Rosetta Core  2014.35
Public Types | Public Member Functions | Protected Member Functions | List of all members
core::optimization::Multifunc Class Referenceabstract

Multifunction interface class. More...

#include <Multifunc.hh>

Public Types

typedef
utility::pointer::ReferenceCount 
parent
 

Public Member Functions

virtual ~Multifunc ()
 Destructor. More...
 
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! More...
 
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. More...
 

Protected Member Functions

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

Detailed Description

Multifunction interface class.

Member Typedef Documentation

Constructor & Destructor Documentation

core::optimization::Multifunc::Multifunc ( )
inlineprotected

Default constructor.

core::optimization::Multifunc::Multifunc ( Multifunc const &  )
inlineprotected

Copy constructor.

virtual core::optimization::Multifunc::~Multifunc ( )
inlinevirtual

Destructor.

Member Function Documentation

virtual bool core::optimization::Multifunc::abort_min ( Multivec const &  ) const
inlinevirtual

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, and core::pack::scmin::CartSCMinMultifunc.

Referenced by core::optimization::Minimizer::dfpmin().

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
inlinevirtual

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::pack::scmin::SCMinMultifunc, core::pack::scmin::CartSCMinMultifunc, core::optimization::symmetry::SymAtomTreeMultifunc, core::optimization::AtomTreeMultifunc, and core::optimization::CartesianMultifunc.

virtual Real core::optimization::Multifunc::operator() ( Multivec const &  phipsi) const
pure virtual
Multifunc const& core::optimization::Multifunc::operator= ( Multifunc const &  )
inlineprotected

Copy assignment.


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