org.openscience.cdk.signature

Class Orbit

java.lang.Object

org.openscience.cdk.signature.Orbit

All Implemented Interfaces:

Cloneable, Iterable<Integer>

@TestClass(value="org.openscience.cdk.signature.OrbitTest")
public class Orbit
extends Object
implements Iterable<Integer>, Cloneable

A list of atom indices, and the label of the orbit.

Author:

maclean

Constructor Summary

Constructors

Constructor and Description
Orbit(String label, int height)

Method Summary

Methods

Modifier and Type	Method and Description
void	addAtom(int atomIndex) Adds an atom index to the orbit.
Object	clone()
boolean	contains(int atomIndex) Checks to see if the orbit contains this atom index.
List<Integer>	getAtomIndices() Gets all the atom indices as a list.
int	getFirstAtom() Gets the first atom index of the orbit.
int	getHeight() Gets the height of the signature label.
String	getLabel() Gets the label of the orbit.
boolean	hasLabel(String otherLabel) Checks to see if the orbit has this string as a label.
boolean	isEmpty() Checks to see if the orbit is empty.
Iterator<Integer>	iterator()
void	remove(int atomIndex) Removes an atom index from the orbit.
void	sort() Sorts the atom indices in this orbit
String	toString()

Methods inherited from class java.lang.Object

equals, getClass, hashCode, notify, notifyAll, wait, wait, wait

Constructor Detail

Orbit

public Orbit(String label,
     int height)

Parameters:

label -

height -

Method Detail

iterator

@TestMethod(value="iteratorTest")
public Iterator<Integer> iterator()

Specified by:

iterator in interface Iterable<Integer>

clone

@TestMethod(value="testClone")
public Object clone()

Overrides:

clone in class Object

sort

@TestMethod(value="sortTest")
public void sort()

Sorts the atom indices in this orbit

getHeight

@TestMethod(value="getHeightTest")
public int getHeight()

Gets the height of the signature label.

Returns:

the height of the signature of this orbit

getAtomIndices

@TestMethod(value="getAtomIndicesTest")
public List<Integer> getAtomIndices()

Gets all the atom indices as a list.

Returns:

the atom indices

addAtom

@TestMethod(value="addAtomTest")
public void addAtom(int atomIndex)

Adds an atom index to the orbit.

Parameters:

atomIndex - the atom index

hasLabel

@TestMethod(value="hasLabelTest")
public boolean hasLabel(String otherLabel)

Checks to see if the orbit has this string as a label.

Parameters:

otherLabel - the label to compare with

Returns:

true if it has this label

isEmpty

@TestMethod(value="isEmptyTest")
public boolean isEmpty()

Checks to see if the orbit is empty.

Returns:

true if there are no atom indices in the orbit

getFirstAtom

@TestMethod(value="getFirstAtomTest")
public int getFirstAtom()

Gets the first atom index of the orbit.

Returns:

the first atom index

remove

@TestMethod(value="removeTest")
public void remove(int atomIndex)

Removes an atom index from the orbit.

Parameters:

atomIndex - the atom index to remove

getLabel

@TestMethod(value="getLabelTest")
public String getLabel()

Gets the label of the orbit.

Returns:

the orbit's string label

contains

@TestMethod(value="containsTest")
public boolean contains(int atomIndex)

Checks to see if the orbit contains this atom index.

Parameters:

atomIndex - the atom index to look for

Returns:

true if the orbit contains this atom index

toString

@TestMethod(value="toStringTest")
public String toString()

Overrides:

toString in class Object