predicates.h

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/**
 *  \file IMP/core/predicates.h
 *  \brief Score particles based on a bounding box
 *
 *  Copyright 2007-2013 IMP Inventors. All rights reserved.
 */

#ifndef IMPCORE_PREDICATES_H
#define IMPCORE_PREDICATES_H

#include <IMP/core/core_config.h>
#include <IMP/SingletonPredicate.h>
#include <IMP/singleton_macros.h>
#include "XYZ.h"

IMPCORE_BEGIN_NAMESPACE
/** Return 1 if the XYZ is in the bounding box, 0 otherwise.*/
class InBoundingBox3DSingletonPredicate: public SingletonPredicate {
  algebra::BoundingBox3D bb_;
 public:
  InBoundingBox3DSingletonPredicate(const algebra::BoundingBox3D &bb,
                                    std::string name
                                    ="InBoundingBox3DSingletonPredicate%1%"):
      SingletonPredicate(name), bb_(bb){}
  IMP_INDEX_SINGLETON_PREDICATE(InBoundingBox3DSingletonPredicate,
                                return bb_.get_contains(XYZ(m,pi)
                                                        .get_coordinates())?1:0;
                                ,{
      ModelObjectsTemp ret;
      ret+= IMP::get_particles(m, pi);
      return ret;
    });

};
/** Return the value of an int attribute as the predicate value.*/
class AttributeSingletonPredicate: public SingletonPredicate {
  IntKey bb_;
 public:
  AttributeSingletonPredicate(IntKey bb,
                              std::string name
                              ="AttributeSingletonPredicate%1%"):
      SingletonPredicate(name), bb_(bb){}
  IMP_INDEX_SINGLETON_PREDICATE(AttributeSingletonPredicate,
                                return m->get_attribute(bb_, pi) ,{
      ModelObjectsTemp ret;
      ret+= IMP::get_particles(m, pi);
      return ret;
    });
};

/** Use a predicate to determine which score to apply. One can use this to,
    for example,  truncate a score using a bounding box.*/
template <class Predicate, class Score=SingletonScore>
class PredicateSingletonScore: public SingletonScore {
  OwnerPointer<Predicate> pred_;
  base::Vector<OwnerPointer<Score> > scores_;
  int offset_;
  Score *get_score(int val) const {
    if (val < offset_ || val > scores_.size()+offset_) {
      return nullptr;
    } else {
      return scores_[val+offset_];
    }
  }
 public:
  PredicateSingletonScore(Predicate* pred,
                          std::string name="PredicateScore%1%"):
      SingletonScore(name), pred_(pred), offset_(0){}
  void set_singleton_score(int val, Score *score) {
    IMP_USAGE_CHECK(val>=offset_,
                    "Negative predicate values not supported yet");
    scores_.resize(std::max<int>(val+1, scores_.size()));
    scores_[val]=score;
  }
  IMP_INDEX_SINGLETON_SCORE(PredicateSingletonScore);
};

#if !defined(SWIG) && !defined(IMP_DOXYGEN)
template <class Predicate, class Score>
inline double PredicateSingletonScore<Predicate, Score>
::evaluate_index(Model *m, ParticleIndex p,
                 DerivativeAccumulator *da) const {
  int val= pred_->get_value(m,p);
  Score *s= get_score(val);
  if (s) {
    return s->Score::evaluate_index(m, p, da);
  } else {
    return 0;
  }
}
template <class Predicate, class Score>
inline void PredicateSingletonScore<Predicate, Score>
::do_show(std::ostream &) const {
}
#endif

/** Other overloads can be created as needed.*/
template <class Predicate, class Score>
inline PredicateSingletonScore<Predicate, Score>*
create_predicates_singleton_score(Predicate *pred,
                                  int val, Score *score) {
  Pointer<PredicateSingletonScore<Predicate, Score> > ret
      = new PredicateSingletonScore<Predicate, Score>(pred);
  ret->set_score(val, score);
  return ret;
}

IMPCORE_END_NAMESPACE

#endif  /* IMPCORE_PREDICATES_H */