/*!  \file edcalc.h
  Header file for sample Electron density calculation impelementation
  \ingroup g_edcalc
*/
//C Copyright (C) 2000-2006 Kevin Cowtan and University of York
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#ifndef CLIPPER_EDCALC
#define CLIPPER_EDCALC


#include "function_object_bases.h"


namespace clipper {


  //! Atom mask calculation
  /*! \ingroup g_edcalc
    All points within the specified radius of an atom will be set to
    1.0, all others will be set to 0.0. */
  template<class T> class EDcalc_mask : public EDcalc_base<T> {
  public:
    EDcalc_mask( const ftype radius = 2.5 ) : radius_(radius) {}
    bool operator() ( Xmap<T>& xmap, const Atom_list& atoms ) const;
    bool operator() ( NXmap<T>& nxmap, const Atom_list& atoms ) const;
  private:
    const ftype radius_;
  };


  //! Isotropic electron density calculation
  /*! \ingroup g_edcalc */
  template<class T> class EDcalc_iso : public EDcalc_base<T> {
  public:
    EDcalc_iso( const ftype radius = 2.5 ) : radius_(radius) {}
    bool operator() ( Xmap<T>& xmap, const Atom_list& atoms ) const;
    bool operator() ( NXmap<T>& nxmap, const Atom_list& atoms ) const;
  private:
    const ftype radius_;
  };


  //! Anisotropic electron density calculation
  /*! \ingroup g_edcalc */
  template<class T> class EDcalc_aniso : public EDcalc_base<T> {
  public:
    EDcalc_aniso( const ftype radius = 2.5 ) : radius_(radius) {}
    bool operator() ( Xmap<T>& xmap, const Atom_list& atoms ) const;
    bool operator() ( NXmap<T>& nxmap, const Atom_list& atoms ) const;
  private:
    const ftype radius_;
  };


} // namespace clipper

#endif
