8 #ifndef IMPCORE_CLOSE_PAIRS_PAIR_SCORE_H
9 #define IMPCORE_CLOSE_PAIRS_PAIR_SCORE_H
11 #include <IMP/core/core_config.h>
19 #include <IMP/internal/container_helpers.h>
21 IMPCORE_BEGIN_NAMESPACE
34 mutable double last_distance_;
45 return IMP::internal::get_particle(
90 return IMP::internal::get_particle(
110 IMPCORE_END_NAMESPACE
Abstract class for scoring object(s) of type ParticleIndexPair.
Apply a score to a fixed number of close pairs from the two sets.
#define IMP_PAIR_SCORE_METHODS(Name)
Apply the score to all pairs whose spheres are within a distance threshold.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Single variable function.
Class for storing model, its restraints, constraints, and particles.
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
Refine a particle into a list of particles.
A smart pointer to a ref-counted Object that is a class member.
virtual ModelObjectsTemp do_get_inputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the inputs.
A nullptr-initialized pointer to an IMP Object.
Handle rigid bodies by looking at their members.
double Float
Basic floating-point value (could be float, double...)
Abstract class to implement hierarchical methods.
Restraints create_current_decomposition(Model *m, const ParticleIndexPair &vt) const
virtual double evaluate_if_good_index(Model *m, const ParticleIndexPair &vt, DerivativeAccumulator *da, double max) const
Compute the score and the derivative if needed, only if "good".
Decorator for a sphere-like particle.
virtual double evaluate_index(Model *m, const ParticleIndexPair &vt, DerivativeAccumulator *da) const =0
Compute the score and the derivative if needed.
#define IMP_OVERRIDE
Cause a compile error if this method does not override a parent method.
Class for adding derivatives from restraints to the model.