IMP
2.2.0
The Integrative Modeling Platform
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A simplex optimizer taken from GSL. More...
#include <IMP/gsl/Simplex.h>
Public Member Functions | |
Simplex (kernel::Model *m) | |
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. | |
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.