NeighborList (cdk 2.9 API)

java.lang.Object
- org.openscience.cdk.geometry.surface.NeighborList

```
public class NeighborList
extends Object
```
Creates a list of atoms neighboring each atom in the molecule.
The routine is a simplified version of the neighbor list described in [Eisenhaber, F. et. al.. Journal of Computational Chemistry. 1995. 16] and is based on the implementation by Peter McCluskey. Due to the fact that it divides the cube into a fixed number of sub cubes, some accuracy may be lost.

Author:

Rajarshi Guha

Source code:
main

Belongs to CDK module:
qsarmolecular

Created on:

2005-05-09

Constructor Summary

Constructors
Constructor Description

NeighborList(IAtom[] atoms, double radius)

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`int[]`	`getNeighbors(int i)`	Get the neighbors that are with the given radius of atom i.
`int`	`getNumberOfNeighbors(int i)`

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

- Constructor Detail
  - NeighborList
```
public NeighborList(IAtom[] atoms,
                    double radius)
```
- Method Detail
  - getNumberOfNeighbors
```
public int getNumberOfNeighbors(int i)
```
  - getNeighbors
```
public int[] getNeighbors(int i)
```
    Get the neighbors that are with the given radius of atom i.
    
    Parameters:
    
    i - atom index
    
    Returns:
    
    atom indexs within that radius