/** * \file MapScorer \brief A class for fast cc scoring of docking models * * Copyright 2007-2013 IMP Inventors. All rights reserved. * */ #ifndef IMP_MAP_SCORER_H #define IMP_MAP_SCORER_H #include #include #include #include class MapScorer { public: MapScorer(IMP::Particles& rec_particles, IMP::Particles& lig_particles, const IMP::em::DensityMap& map); MapScorer(IMP::Particles& particles, const IMP::em::DensityMap& map); float score(const IMP::algebra::Transformation3D& rec_trans, const IMP::algebra::Transformation3D& lig_trans) const; float score(const IMP::algebra::Transformation3D& map_trans) const; private: IMP::em::DensityMap* get_transformed( const IMP::algebra::Transformation3D& rec_trans, const IMP::algebra::Transformation3D& lig_trans) const; IMP::em::DensityMap* get_transformed( const IMP::algebra::Transformation3D& trans) const; private: const IMP::em::DensityMap& complex_map_; IMP::em::SampledDensityMap *receptor_map_, *ligand_map_, *docked_complex_map_; }; #endif /* IMP_MAP_SCORER_H */