Rosetta 3.4
Public Types | Public Member Functions | Protected Member Functions
core::optimization::Multifunc Class Reference

Multifunction interface class. More...

#include <Multifunc.hh>

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List of all members.

Public Types

typedef
utility::pointer::ReferenceCount 
parent

Public Member Functions

virtual ~Multifunc ()
 Destructor.
virtual Real operator() (Multivec const &phipsi) const =0
virtual void dfunc (Multivec const &phipsi, Multivec &dE_dphipsi) const =0
virtual bool abort_min (Multivec const &) 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!
virtual void dump (Multivec const &, Multivec const &) const
 Error state reached -- derivative does not match gradient Derived classes have the oportunity to now output and or analyze the two vars assignments vars, vars+delta where the derivatives are incorrect.

Protected Member Functions

 Multifunc ()
 Default constructor.
 Multifunc (Multifunc const &)
 Copy constructor.
Multifunc const & operator= (Multifunc const &)
 Copy assignment.

Detailed Description

Multifunction interface class.


Member Typedef Documentation


Constructor & Destructor Documentation

core::optimization::Multifunc::Multifunc ( ) [inline, protected]

Default constructor.

core::optimization::Multifunc::Multifunc ( Multifunc const &  ) [inline, protected]

Copy constructor.

virtual core::optimization::Multifunc::~Multifunc ( ) [inline, virtual]

Destructor.


Member Function Documentation

virtual bool core::optimization::Multifunc::abort_min ( Multivec const &  ) const [inline, 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 in core::pack::scmin::SCMinMultifunc, protocols::scoring::methods::pcs2::TensorsOptimizer, and protocols::scoring::methods::pcs2::TensorsOptimizerSvd.

virtual void core::optimization::Multifunc::dfunc ( Multivec const &  phipsi,
Multivec dE_dphipsi 
) const [pure virtual]
virtual void core::optimization::Multifunc::dump ( Multivec const &  ,
Multivec const &   
) const [inline, virtual]

Error state reached -- derivative does not match gradient Derived classes have the oportunity to now output and or analyze the two vars assignments vars, vars+delta where the derivatives are incorrect.

Reimplemented in core::optimization::AtomTreeMultifunc, core::optimization::CartesianMultifunc, core::optimization::symmetry::SymAtomTreeMultifunc, and protocols::qsar::qsarOptFunc.

virtual Real core::optimization::Multifunc::operator() ( Multivec const &  phipsi) const [pure virtual]
Multifunc const& core::optimization::Multifunc::operator= ( Multifunc const &  ) [inline, protected]

Copy assignment.


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