Package qsardes.descriptor

Class DescriptorFingerprintKlekotaRoth

java.lang.Object

qsardes.descriptor.DescriptorFingerprintKlekotaRoth

All Implemented Interfaces:

Descriptor

Direct Known Subclasses:

QsarMEFingerprintKlekotaRoth, QsarWBFingerprintKlekotaRoth

public abstract class DescriptorFingerprintKlekotaRoth
extends Object
implements Descriptor

Klekota and Roth fingerprints abstract class.

Constructor Summary

Constructors

Modifier	Constructor	Description
protected	DescriptorFingerprintKlekotaRoth()

Method Summary

Modifier and Type	Method	Description
List<String>	get_descriptor_names()	Gets descriptors names.
DescriptorType	get_descriptor_type()	Gets the descriptor class type.
Map<String,String>	get_descriptor_values(AbstractMoleculeBuilder mol_build)	Calculates descriptors values.
String	toString()

Methods inherited from class java.lang.Object

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

Constructor Details

DescriptorFingerprintKlekotaRoth

protected DescriptorFingerprintKlekotaRoth()

Method Details

toString

public String toString()

Overrides:

toString in class Object

get_descriptor_type

public DescriptorType get_descriptor_type()

Description copied from interface: Descriptor

Gets the descriptor class type.

Specified by:

get_descriptor_type in interface Descriptor

Returns:

Descriptor class type.

get_descriptor_names

public List<String> get_descriptor_names()

Description copied from interface: Descriptor

Gets descriptors names.

Specified by:

get_descriptor_names in interface Descriptor

Returns:

Descriptor names.

get_descriptor_values

public Map<String,String> get_descriptor_values(AbstractMoleculeBuilder mol_build)

Description copied from interface: Descriptor

Calculates descriptors values.

Specified by:

get_descriptor_values in interface Descriptor

Parameters:

mol_build - Molecular builder representation.

Returns:

Descriptor values mapped as name:value.