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


com.chemaxon.descriptors.fingerprints.cfp
Class CfpParameters

Object
  extended by com.chemaxon.descriptors.fingerprints.cfp.CfpParameters
All Implemented Interfaces:
DescriptorParameters, Serializable

@Beta
public class CfpParameters
extends Object
implements DescriptorParameters

CFP 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
See Also:
Serialized Form

Nested Class Summary
static class CfpParameters.Builder
          Builder class for the immutable parameter object.
protected static interface CfpParameters.ConstructCfpGenerator
          Interface representing CFP generator constructor.
 
Field Summary
static int DEFAULT_BITS_TO_SET_FOR_PATTERNS
          The number of bits used to code each pattern in the hashed binary vector representation.
static int DEFAULT_CFP_LENGTH
          Default length (bit count) for CFP - folded binary fingerprint representation.
static int DEFAULT_CFP_MAX_PATTERN_LENGTH
          The maximum length of consecutive bonds in the linear paths that are considered during the fragmentation of the molecule.
 
Constructor Summary
CfpParameters()
          Constructor using the default settings.
 
Method Summary
static CfpParameters.Builder createNewBuilder()
          Construct a builder for this parameter class, initialized to default.
 int getBitsPerPattern()
          Bits set for each pattern.
 int getBondCount()
          Max pattern length considered (bond count).
 CfpGenerator getDescriptorGenerator()
          Return the represented descriptor generator.
 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_CFP_MAX_PATTERN_LENGTH

public static final int DEFAULT_CFP_MAX_PATTERN_LENGTH
The maximum length of consecutive bonds in the linear paths that are considered during the fragmentation of the molecule.

The length of cyclic patterns is limited to a fixed ring size.

See Also:
Constant Field Values

DEFAULT_BITS_TO_SET_FOR_PATTERNS

public static final int DEFAULT_BITS_TO_SET_FOR_PATTERNS
The number of bits used to code each pattern in the hashed binary vector representation.

See Also:
Constant Field Values

DEFAULT_CFP_LENGTH

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

See Also:
Constant Field Values
Constructor Detail

CfpParameters

public CfpParameters()
Constructor using the default settings.

Method Detail

getDescriptorGenerator

public CfpGenerator 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 CfpParameters.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

getBondCount

public int getBondCount()
Max pattern length considered (bond count).

Returns:
Max pattern length considered (bond count).

getBitsPerPattern

public int getBitsPerPattern()
Bits set for each pattern.

Returns:
Bits set for each pattern.

getLength

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

Returns:
Fingerprint length

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