org.openscience.cdk.fingerprint

Class StandardSubstructureSets

java.lang.Object

org.openscience.cdk.fingerprint.StandardSubstructureSets

@TestClass(value="org.openscience.cdk.fingerprint.StandardSubstructureSetsTest")
public class StandardSubstructureSets
extends Object

Default sets of atom containers aimed for use with the substructure

Author:

egonw

Constructor Summary

Constructors

Constructor and Description
StandardSubstructureSets()

Method Summary

Methods

Modifier and Type	Method and Description
static String[]	getFunctionalGroupSMARTS()

Methods inherited from class java.lang.Object

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

Constructor Detail

StandardSubstructureSets

public StandardSubstructureSets()

Method Detail

getFunctionalGroupSMARTS

@TestMethod(value="testGetFunctionalGroupSubstructureSet")
public static String[] getFunctionalGroupSMARTS()
                                         throws Exception

Returns:

A set of the functional groups.

Throws:

Exception - if there is an error parsing SMILES for the functional groups