JOELib
Computational Chemistry Package

joelib.desc.types
Class LogP

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

public class LogP
extends SimpleDoubleDesc

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

Author:
Jörg Kurt Wegner (wegnerj at informatik.uni-tuebingen.de) at the Department of Cognitive Systems
CVS Version:
Revision: 1.8Date: 2004/07/25 20:43:14source code (CVS head)
License:
Licensed under the terms of the GNU General Public License (GPL).
References:
  1. wc99

Field Summary
static String DESC_KEY
           
 
Fields inherited from class joelib.desc.SimpleDoubleDesc
descInfo
 
Constructor Summary
LogP()
           
 
Method Summary
 double getDoubleValue(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
equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

DESC_KEY

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

LogP

public LogP()
Method Detail

getDoubleValue

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

Specified by:
getDoubleValue in class SimpleDoubleDesc
Returns:
The defaultAtoms value

JOELib
Computational Chemistry Package

Comments and Questions? mail to J.K.Wegner