9 #ifndef IMPKERNEL_SCORING_FUNCTION_H
10 #define IMPKERNEL_SCORING_FUNCTION_H
12 #include <IMP/kernel_config.h>
22 IMPKERNEL_BEGIN_NAMESPACE
44 typedef std::pair<double, bool> ScoreIsGoodPair;
69 double evaluate_if_good(
bool derivatives);
77 double evaluate(
bool derivatives);
79 double evaluate_if_below(
bool derivatives,
double max);
103 #if !defined(SWIG) && !defined(IMP_DOXYGEN)
129 #if !defined(SWIG) && !defined(IMP_DOXYGEN)
144 std::ostream &out = std::cout);
146 IMPKERNEL_END_NAMESPACE
IMP::Vector< IMP::Pointer< ScoringFunction > > ScoringFunctions
const double NO_MAX
Use this value when you want to turn off maximum for restraint evaluation.
virtual ModelObjectsTemp do_get_outputs() const
A more IMP-like version of the std::vector.
ScoringFunctions create_decomposition(ScoringFunction *sf)
IMP::Vector< IMP::WeakPointer< ModelObject > > ModelObjectsTemp
Class for storing model, its restraints, constraints, and particles.
A smart pointer to a ref-counted Object that is a class member.
Class for adding up scores during ScoringFunction evaluation.
double get_last_score() const
returns the score that was calculated in the last evaluate call
Single variable function.
A nullptr-initialized pointer to an IMP Object.
Represents a scoring function on the model.
void show_restraint_hierarchy(ScoringFunctionAdaptor rs, std::ostream &out=std::cout)
Print the hierarchy of restraints.
Restraints create_restraints(RMF::FileConstHandle fh, Model *m)
Abstract base class for all restraints.
Build dependency graphs on models.
#define IMP_OVERRIDE
Cause a compile error if this method does not override a parent method.
bool get_had_good_score() const
A restraint is a term in an IMP ScoringFunction.