GenericAttributeSingletonScore.h

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/**
 *  \file IMP/core/GenericAttributeSingletonScore.h
 *  \brief A score based on the unmodified value of an attribute.
 *
 *  Copyright 2007-2022 IMP Inventors. All rights reserved.
 */

#ifndef IMPCORE_GENERIC_ATTRIBUTE_SINGLETON_SCORE_H
#define IMPCORE_GENERIC_ATTRIBUTE_SINGLETON_SCORE_H

#include <IMP/core/core_config.h>
#include <IMP/generic.h>
#include <IMP/SingletonScore.h>
#include <IMP/Pointer.h>
#include <IMP/UnaryFunction.h>
#include <IMP/singleton_macros.h>

IMPCORE_BEGIN_NAMESPACE

//! Apply a function to an attribute.
/** This Score scores a particle by passing an attribute value directly
    to a unary function.*/
template <class UF>
class GenericAttributeSingletonScore : public SingletonScore {
  IMP::PointerMember<UF> f_;
  FloatKey k_;

 public:
  //! Apply function f to attribute k
  GenericAttributeSingletonScore(UF *f, FloatKey k);
  virtual double evaluate_index(Model *m, ParticleIndex p,
                                DerivativeAccumulator *da) const override;
  virtual ModelObjectsTemp do_get_inputs(
      Model *m, const ParticleIndexes &pis) const override {
    return IMP::get_particles(m, pis);
  }
  //! get access to the unary function object used for scoring the attribute
  UF* get_unary_function() {return f_;};
  IMP_SINGLETON_SCORE_METHODS(GenericAttributeSingletonScore);
  IMP_OBJECT_METHODS(GenericAttributeSingletonScore);
  ;
};
#if !defined(SWIG) && !defined(IMP_DOXYGEN)
template <class UF>
inline GenericAttributeSingletonScore<UF>::GenericAttributeSingletonScore(
    UF *f, FloatKey k)
    : f_(f), k_(k) {}
template <class UF>
inline Float GenericAttributeSingletonScore<UF>::evaluate_index(
    Model *m, ParticleIndex pi,
    DerivativeAccumulator *da) const {
  if (da) {
    Float v, d;
    boost::tie(v, d) =
        f_->UF::evaluate_with_derivative(m->get_attribute(k_, pi));
    m->add_to_derivative(k_, pi, d, *da);
    return v;
  } else {
    return f_->UF::evaluate(m->get_attribute(k_, pi));
  }
}
#endif

/** For Python users. C++ users should use create_attribute_singleton_score().*/
typedef GenericAttributeSingletonScore<UnaryFunction> AttributeSingletonScore;

/** Provide a compile time binding version of AttributeSingletonScore,
    which runs faster than the runtime bound version. UF should be a subclass of
    UnaryFunction (and not pointer to a generic UnaryFunction).*/
template <class UF>
inline GenericAttributeSingletonScore<UF> *create_generic_attribute_singleton_score(
    UF *uf, FloatKey k) {
  return new GenericAttributeSingletonScore<UF>(uf, k);
}
IMPCORE_END_NAMESPACE

#endif /* IMPCORE_GENERIC_ATTRIBUTE_SINGLETON_SCORE_H */