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

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

public class Autocorrelation
extends java.lang.Object
implements joelib.desc.Descriptor

Moreau-Broto autocorrelation.


Field Summary
private static joelib.util.JOEProperty[] ACCEPTED_PROPERTIES
           
static java.lang.String ATOM_PROPERTY
           
static java.lang.String DESC_KEY
           
private  joelib.desc.DescriptorInfo descInfo
           
private static org.apache.log4j.Category logger
          Obtain a suitable logger.
private  java.lang.String propertyName
           
 
Constructor Summary
Autocorrelation()
           
 
Method Summary
 joelib.util.JOEProperty[] acceptedProperties()
           
 joelib.desc.DescResult calculate(joelib.molecule.JOEMol mol)
          Description of the Method
 joelib.desc.DescResult calculate(joelib.molecule.JOEMol mol, joelib.desc.DescResult descResult)
          Description of the Method
 joelib.desc.DescResult calculate(joelib.molecule.JOEMol molOriginal, joelib.desc.DescResult descResult, java.util.Map properties)
          Description of the Method
 joelib.desc.DescResult calculate(joelib.molecule.JOEMol mol, java.util.Map properties)
          Description of the Method
 void clear()
          Description of the Method
 joelib.desc.DescriptorInfo getDescInfo()
          Description of the Method
 joelib.desc.DescDescription getDescription()
          Gets the description attribute of the Descriptor object
 boolean initialize(java.util.Map properties)
          Description of the Method
 boolean testDescriptor()
          Test the implementation of this descriptor.
 
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.


ATOM_PROPERTY

public static final java.lang.String ATOM_PROPERTY
See Also:
Constant Field Values

ACCEPTED_PROPERTIES

private static final joelib.util.JOEProperty[] ACCEPTED_PROPERTIES

DESC_KEY

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

descInfo

private joelib.desc.DescriptorInfo descInfo

propertyName

private java.lang.String propertyName
Constructor Detail

Autocorrelation

public Autocorrelation()
Method Detail

getDescInfo

public joelib.desc.DescriptorInfo getDescInfo()
Description of the Method

Specified by:
getDescInfo in interface joelib.desc.Descriptor

getDescription

public joelib.desc.DescDescription getDescription()
Gets the description attribute of the Descriptor object

Specified by:
getDescription in interface joelib.desc.Descriptor

acceptedProperties

public joelib.util.JOEProperty[] acceptedProperties()
Specified by:
acceptedProperties in interface joelib.util.PropertyAcceptor

calculate

public joelib.desc.DescResult calculate(joelib.molecule.JOEMol mol)
                                 throws joelib.desc.DescriptorException
Description of the Method

Specified by:
calculate in interface joelib.desc.Descriptor

calculate

public joelib.desc.DescResult calculate(joelib.molecule.JOEMol mol,
                                        java.util.Map properties)
                                 throws joelib.desc.DescriptorException
Description of the Method

Specified by:
calculate in interface joelib.desc.Descriptor

calculate

public joelib.desc.DescResult calculate(joelib.molecule.JOEMol mol,
                                        joelib.desc.DescResult descResult)
                                 throws joelib.desc.DescriptorException
Description of the Method

Specified by:
calculate in interface joelib.desc.Descriptor

calculate

public joelib.desc.DescResult calculate(joelib.molecule.JOEMol molOriginal,
                                        joelib.desc.DescResult descResult,
                                        java.util.Map properties)
                                 throws joelib.desc.DescriptorException
Description of the Method

Specified by:
calculate in interface joelib.desc.Descriptor

clear

public void clear()
Description of the Method

Specified by:
clear in interface joelib.desc.Descriptor

initialize

public boolean initialize(java.util.Map properties)
Description of the Method

Specified by:
initialize in interface joelib.desc.Descriptor

testDescriptor

public boolean testDescriptor()
Test the implementation of this descriptor.

Specified by:
testDescriptor in interface joelib.desc.Descriptor