Rosetta 3.4
Public Types | Public Member Functions
protocols::optimize_weights::WrapperOptEMultifunc Class Reference

OptE mode multifunction class. More...

#include <OptEMultifunc.hh>

Inheritance diagram for protocols::optimize_weights::WrapperOptEMultifunc:
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List of all members.

Public Types

typedef core::scoring::ScoreTypes ScoreTypes
typedef core::scoring::EnergyMap EnergyMap
typedef core::Real Real
typedef core::Size Size

Public Member Functions

 WrapperOptEMultifunc (ScoreTypes const &free_score_list, Size free_count, ScoreTypes const &fixed_score_list, EnergyMap const &fixed_scores, OptEMultifuncOP optEfunc)
 ~WrapperOptEMultifunc ()
virtual Real operator() (Multivec const &vars) const
virtual void dfunc (Multivec const &vars, Multivec &dE_dvars) const
 OptE dfunc.
Size n_real_dofs () const
utility::vector1< Realderived_dofs (Multivec const &vars) const
void print_dofs (Multivec const &vars, std::ostream &ostr) const
numeric::expression_parser::VariableExpressionOP register_variable_expression (std::string varname)
void set_multifunc (OptEMultifuncOP multifunc)

Detailed Description

OptE mode multifunction class.

DANGER DANGER DANGER This class must never be allocated on the stack. Instead, it should be allocated (with "new") on the heap. This class hands an owning-pointer to itself to another class to create a call-back mechanism; this owning pointer will be invalid and result in stack corruption if this class is allocated on the stack.

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::optimize_weights::WrapperOptEMultifunc::WrapperOptEMultifunc ( ScoreTypes const &  free_score_list,
Size  free_count,
ScoreTypes const &  fixed_score_list,
EnergyMap const &  fixed_scores,
OptEMultifuncOP  optEfunc 
protocols::optimize_weights::WrapperOptEMultifunc::~WrapperOptEMultifunc ( )

Member Function Documentation

utility::vector1< Real > protocols::optimize_weights::WrapperOptEMultifunc::derived_dofs ( Multivec const &  vars) const

Referenced by dfunc(), and operator()().

void protocols::optimize_weights::WrapperOptEMultifunc::dfunc ( Multivec const &  vars,
Multivec dE_dvars 
) const [virtual]
Size protocols::optimize_weights::WrapperOptEMultifunc::n_real_dofs ( ) const
core::Real protocols::optimize_weights::WrapperOptEMultifunc::operator() ( Multivec const &  vars) const [virtual]
void protocols::optimize_weights::WrapperOptEMultifunc::print_dofs ( Multivec const &  vars,
std::ostream &  ostr 
) const
numeric::expression_parser::VariableExpressionOP protocols::optimize_weights::WrapperOptEMultifunc::register_variable_expression ( std::string  varname)
void protocols::optimize_weights::WrapperOptEMultifunc::set_multifunc ( OptEMultifuncOP  multifunc)

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