Rosetta 3.4
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core::scoring::ScoreFunctionInfo Class Reference

Info on the scorefunction settings. More...

#include <ScoreFunctionInfo.hh>

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List of all members.

Public Member Functions

 ScoreFunctionInfo ()
 default constructor -- fill this in
 ScoreFunctionInfo (ScoreFunctionInfo const &src)
 ~ScoreFunctionInfo ()
 ScoreFunctionInfo (ScoreFunction const &scorefxn)
 copy constructor -- fill this in
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
EnergyMap const & scores_present () const
Distance max_atomic_interaction_distance () const
Distance max_context_neighbor_cutoff () const
bool requires_context_graph (ContextGraphType cgt) const

Friends

bool operator== (ScoreFunctionInfo const &a, ScoreFunctionInfo const &b)
 comparison -- fill this in
bool operator!= (ScoreFunctionInfo const &a, ScoreFunctionInfo const &b)
 comparison -- fill this in

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 ( )
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 core::scoring::ContextGraphFactory::create_context_graph(), core::scoring::ScoreFunction::energy_method_options(), core::scoring::ScoreFunction::has_zero_weight(), core::scoring::ScoreFunction::indicate_required_context_graphs(), core::scoring::ScoreFunction::max_atomic_interaction_cutoff(), core::scoring::n_score_types, and core::scoring::num_context_graph_types.

Referenced by ScoreFunctionInfo().

Distance core::scoring::ScoreFunctionInfo::max_atomic_interaction_distance ( ) const [inline]
Distance core::scoring::ScoreFunctionInfo::max_context_neighbor_cutoff ( ) const [inline]
bool core::scoring::ScoreFunctionInfo::requires_context_graph ( ContextGraphType  cgt) const
EnergyMap const& core::scoring::ScoreFunctionInfo::scores_present ( ) const [inline]

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


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