Package ffx.numerics.optimization

Interface OptimizationListener

All Known Implementing Classes:

CrystalMinimize, Minimize, MinimizeOpenMM, PhMinimize, RefinementMinimize, ScaleBulkMinimize, SigmaAMinimize, SplineMinimize

public interface OptimizationListener

This interface allows the optimizer to notify registered instances of successful steps. Currently only one listener is supported.

Since:

1.0

Author:

Michael J. Schnieders

Method Summary

Modifier and Type	Method	Description
boolean	optimizationUpdate(int iter, int nBFGS, int nFunctionEvals, double gradientRMS, double coordinateRMS, double f, double df, double angle, LineSearch.LineSearchResult info)	This method is called by the optimizer after each step.

Method Details

optimizationUpdate

boolean optimizationUpdate(int iter,
 int nBFGS,
 int nFunctionEvals,
 double gradientRMS,
 double coordinateRMS,
 double f,
 double df,
 double angle,
 LineSearch.LineSearchResult info)

This method is called by the optimizer after each step.

It can be used to log status messages, update the user interface, or gracefully terminate the optimizer.

Parameters:

iter - Number of iterations.

nBFGS - Number of L-BFGS correction vectors.

nFunctionEvals - Number of function evaluations.

gradientRMS - RMS gradient at current solution.

coordinateRMS - RMS coordinate change at current solution.

f - Function value at current solution.

df - Change in the function value compared to the previous solution.

angle - Current angle between gradient and search direction.

info - Result of the line search (null at iteration == 0).

Returns:

A return value of false will terminate the optimization.

Since:

1.0