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joelib.desc.types
Class LogP  view LogP download LogP.java

java.lang.Object
  extended byjoelib.desc.SimpleDoubleDesc
      extended byjoelib.desc.types.LogP
All Implemented Interfaces:
joelib.desc.Descriptor, joelib.util.PropertyAcceptor

public class LogP
extends joelib.desc.SimpleDoubleDesc

Calculates the Octanol/Water partition coefficient (logP) or hydrophobicity.


Field Summary
static java.lang.String DESC_KEY
           
private static org.apache.log4j.Category logger
          Obtain a suitable logger.
 
Fields inherited from class joelib.desc.SimpleDoubleDesc
descInfo
 
Constructor Summary
LogP()
           
 
Method Summary
 double getDoubleValue(joelib.molecule.JOEMol mol)
          Gets the defaultAtoms attribute of the NumberOfC object
 
Methods inherited from class joelib.desc.SimpleDoubleDesc
acceptedProperties, calculate, calculate, calculate, calculate, clear, getDescInfo, getDescription, initialize, testDescriptor
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

logger

private static org.apache.log4j.Category logger
Obtain a suitable logger.


DESC_KEY

public static final java.lang.String DESC_KEY
See Also:
Constant Field Values
Constructor Detail

LogP

public LogP()
Method Detail

getDoubleValue

public double getDoubleValue(joelib.molecule.JOEMol mol)
Gets the defaultAtoms attribute of the NumberOfC object