Info on the scorefunction settings. More...

#include <ScoreFunctionInfo.hh>

Inheritance diagram for core::scoring::ScoreFunctionInfo:

Collaboration diagram for core::scoring::ScoreFunctionInfo:

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==

Definition at line 62 of file ScoreFunctionInfo.hh.

Constructor & Destructor Documentation

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

default constructor – fill this in

Definition at line 32 of file ScoreFunctionInfo.cc.

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.

Definition at line 42 of file ScoreFunctionInfo.cc.

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

virtual

Definition at line 51 of file ScoreFunctionInfo.cc.

core::scoring::ScoreFunctionInfo::ScoreFunctionInfo ( ScoreFunction const & scorefxn)

copy constructor – fill this in

Definition at line 53 of file ScoreFunctionInfo.cc.

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

Definition at line 68 of file ScoreFunctionInfo.cc.

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_.