Class EcfpParameters.Builder
- java.lang.Object
-
- com.chemaxon.descriptors.fingerprints.ecfp.EcfpParameters.Builder
-
- All Implemented Interfaces:
ParameterBuilder<EcfpParameters>
- Enclosing class:
- EcfpParameters
public static class EcfpParameters.Builder extends Object implements ParameterBuilder<EcfpParameters>
Builder class for the immutable parameter object.
-
-
Constructor Summary
Constructors Constructor Description Builder()
Constructor with default settings.Builder(EcfpParameters parameters)
Constructor based on a parameter object.
-
Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description EcfpParameters.Builder
atomTypizer(EcfpAtomTypizers atomTypizer)
Set atom typizer to use.EcfpParameters
build()
Constructs an immutable instance of T.EcfpParameters.Builder
diameter(int diameter)
Sets diameter.EcfpParameters.Builder
identifierConfigurationXml(String identifierConfigurationXml)
Set identifier configuration XML to use for custom typizer.EcfpParameters.Builder
length(int length)
Set fingerprint length, the bit count of the folded binary fingerprint representation.
-
-
-
Constructor Detail
-
Builder
public Builder()
Constructor with default settings.
-
Builder
public Builder(EcfpParameters parameters)
Constructor based on a parameter object.- Parameters:
parameters
- Parameter object
-
-
Method Detail
-
diameter
public EcfpParameters.Builder diameter(int diameter)
Sets diameter.- Parameters:
diameter
- Diameter to set- Returns:
- Reference to this builder
- Throws:
IllegalArgumentException
- when the set diameter is a negative or odd number
-
length
public EcfpParameters.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:
IllegalArgumentException
- when the set length is not a positive number, or not multiply of 32
-
atomTypizer
public EcfpParameters.Builder atomTypizer(EcfpAtomTypizers atomTypizer)
Set atom typizer to use.- Parameters:
atomTypizer
- Atom typizer to use. Note that whenEcfpAtomTypizers.CUSTOMXML
is used then the identifier configuration must be set by#identifierConfigurationXmlForCustom(java.lang.String)
.- Returns:
- Reference to this builder
-
identifierConfigurationXml
public EcfpParameters.Builder identifierConfigurationXml(String identifierConfigurationXml)
Set identifier configuration XML to use for custom typizer. Do not forget to setEcfpAtomTypizers.CUSTOMXML
withatomTypizer(com.chemaxon.descriptors.fingerprints.ecfp.EcfpAtomTypizers)
.- Parameters:
identifierConfigurationXml
- Identifier configuration XML.- Returns:
- Reference to this builder.
-
build
public EcfpParameters build()
Description copied from interface:ParameterBuilder
Constructs an immutable instance of T.- Specified by:
build
in interfaceParameterBuilder<EcfpParameters>
- Returns:
- An immutable instance of T
-
-