Package _global.tri.oxidationstates.fitting

Class ParamOptimizer.ParameterState

java.lang.Object
_global.tri.oxidationstates.fitting.ParamOptimizer.ParameterState
All Implemented Interfaces:
matsci.engine.IContinuousFunctionState
Enclosing class:
ParamOptimizer
public class ParamOptimizer.ParameterState extends Object implements matsci.engine.IContinuousFunctionState
This represents a snapshot of the parameters at one point in the optimization algorithm

  • Method Details

    • numParameters

      public int numParameters()
      Specified by:
      numParameters in interface matsci.engine.IContinuousFunctionState

    • getUnboundedParameters

      public double[] getUnboundedParameters(double[] template)
      Specified by:
      getUnboundedParameters in interface matsci.engine.IContinuousFunctionState

    • getGradient

      public double[] getGradient(double[] template)
      Specified by:
      getGradient in interface matsci.engine.IContinuousFunctionState

    • setUnboundedParameters

      public matsci.engine.IContinuousFunctionState setUnboundedParameters(double[] parameters)
      Specified by:
      setUnboundedParameters in interface matsci.engine.IContinuousFunctionState

    • writeFile

      public void writeFile(String fileName)
      Write the current parameters to a text file
      Parameters:
      fileName - The name of the file to write

    • getValue

      public double getValue()
      Specified by:
      getValue in interface matsci.engine.IContinuousFunctionState

    • getRegularizer

      public double getRegularizer()
      Gets the regularization term, which is the regularization parameter times the sum of spreads
      Returns:
      the regularization term, which is the regularization parameter times the sum of spreads

    • getCalculator

      public LikelihoodCalculator getCalculator()
      Returns the likelihood calculator containing the current parameters
      Returns:
      the likelihood calculator containing the current parameters