com.chemaxon.descriptors.fingerprints.ecfp

Class EcfpParameters.Builder

java.lang.Object

com.chemaxon.descriptors.fingerprints.ecfp.EcfpParameters.Builder

All Implemented Interfaces:

ParameterBuilder<EcfpParameters>

Enclosing class:

EcfpParameters

public static class EcfpParameters.Builder
extends Object
implements ParameterBuilder<EcfpParameters>

Builder class for the immutable parameter object.

Constructor Summary

Constructors

Constructor and Description
Builder() Constructor with default settings.
Builder(EcfpParameters parameters) Constructor based on a parameter object.

Method Summary

Modifier and Type	Method and Description
EcfpParameters.Builder	atomTypizer(EcfpAtomTypizers atomTypizer) Set atom typizer to use.
EcfpParameters	build() Constructs an immutable instance of T.
EcfpParameters.Builder	diameter(int diameter) Sets diameter.
EcfpParameters.Builder	identifierConfigurationXml(String identifierConfigurationXml) Set identifier configuration XML to use for custom typizer.
EcfpParameters.Builder	length(int length) Set fingerprint length, the bit count of the folded binary fingerprint representation.

Methods inherited from class java.lang.Object

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

Constructor Detail

Builder

public Builder()

Constructor with default settings.

Builder

public Builder(EcfpParameters parameters)

Constructor based on a parameter object.

Parameters:

parameters - Parameter object

Method Detail

diameter

public EcfpParameters.Builder diameter(int diameter)

Sets diameter.

Parameters:

diameter - Diameter to set

Returns:

Reference to this builder

Throws:

IllegalArgumentException - when the set diameter is a negative or odd number

length

public EcfpParameters.Builder length(int length)

Set fingerprint length, the bit count of the folded binary fingerprint representation.

Parameters:

length - new length

Returns:

Reference to this builder

Throws:

IllegalArgumentException - when the set length is not a positive number, or not multiply of 32

atomTypizer

public EcfpParameters.Builder atomTypizer(EcfpAtomTypizers atomTypizer)

Set atom typizer to use.

Parameters:

atomTypizer - Atom typizer to use. Note that when EcfpAtomTypizers.CUSTOMXML is used then the identifier configuration must be set by #identifierConfigurationXmlForCustom(java.lang.String).

Returns:

Reference to this builder

identifierConfigurationXml

public EcfpParameters.Builder identifierConfigurationXml(String identifierConfigurationXml)

Set identifier configuration XML to use for custom typizer. Do not forget to set EcfpAtomTypizers.CUSTOMXML with atomTypizer(com.chemaxon.descriptors.fingerprints.ecfp.EcfpAtomTypizers).

Parameters:

identifierConfigurationXml - Identifier configuration XML.

Returns:

Reference to this builder.

build

public EcfpParameters build()

Description copied from interface: ParameterBuilder

Constructs an immutable instance of T.

Specified by:

build in interface ParameterBuilder<EcfpParameters>

Returns:

An immutable instance of T