Package org.openscience.cdk.tools.manipulator

Class ChemSequenceManipulator

java.lang.Object

org.openscience.cdk.tools.manipulator.ChemSequenceManipulator

public class ChemSequenceManipulator
extends Object

Class with convenience methods that provide methods from methods from ChemObjects within the ChemSequence.

See Also:

AtomContainer.removeAtomAndConnectedElectronContainers(IAtom)

Source code:

main

Belongs to CDK module:

standard

Constructor Summary

Constructors

Constructor	Description
ChemSequenceManipulator()

Method Summary

Modifier and Type	Method	Description
static List<IAtomContainer>	getAllAtomContainers(IChemSequence sequence)	Returns all the AtomContainer's of a ChemSequence.
static List<IChemObject>	getAllChemObjects(IChemSequence sequence)	Returns a List of all IChemObject inside a ChemSequence.
static List<String>	getAllIDs(IChemSequence sequence)
static int	getAtomCount(IChemSequence sequence)	Get the total number of atoms inside an IChemSequence.
static int	getBondCount(IChemSequence sequence)	Get the total number of bonds inside an IChemSequence.

Methods inherited from class java.lang.Object

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

Constructor Detail

ChemSequenceManipulator

public ChemSequenceManipulator()

Method Detail

getAtomCount

public static int getAtomCount(IChemSequence sequence)

Get the total number of atoms inside an IChemSequence.

Parameters:

sequence - The IChemSequence object.

Returns:

The number of Atom objects inside.

getBondCount

public static int getBondCount(IChemSequence sequence)

Get the total number of bonds inside an IChemSequence.

Parameters:

sequence - The IChemSequence object.

Returns:

The number of Bond objects inside.

getAllAtomContainers

public static List<IAtomContainer> getAllAtomContainers(IChemSequence sequence)

Returns all the AtomContainer's of a ChemSequence.

getAllChemObjects

public static List<IChemObject> getAllChemObjects(IChemSequence sequence)

Returns a List of all IChemObject inside a ChemSequence.

Returns:

A List of all ChemObjects.

getAllIDs

public static List<String> getAllIDs(IChemSequence sequence)