org.openscience.cdk.config.fragments

Class EStateFragments

java.lang.Object

org.openscience.cdk.config.fragments.EStateFragments

public class EStateFragments
extends Object

A class representing the 79 E-state atom types in terms of SMARTS.

These fragments were originally described in and were converted into SMARTS forms by the RDKit project

Author:

Greg Landrum

Keywords:

estate, fragment

Created on:

2008-07-22

Constructor Summary

Constructors

Constructor and Description
EStateFragments()

Method Summary

Methods

Modifier and Type	Method and Description
static String[]	getNames() Get the fragment names.
static String[]	getSmarts() Get the SMARTS patterns.

Methods inherited from class java.lang.Object

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

Constructor Detail

EStateFragments

public EStateFragments()

Method Detail

getNames

public static String[] getNames()

Get the fragment names.

Returns:

a string array of the names

getSmarts

public static String[] getSmarts()

Get the SMARTS patterns.

Returns:

a string array with the SMARTS patterns