IMP::gsl::Simplex Class Reference

A simplex optimizer taken from GSL. More...

#include <IMP/gsl/Simplex.h>

Inheritance diagram for IMP::gsl::Simplex:

Public Member Functions
	Simplex (kernel::Model *m)
	Simplex ()
virtual Float	do_optimize (unsigned int max_steps)
virtual std::string	get_type_name () const
virtual ::IMP::base::VersionInfo	get_version_info () const
Public Member Functions inherited from IMP::gsl::GSLOptimizer
	GSLOptimizer (kernel::Model *m)
void	set_stop_score (double d)
	Stop the optimization if the score falls below this value.

Parameters
The parameters are: minumum_size: the optimization stops when the size of the simplex falls below this. The size is defined as the average distance from the centroid to the simplex vertices. (Default 0.1) initial_length: the length of the initial sizes of the simplex. Make sure that this covers the optimal solution, given the starting configuration. (Default 1) Note Both quantities are relative to rescaled attribues and so should be numbers between 0 and 1.
void	set_initial_length (double length)
void	set_minimum_size (double d)

Detailed Description

Simplex works by modifying a simplex in the space of the optimized attributes. The algorithm may not behave well when using score states, such as those involved in rigid bodies, which significantly change the values of the attributes. Then, again, it may work just fine. But be aware that it is not understood.

The main advantage of Simplex is that it is a local optimizer that does not require derivatives.

Definition at line 27 of file Simplex.h.

Constructor & Destructor Documentation

IMP::gsl::Simplex::Simplex

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Deprecated:

As of IMP release 2.1. See the IMP Deprecation Policy for more information about deprecation in IMP. Pass a model to the constructor.

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The documentation for this class was generated from the following file:

• Simplex.h