Package com.chemaxon.descriptors.fingerprints.cfp

Class CfpParameters

java.lang.Object
com.chemaxon.descriptors.fingerprints.cfp.CfpParameters
All Implemented Interfaces:
DescriptorParameters, Serializable
@Beta @PublicApi 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.

See Also:

  • Field Details

    • 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:

    • 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:

    • DEFAULT_CFP_LENGTH

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

    • DEFAULT_CONSIDER_RINGS

      public static final boolean DEFAULT_CONSIDER_RINGS
      Default ring settings.
      See Also:

  • Constructor Details

    • CfpParameters

      public CfpParameters()
      Constructor using the default settings.

  • Method Details

    • 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

    • getRings

      public boolean getRings()
      Return rings settings.
      Returns:
      Rings settings