/** * \file IMP/core/DerivativesFromRefined.h * \brief Accumulate the derivatives of the refined particles * * Copyright 2007-2013 IMP Inventors. All rights reserved. */ #ifndef IMPCORE_DERIVATIVES_FROM_REFINED_H #define IMPCORE_DERIVATIVES_FROM_REFINED_H #include #include "XYZ.h" #include #include #include #include IMPCORE_BEGIN_NAMESPACE //! Accumulate the derivatives of the refined particles. /** \see DerivativesToRefined \see CoverRefined \see CentroidOfRefinedSingletonModifer An example showing a how to use such a score state to maintain a cover of the atoms of a protein by a sphere per residue. \pythonexample{cover_particles} */ class IMPCOREEXPORT DerivativesFromRefined: public SingletonDerivativeModifier { IMP::OwnerPointer refiner_; FloatKeys ks_; public: //! Copy ks from the particles returned by r. DerivativesFromRefined(Refiner *r, FloatKeys ks = XYZ::get_xyz_keys()); IMP_INDEX_SINGLETON_DERIVATIVE_MODIFIER(DerivativesFromRefined); }; IMPCORE_END_NAMESPACE #endif /* IMPCORE_DERIVATIVES_FROM_REFINED_H */