org.jscience.chemistry.quantum
Class SCFMethodFactory

java.lang.Object
  extended by org.jscience.chemistry.quantum.SCFMethodFactory

public class SCFMethodFactory
extends java.lang.Object

Factory of SCF methods.
Follows a singleton pattern.


Method Summary
static SCFMethodFactory getInstance()
          Get an instance (and the only one) of SCFMethodFactory
 SCFMethod getSCFMethod(Molecule molecule, OneElectronIntegrals oneEI, TwoElectronIntegrals twoEI, SCFType type)
          Return an appropriate class appropriate SCFType
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Method Detail

getInstance

public static SCFMethodFactory getInstance()
Get an instance (and the only one) of SCFMethodFactory

Returns:
SCFMethodFactory instance

getSCFMethod

public SCFMethod getSCFMethod(Molecule molecule,
                              OneElectronIntegrals oneEI,
                              TwoElectronIntegrals twoEI,
                              SCFType type)
Return an appropriate class appropriate SCFType

Parameters:
molecule - the molecule for which calculations are to be performed
oneEI - 1E integrals for this molecule at appropriate basis
twoEI - 2E integrals for this molecule at appropriate basis
type - the SCFType instance
Returns:
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Throws:
java.lang.UnsupportedOperationException - DOCUMENT ME!