns the number of Molecules in this Container.
Iterable<IAtomContainer>	molecules() Returns the array of Molecules of this container.
void	setMolecules(IMolecule[] molecules) Sets the molecules in the IMoleculeSet, removing previously added IMolecule's.

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

add, addAtomContainer, addAtomContainer, atomContainers, getAtomContainer, getAtomContainerCount, getMultiplier, getMultiplier, getMultipliers, isEmpty, removeAllAtomContainers, removeAtomContainer, removeAtomContainer, replaceAtomContainer, setMultiplier, setMultiplier, setMultipliers, sortAtomContainers

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

addListener, clone, getFlag, getFlags, getID, getListenerCount, getNotification, getProperties, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, toString

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

getBuilder

Method Detail

addMolecule

void addMolecule(IMolecule molecule)

Adds an IMolecule to this container.

Parameters:

molecule - The molecule to be added to this container

add

void add(IMoleculeSet moleculeSet)

Adds all molecules in the MoleculeSet to this container.

Parameters:

moleculeSet - The MoleculeSet to add

setMolecules

void setMolecules(IMolecule[] molecules)

Sets the molecules in the IMoleculeSet, removing previously added IMolecule's.

Parameters:

molecules - New set of molecules

See Also:

molecules()

molecules

Iterable<IAtomContainer> molecules()

Returns the array of Molecules of this container.

Returns:

The array of Molecules of this container

See Also:

setMolecules(IMolecule[])

getMolecule

IMolecule getMolecule(int number)

Returns the Molecule at position number in the container.

Parameters:

number - The position of the Molecule to be returned.

Returns:

The Molecule at position number .

getMoleculeCount

int getMoleculeCount()

Returns the number of Molecules in this Container.

Returns:

The number of Molecules in this Container