JOELib
Computational Chemistry Package

joelib.desc.types
Class KierShape3

java.lang.Object
  extended byjoelib.desc.SimpleDoubleDesc
      extended byjoelib.desc.types.KierShape3
All Implemented Interfaces:
Descriptor, PropertyAcceptor

public class KierShape3
extends SimpleDoubleDesc

Calculates the Kier Shape for paths with length three.

Author:
Jan BrueckerJörg Kurt Wegner (wegnerj at informatik.uni-tuebingen.de) at the Department of Cognitive Systems
CVS Version:
Revision: 1.10Date: 2004/07/25 20:43:14source code (CVS head)
License:
Licensed under the terms of the GNU General Public License (GPL).

Field Summary
static String DESC_KEY
           
 
Fields inherited from class joelib.desc.SimpleDoubleDesc
descInfo
 
Constructor Summary
KierShape3()
          Constructor for the KierShape3 object
 
Method Summary
 double getDoubleValue(JOEMol mol)
          Gets the doubleValue attribute of the KierShape3 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

KierShape3

public KierShape3()
Constructor for the KierShape3 object

Method Detail

getDoubleValue

public double getDoubleValue(JOEMol mol)
Gets the doubleValue attribute of the KierShape3 object

Specified by:
getDoubleValue in class SimpleDoubleDesc
Parameters:
mol - Description of the Parameter
Returns:
The doubleValue value

JOELib
Computational Chemistry Package

Comments and Questions? mail to J.K.Wegner