container_types.h

//C Copyright (C) 2000-2006 Kevin Cowtan and University of York
//L
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//L  and conditions of version 2.1 of the GNU Lesser General Public
//L  Licence (LGPL) with the following additional clause:
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#ifndef CLIPPER_CONTAINER_TYPES
#define CLIPPER_CONTAINER_TYPES


#include "container.h"


namespace clipper
{

  extern const Resolution NullResolution;  //<! null instance
  extern const Spacegroup NullSpacegroup;  //<! null instance
  extern const Cell NullCell;  //<! null instance
  extern const Grid_sampling NullGrid_sampling;  //<! null instance



  class CResolution : public Container, public Resolution
  {
  public:
    CResolution( const String name = "", 
                 const Resolution& resol = NullResolution ) :
      Container( name ), Resolution( resol ) {}
    CResolution( Container& parent, const String name = "", 
                 const Resolution& resol = NullResolution ) :
      Container( parent, name ), Resolution( resol ) {}
    void init( const Resolution& resolution_ );
  };



  class CSpacegroup : public Container, public Spacegroup
  {
  public:
    CSpacegroup( const String name = "", 
                 const Spacegroup& spgr = NullSpacegroup ) :
      Container( name ), Spacegroup( spgr ) {}
    CSpacegroup( Container& parent, const String name = "", 
                 const Spacegroup& spgr = NullSpacegroup ) :
      Container( parent, name ), Spacegroup( spgr ) {}
    void init( const Spacegroup& spacegroup_ );
  };



  class CCell : public Container, public Cell
  {
  public:
    CCell( const String name = "", 
           const Cell& cell = NullCell ) :
      Container( name ), Cell( cell ) {}
    CCell( Container& parent, const String name = "", 
           const Cell& cell = NullCell ) :
      Container( parent, name ), Cell( cell ) {}
    void init( const Cell& cell_ );
  };



  class CGrid_sampling : public Container, public Grid_sampling
  {
  public:
    CGrid_sampling( const String name = "", 
                    const Grid_sampling& grid = NullGrid_sampling );
    CGrid_sampling( Container& parent, const String name = "", 
                    const ftype rate = 1.5 );
    CGrid_sampling( Container& parent, const String name, 
                    const Grid_sampling& grid );
    void init( const Spacegroup& spacegroup, const Cell& cell,
               const Resolution& resolution, const ftype rate );
    void init( const Grid_sampling& grid_sampling_ );
    void update();
  private:
    ftype rate_;  
  };


} // namespace clipper

#endif