Package com.chemaxon.descriptors.fingerprints.pf2d

Class PfParameters

java.lang.Object

com.chemaxon.descriptors.fingerprints.pf2d.PfParameters

All Implemented Interfaces:

DescriptorParameters, Serializable

@Beta
@PublicApi
public class PfParameters
extends Object
implements DescriptorParameters

Pharmacophore FP parameters class.

Please note that this class is marked with @Beta annotation, so it can be subject of incompatible changes or removal in later releases.

See Also:

• Serialized Form

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	PfParameters.Builder	Builder class for the immutable parameter object.
static interface	PfParameters.ConstructPfGenerator	Interface representing PF generator constructor.

Constructor Summary

Constructors

Constructor	Description
PfParameters()	Constructor using the default settings.

Method Summary

Modifier and Type	Method	Description
static PfParameters.Builder	createNewBuilder()	Construct a builder for this parameter class, initialized to default.
PfGenerator	getDescriptorGenerator()	Return the represented descriptor generator.
Optional<String>	getXmlConfig()	The XML configuration string.
String	toString()

Methods inherited from class java.lang.Object

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

Constructor Details

PfParameters

public PfParameters()

Constructor using the default settings.

Method Details

createNewBuilder

public static PfParameters.Builder createNewBuilder()

Construct a builder for this parameter class, initialized to default.

Returns:

Builder initialized to default settings

getDescriptorGenerator

public PfGenerator getDescriptorGenerator()

Description copied from interface: DescriptorParameters

Return the represented descriptor generator.

Please note that certain descriptors might provide multiple DescriptorGenerator implementations for different descriptor representations. (Consider structure based fingerprints feature list/feature counts/folded finite binary vector representations.) Such different descriptor generators might be exposed through their parameters object as multiple factory methods.

Specified by:

getDescriptorGenerator in interface DescriptorParameters

Returns:

Associated generator

toString

public String toString()

Overrides:

toString in class Object

getXmlConfig

public Optional<String> getXmlConfig()

The XML configuration string.

Returns:

config string