com.chemaxon.descriptors.fingerprints.cfp

Class CfpParameters.Builder

java.lang.Object

com.chemaxon.descriptors.fingerprints.cfp.CfpParameters.Builder

All Implemented Interfaces:

ParameterBuilder<CfpParameters>

Enclosing class:

CfpParameters

public static class CfpParameters.Builder
extends java.lang.Object
implements ParameterBuilder<CfpParameters>

Builder class for the immutable parameter object.

Constructor Summary

Constructors

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

Method Summary

Modifier and Type	Method and Description
CfpParameters.Builder	bitsPerPattern(int bitsPerPattern) Set bits per pattern.
CfpParameters.Builder	bondCount(int bondCount) Set bond count to consider.
CfpParameters	build() Constructs an immutable instance of T.
CfpParameters.Builder	length(int length) Set fingerprint length, the bit count of the folded binary fingerprint representation.
CfpParameters.Builder	rings(boolean rings) Set rings parameter.

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(CfpParameters parameters)

Constructor based on a parameter object.

Parameters:

parameters - Parameter object

Method Detail

bondCount

public CfpParameters.Builder bondCount(int bondCount)

Set bond count to consider.

The maximum length of consecutive bonds in the linear paths that are considered during the fragmentation of the molecule.

Parameters:

bondCount - Bond count parameter to set. Use zero to consider no bonds, just atoms

Returns:

Reference to this builder

Throws:

java.lang.IllegalArgumentException - when the set diameter is a negative number

length

public CfpParameters.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:

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

bitsPerPattern

public CfpParameters.Builder bitsPerPattern(int bitsPerPattern)

Set bits per pattern.

The number of bits used to code each pattern in the hashed binary vector representation.

Parameters:

bitsPerPattern - Bits per pattern parameter

Returns:

Reference to this builder

Throws:

java.lang.IllegalArgumentException - when parameter's value is less than one

rings

public CfpParameters.Builder rings(boolean rings)

Set rings parameter.

When true fingerprint bits are calculated for individual rings up to a certain size limit.

Parameters:

rings - Rings parameter

Returns:

Reference to this builder

build

public CfpParameters build()

Description copied from interface: ParameterBuilder

Constructs an immutable instance of T.

Specified by:

build in interface ParameterBuilder<CfpParameters>

Returns:

An immutable instance of T