RigidBodyAnglePairScore.h

Go to the documentation of this file.

/**
 *  \file IMP/core/RigidBodyAnglePairScore.h
 *  \brief A Score on the crossing angle between two rigid bodies
 *
 *  Copyright 2007-2021 IMP Inventors. All rights reserved.
 */

#ifndef IMPCORE_RIGID_BODY_ANGLE_PAIR_SCORE_H
#define IMPCORE_RIGID_BODY_ANGLE_PAIR_SCORE_H

#include <IMP/core/core_config.h>

#include <IMP/PairScore.h>
#include <IMP/pair_macros.h>
#include <IMP/Pointer.h>
#include <IMP/UnaryFunction.h>

IMPCORE_BEGIN_NAMESPACE

//! Score on the crossing angle between two rigid bodies
class IMPCOREEXPORT RigidBodyAnglePairScore : public PairScore
{
  IMP::PointerMember<UnaryFunction> f_;
public:
  RigidBodyAnglePairScore(UnaryFunction *f);

  virtual double evaluate_index(Model *m,
                                const ParticleIndexPair &pi,
                                DerivativeAccumulator *da) const IMP_OVERRIDE;
  virtual ModelObjectsTemp do_get_inputs(
      Model *m, const ParticleIndexes &pis) const IMP_OVERRIDE;
  IMP_PAIR_SCORE_METHODS(RigidBodyAnglePairScore);
  IMP_OBJECT_METHODS(RigidBodyAnglePairScore);
};

IMPCORE_END_NAMESPACE

#endif  /* IMPCORE_RIGID_BODY_ANGLE_PAIR_SCORE_H */