libclipper-dev 2.1+20100511-0ubuntu1 / usr / include / clipper / core / container_types.h

/*! \file lib/container_types.h
    Header file for Container versions of various objects
*/
//C Copyright (C) 2000-2006 Kevin Cowtan and University of York
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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


  //! Resolution container
  /*! CResolution: This has a name and a resolution.  It overrides the
    base resolution for any objects below it. */
  class CResolution : public Container, public Resolution
  {
  public:
    //! constructor: make null object or top object in tree
    CResolution( const String name = "", 
		 const Resolution& resol = NullResolution ) :
      Container( name ), Resolution( resol ) {}
    //! constructor: make child object
    CResolution( Container& parent, const String name = "", 
		 const Resolution& resol = NullResolution ) :
      Container( parent, name ), Resolution( resol ) {}
    //! initialiser: from Resolution
    void init( const Resolution& resolution_ );
  };


  //! Spacegroup container
  /*! CSpacegroup: This has a name and a spacegroup.  It overrides the
    base spacegroup for any objects below it. */
  class CSpacegroup : public Container, public Spacegroup
  {
  public:
    //! constructor: make null object or top object in tree
    CSpacegroup( const String name = "", 
		 const Spacegroup& spgr = NullSpacegroup ) :
      Container( name ), Spacegroup( spgr ) {}
    //! constructor: make child object
    CSpacegroup( Container& parent, const String name = "", 
		 const Spacegroup& spgr = NullSpacegroup ) :
      Container( parent, name ), Spacegroup( spgr ) {}
    //! initialiser: from Spacegroup
    void init( const Spacegroup& spacegroup_ );
  };


  //! CCell container
  /*! CCell: This has a name and a cell.  It overrides the base cell
    for any objects below it. */
  class CCell : public Container, public Cell
  {
  public:
    //! constructor: make null object or top object in tree
    CCell( const String name = "", 
	   const Cell& cell = NullCell ) :
      Container( name ), Cell( cell ) {}
    //! constructor: make child object
    CCell( Container& parent, const String name = "", 
	   const Cell& cell = NullCell ) :
      Container( parent, name ), Cell( cell ) {}
    //! initialiser: from Cell
    void init( const Cell& cell_ );
  };


  //! CGrid_sampling container
  /*! CGrid_sampling: This has a name and a grid sampling It overrides
    the grid sampling for any objects below it. */
  class CGrid_sampling : public Container, public Grid_sampling
  {
  public:
    //! constructor: make null object or top object in tree
    CGrid_sampling( const String name = "", 
		    const Grid_sampling& grid = NullGrid_sampling );
    //! constructor: make child object
    CGrid_sampling( Container& parent, const String name = "", 
		    const ftype rate = 1.5 );
    //! constructor: make child object with explicit value
    CGrid_sampling( Container& parent, const String name, 
		    const Grid_sampling& grid );
    //! initialiser: from sampling rate
    void init( const Spacegroup& spacegroup, const Cell& cell,
	       const Resolution& resolution, const ftype rate );
    //! initialiser: from Grid_sampling
    void init( const Grid_sampling& grid_sampling_ );
    //! hierarchical update
    void update();
  private:
    ftype rate_;  //!< Store for later initialisation
  };


} // namespace clipper

#endif