Class CfpParameters
- java.lang.Object
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- com.chemaxon.descriptors.fingerprints.cfp.CfpParameters
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- 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:
- Serialized Form
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Nested Class Summary
Nested Classes Modifier and Type Class Description static class
CfpParameters.Builder
Builder class for the immutable parameter object.static interface
CfpParameters.ConstructCfpGenerator
Interface representing CFP generator constructor.
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Field Summary
Fields Modifier and Type Field Description 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.static boolean
DEFAULT_CONSIDER_RINGS
Default ring settings.
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Constructor Summary
Constructors Constructor Description CfpParameters()
Constructor using the default settings.
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description 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.boolean
getRings()
Return rings settings.String
toString()
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Field Detail
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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
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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
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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
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DEFAULT_CONSIDER_RINGS
public static final boolean DEFAULT_CONSIDER_RINGS
Default ring settings.- See Also:
- Constant Field Values
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Method Detail
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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 interfaceDescriptorParameters
- Returns:
- Associated generator
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createNewBuilder
public static CfpParameters.Builder createNewBuilder()
Construct a builder for this parameter class, initialized to default.- Returns:
- Builder initialized to default settings
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getBondCount
public int getBondCount()
Max pattern length considered (bond count).- Returns:
- Max pattern length considered (bond count).
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getBitsPerPattern
public int getBitsPerPattern()
Bits set for each pattern.- Returns:
- Bits set for each pattern.
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getLength
public int getLength()
Returns represented fingerprint length (bit count) setting.- Returns:
- Fingerprint length
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getRings
public boolean getRings()
Return rings settings.- Returns:
- Rings settings
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