CentroidOfRefined.h

Go to the documentation of this file.

/**
 *  \file IMP/core/CentroidOfRefined.h
 *  \brief Set the coordinates of the particle to be the centoid of the
 *  refined particles.
 *
 *  Copyright 2007-2014 IMP Inventors. All rights reserved.
 */

#ifndef IMPCORE_CENTROID_OF_REFINED_H
#define IMPCORE_CENTROID_OF_REFINED_H

#include <IMP/core/core_config.h>
#include "XYZ.h"
#include <IMP/Refiner.h>
#include <IMP/macros.h>
#include <IMP/base/Pointer.h>
#include <IMP/Decorator.h>
#include <IMP/SingletonModifier.h>
#include "DerivativesToRefined.h"

IMPCORE_BEGIN_NAMESPACE

//! Set the coordinates of the particle to be the centoid of the particles.
/** An exception is thrown if there are no refined particles. The weight
    FloatKey can be FloatKey and then all the weights will be equal.

    \see CoverRefined
    \see DerivativesToRefined
    \see DerivativesFromRefined
 */
class IMPCOREEXPORT CentroidOfRefined : public SingletonModifier {
  IMP::base::PointerMember<Refiner> refiner_;
  FloatKeys ks_;
  FloatKey w_;

 public:
  //! Set the keys ks to be the average of the refined particles.
  CentroidOfRefined(Refiner *r, FloatKey weight = FloatKey(),
                    FloatKeys ks = XYZ::get_xyz_keys());
  virtual void apply_index(kernel::Model *m, kernel::ParticleIndex a) const
      IMP_OVERRIDE;
  virtual kernel::ModelObjectsTemp do_get_inputs(
      kernel::Model *m, const kernel::ParticleIndexes &pis) const IMP_OVERRIDE;
  virtual kernel::ModelObjectsTemp do_get_outputs(
      kernel::Model *m, const kernel::ParticleIndexes &pis) const IMP_OVERRIDE;
  IMP_SINGLETON_MODIFIER_METHODS(CentroidOfRefined);
  IMP_OBJECT_METHODS(CentroidOfRefined);
};

//! A particle that is the centroid of other particles.
/** A decorator which constrains a particle to be the centroid of a
    set of other particles. The centroid is updated before model
    evaluation and its derivatives are copied to its children,
    using a constraint that is created at setup time.

    \usesconstraint
*/
IMP_SUMMARIZE_DECORATOR_DECL(Centroid, XYZ, XYZs,
                             Centroid is computed before each evaluation);

IMPCORE_END_NAMESPACE

#endif /* IMPCORE_CENTROID_OF_REFINED_H */