core::scoring::ScoreFunctionInfo Class Reference

Info on the scorefunction settings. More...

#include <ScoreFunctionInfo.hh>

Public Member Functions
	ScoreFunctionInfo ()
	default constructor – fill this in More...
	ScoreFunctionInfo (ScoreFunctionInfo const &src)
virtual	~ScoreFunctionInfo ()
	ScoreFunctionInfo (ScoreFunction const &scorefxn)
	copy constructor – fill this in More...
void	initialize_from (ScoreFunction const &scorefxn)
	initializes three peices of data that describe the score function, the atomic interaction distance, the context neighbor distance, and the context graphs required by the scoring function to be properly evaluated More...
EnergyMap const &	scores_present () const
Distance	max_atomic_interaction_distance () const
Distance	max_context_neighbor_cutoff () const
bool	requires_context_graph (ContextGraphType cgt) const

Private Member Functions
ScoreFunctionInfo const &	operator= (ScoreFunctionInfo const &rhs)

Private Attributes
Distance	max_atomic_interaction_distance_
Distance	max_context_neighbor_cutoff_
utility::vector1< bool >	context_graphs_required_
EnergyMap	scores_present_
methods::EnergyMethodOptionsOP	energy_method_options_

Friends
bool	operator== (ScoreFunctionInfo const &a, ScoreFunctionInfo const &b)
	comparison – fill this in More...
bool	operator!= (ScoreFunctionInfo const &a, ScoreFunctionInfo const &b)
	comparison – fill this in More...

Detailed Description

Info on the scorefunction settings.

This object is handed to the pose's Energies object and stored along with the cached energies. It is used in the next scoring evaluation to decide whether it's safe to reuse cached energies.

It must describe the kinds of context that the Energies object provides to the scoring function. If any scoring function requires a tenA neighbor graph, then that information is stored here. If a scoring function requires a different kind of neighborness graph (think centroid mode), then this class will indicate the kind of storage.

Finally, it must describe the maximum atom-to-atom distance cutoff that characterizes the energy function.

So all we need is a constructor and an operator==

Constructor & Destructor Documentation

core::scoring::ScoreFunctionInfo::ScoreFunctionInfo

(

)

default constructor – fill this in

core::scoring::ScoreFunctionInfo::ScoreFunctionInfo

(

ScoreFunctionInfo const &

src

)

Make sure to make a copy of the EMOpts, instead of just copying the pointer; we don't want SFIs to share pointers to the same objects or the object could change underneath the SFI.

core::scoring::ScoreFunctionInfo::~ScoreFunctionInfo ( )

virtual

core::scoring::ScoreFunctionInfo::ScoreFunctionInfo

(

ScoreFunction const &

scorefxn

)

copy constructor – fill this in

References initialize_from().

Member Function Documentation

void core::scoring::ScoreFunctionInfo::initialize_from

(

ScoreFunction const &

scorefxn

)

initializes three peices of data that describe the score function, the atomic interaction distance, the context neighbor distance, and the context graphs required by the scoring function to be properly evaluated

now also including the EnergyMethodOptions object, which holds eg the etable name and (currently) the reference energy aa-weights

References context_graphs_required_, core::scoring::ContextGraphFactory::create_context_graph(), core::scoring::ScoreFunction::energy_method_options(), energy_method_options_, core::scoring::ScoreFunction::has_zero_weight(), core::scoring::ScoreFunction::indicate_required_context_graphs(), core::scoring::ScoreFunction::max_atomic_interaction_cutoff(), max_atomic_interaction_distance_, max_context_neighbor_cutoff_, core::scoring::n_score_types, core::scoring::num_context_graph_types, and scores_present_.

Referenced by ScoreFunctionInfo().

Distance core::scoring::ScoreFunctionInfo::max_atomic_interaction_distance ( ) const

inline

References max_atomic_interaction_distance_.

Referenced by core::scoring::symmetry::SymmetricEnergies::fill_point_graph(), and core::scoring::solid_surface::SurfaceEnergies::fill_point_graph().

Distance core::scoring::ScoreFunctionInfo::max_context_neighbor_cutoff ( ) const

inline

References max_context_neighbor_cutoff_.

ScoreFunctionInfo const& core::scoring::ScoreFunctionInfo::operator= ( ScoreFunctionInfo const &  rhs )

private

bool core::scoring::ScoreFunctionInfo::requires_context_graph

(

ContextGraphType

cgt

)

const

References context_graphs_required_.

EnergyMap const& core::scoring::ScoreFunctionInfo::scores_present ( ) const

inline

References scores_present_.

Referenced by core::scoring::operator<<().

Friends And Related Function Documentation

bool operator!= ( ScoreFunctionInfo const &  a, ScoreFunctionInfo const &  b  )

friend

comparison – fill this in

bool operator== ( ScoreFunctionInfo const &  a, ScoreFunctionInfo const &  b  )

friend

comparison – fill this in

Member Data Documentation

utility::vector1< bool > core::scoring::ScoreFunctionInfo::context_graphs_required_

private

Referenced by initialize_from(), core::scoring::operator==(), and requires_context_graph().

methods::EnergyMethodOptionsOP core::scoring::ScoreFunctionInfo::energy_method_options_

private

Referenced by initialize_from(), and core::scoring::operator==().

Distance core::scoring::ScoreFunctionInfo::max_atomic_interaction_distance_

private

Referenced by initialize_from(), max_atomic_interaction_distance(), and core::scoring::operator==().

Distance core::scoring::ScoreFunctionInfo::max_context_neighbor_cutoff_

private

Referenced by initialize_from(), max_context_neighbor_cutoff(), and core::scoring::operator==().

EnergyMap core::scoring::ScoreFunctionInfo::scores_present_

private

Referenced by initialize_from(), core::scoring::operator==(), and scores_present().

---

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

• src/core/scoring/ScoreFunctionInfo.hh
• src/core/scoring/ScoreFunctionInfo.cc