Rosetta 3.4
Public Member Functions | Public Attributes
protocols::scoring::methods::pcs2::TensorsOptimizerSvd Class Reference

#include <TensorsOptimizerSvd.hh>

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List of all members.

Public Member Functions

 TensorsOptimizerSvd (PcsDataCenter &pcs_d_c)
virtual ~TensorsOptimizerSvd ()
virtual core::Real operator() (core::optimization::Multivec const &vars) const
core::Real func (core::optimization::Multivec const &vars) const
virtual void dfunc (core::optimization::Multivec const &vars, core::optimization::Multivec &dE_dvars) const
 OptE dfunc.
virtual bool abort_min (core::optimization::Multivec const &vars) const
 Christophe added the following to allow premature end of minimization If you want to abort the minimizer under specific circonstances overload this function and return true if you want to stop, false if you want to continue. FOR THE MOMENT, ONLY IN DFPMIN!
void dfunc_exact (core::optimization::Multivec const &vars, core::optimization::Multivec &dE_dvars) const
 exact derivative (fast)
void dfunc_numeric (core::optimization::Multivec const &vars, core::optimization::Multivec &dE_dvars) const
 numeric derivative (slow)

Public Attributes

PcsDataCenterpcs_d_c_

Constructor & Destructor Documentation

protocols::scoring::methods::pcs2::TensorsOptimizerSvd::TensorsOptimizerSvd ( PcsDataCenter pcs_d_c)
protocols::scoring::methods::pcs2::TensorsOptimizerSvd::~TensorsOptimizerSvd ( ) [virtual]

Member Function Documentation

bool protocols::scoring::methods::pcs2::TensorsOptimizerSvd::abort_min ( core::optimization::Multivec const &  ) const [virtual]

Christophe added the following to allow premature end of minimization If you want to abort the minimizer under specific circonstances overload this function and return true if you want to stop, false if you want to continue. FOR THE MOMENT, ONLY IN DFPMIN!

Reimplemented from core::optimization::Multifunc.

References protocols::scoring::methods::pcs2::PcsDataCenter::get_n_lanthanides(), and pcs_d_c_.

void protocols::scoring::methods::pcs2::TensorsOptimizerSvd::dfunc ( core::optimization::Multivec const &  vars,
core::optimization::Multivec dE_dvars 
) const [virtual]

OptE dfunc.

Implements core::optimization::Multifunc.

References dfunc_exact().

void protocols::scoring::methods::pcs2::TensorsOptimizerSvd::dfunc_exact ( core::optimization::Multivec const &  vars,
core::optimization::Multivec dE_dvars 
) const
void protocols::scoring::methods::pcs2::TensorsOptimizerSvd::dfunc_numeric ( core::optimization::Multivec const &  vars,
core::optimization::Multivec dE_dvars 
) const

numeric derivative (slow)

References func().

core::Real protocols::scoring::methods::pcs2::TensorsOptimizerSvd::func ( core::optimization::Multivec const &  vars) const
core::Real protocols::scoring::methods::pcs2::TensorsOptimizerSvd::operator() ( core::optimization::Multivec const &  vars) const [virtual]

Implements core::optimization::Multifunc.

References func().


Member Data Documentation

Referenced by abort_min(), dfunc_exact(), and func().


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