jklustor-all-api-0.0.7-20140619012755 (ChemAxon)


com.chemaxon.descriptors.fingerprints.ecfp
Class EcfpParameters

Object
  extended by com.chemaxon.descriptors.fingerprints.ecfp.EcfpParameters
All Implemented Interfaces:
DescriptorParameters, Serializable

@Beta
public class EcfpParameters
extends Object
implements DescriptorParameters

ECFP 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.

Author:
Gabor Imre, Laszlo Antal
See Also:
Serialized Form

Nested Class Summary
static class EcfpParameters.Builder
          Builder class for the immutable parameter object.
protected static interface EcfpParameters.ConstructEcfpGenerator
          Interface representing ECFP generator constructor.
 
Field Summary
static EcfpAtomTypizers DEFAULT_ECFP_ATOMTYPIZER
          Default ECFP atom typizer to use.
static int DEFAULT_ECFP_DIAMETER
          Default diameter to use.
static int DEFAULT_ECFP_LENGTH
          Default length (bit count) for ECFP - folded binary fingerprint representation.
 
Constructor Summary
EcfpParameters()
          Constructor using the default settings.
 
Method Summary
static EcfpParameters.Builder createNewBuilder()
          Construct a builder for this parameter class, initialized to default.
 EcfpAtomTypizers getAtomTypizer()
          Atom typizer to use.
 EcfpGenerator getDescriptorGenerator()
          Return the represented descriptor generator.
 int getDiameter()
          The maximum diameter of the circular neighborhoods.
 int getLength()
          Returns represented fingerprint length (bit count) setting.
 String toString()
           
 
Methods inherited from class Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait
 

Field Detail

DEFAULT_ECFP_DIAMETER

public static final int DEFAULT_ECFP_DIAMETER
Default diameter to use.

See Also:
Constant Field Values

DEFAULT_ECFP_LENGTH

public static final int DEFAULT_ECFP_LENGTH
Default length (bit count) for ECFP - folded binary fingerprint representation.

See Also:
Constant Field Values

DEFAULT_ECFP_ATOMTYPIZER

public static final EcfpAtomTypizers DEFAULT_ECFP_ATOMTYPIZER
Default ECFP atom typizer to use.

Constructor Detail

EcfpParameters

public EcfpParameters()
Constructor using the default settings.

Method Detail

getDescriptorGenerator

public EcfpGenerator 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

createNewBuilder

public static EcfpParameters.Builder createNewBuilder()
Construct a builder for this parameter class, initialized to default.

Returns:
Builder initialized to default settings

toString

public String toString()
Overrides:
toString in class Object

getDiameter

public int getDiameter()
The maximum diameter of the circular neighborhoods.

Returns:
Diameter considered

getLength

public int getLength()
Returns represented fingerprint length (bit count) setting.

Returns:
Fingerprint length

getAtomTypizer

public EcfpAtomTypizers getAtomTypizer()
Atom typizer to use.

Returns:
Atom typizer to use

jklustor-all-api-0.0.7-20140619012755 (ChemAxon)