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joelib.desc.types
Class PolarSurfaceArea  

java.lang.Object
  joelib.desc.SimpleDoubleDesc
      joelib.desc.types.PolarSurfaceArea

All Implemented Interfaces:

joelib.desc.Descriptor, joelib.util.PropertyAcceptor

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public class PolarSurfaceArea

extends joelib.desc.SimpleDoubleDesc

Calculates the polar surface area (PSA).

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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

PolarSurfaceArea()

 

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.

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DESC_KEY

public static final java.lang.String DESC_KEY

See Also:

Constant Field Values

Constructor Detail

PolarSurfaceArea

public PolarSurfaceArea()

Method Detail

getDoubleValue

public double getDoubleValue(joelib.molecule.JOEMol mol)

Gets the defaultAtoms attribute of the NumberOfC object

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SUMMARY:  JAVADOC |  SOURCE |  DOWNLOAD | NESTED | FIELD | CONSTR | METHOD	DETAIL: FIELD | CONSTR | METHOD

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