Class DescriptorHandlerReactionFP
- java.lang.Object
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- com.actelion.research.chem.descriptor.AbstractDescriptorHandlerLongFP<Reaction>
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- com.actelion.research.chem.descriptor.DescriptorHandlerReactionFP
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- All Implemented Interfaces:
DescriptorHandler<long[],Reaction>
,ISimilarityCalculator<long[]>
public class DescriptorHandlerReactionFP extends AbstractDescriptorHandlerLongFP<Reaction>
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Field Summary
Fields Modifier and Type Field Description static java.lang.String
cVersion
static float
PERIPHERY_WEIGHT
static int
REACTION_CENTER_LONG_COUNT
static float
REACTION_CENTER_WEIGHT
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Fields inherited from class com.actelion.research.chem.descriptor.AbstractDescriptorHandlerLongFP
FAILED_OBJECT
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Fields inherited from interface com.actelion.research.chem.descriptor.DescriptorHandler
FAILED_BYTES, FAILED_STRING
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Constructor Summary
Constructors Constructor Description DescriptorHandlerReactionFP()
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description long[]
createDescriptor(Reaction rxn)
static DescriptorHandlerReactionFP
getDefaultInstance()
DescriptorInfo
getInfo()
float
getPeripherySimilarity(long[] o1, long[] o2)
float
getReactionCenterSimilarity(long[] o1, long[] o2)
float
getSimilarity(long[] o1, long[] o2)
static float
getSimilarityTanimoto(long[] index1, long[] index2, int i1, int i2)
DescriptorHandler<long[],Reaction>
getThreadSafeCopy()
java.lang.String
getVersion()
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Methods inherited from class com.actelion.research.chem.descriptor.AbstractDescriptorHandlerLongFP
calculationFailed, decode, decode, encode
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Field Detail
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cVersion
public static final java.lang.String cVersion
- See Also:
- Constant Field Values
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REACTION_CENTER_LONG_COUNT
public static final int REACTION_CENTER_LONG_COUNT
- See Also:
- Constant Field Values
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REACTION_CENTER_WEIGHT
public static final float REACTION_CENTER_WEIGHT
- See Also:
- Constant Field Values
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PERIPHERY_WEIGHT
public static final float PERIPHERY_WEIGHT
- See Also:
- Constant Field Values
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Method Detail
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getDefaultInstance
public static DescriptorHandlerReactionFP getDefaultInstance()
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getInfo
public DescriptorInfo getInfo()
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getVersion
public java.lang.String getVersion()
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createDescriptor
public long[] createDescriptor(Reaction rxn)
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getSimilarity
public float getSimilarity(long[] o1, long[] o2)
- Specified by:
getSimilarity
in interfaceISimilarityCalculator<long[]>
- Overrides:
getSimilarity
in classAbstractDescriptorHandlerLongFP<Reaction>
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getReactionCenterSimilarity
public float getReactionCenterSimilarity(long[] o1, long[] o2)
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getPeripherySimilarity
public float getPeripherySimilarity(long[] o1, long[] o2)
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getSimilarityTanimoto
public static float getSimilarityTanimoto(long[] index1, long[] index2, int i1, int i2)
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getThreadSafeCopy
public DescriptorHandler<long[],Reaction> getThreadSafeCopy()
- Returns:
- a deep copy for parallel computing.
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