SymmetryGroup.h

#ifndef PSCF_SYMMETRY_GROUP_H
#define PSCF_SYMMETRY_GROUP_H
 
/*
* Pscfatico - Simulation Package for Polymeric and Molecular Liquids
*
* Copyright 2016 - 2022, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/
 
//#include <iostream>
#include <vector>
 
namespace Pscf 
{
 
   template <class Symmetry>    
   class SymmetryGroup 
   {
 
   public:
 
      SymmetryGroup();
 
      SymmetryGroup(const SymmetryGroup<Symmetry>& other);
 
      ~SymmetryGroup();
 
      SymmetryGroup<Symmetry>& 
      operator = (const SymmetryGroup<Symmetry>& other);
 
      bool add(Symmetry& symmetry);
 
      void makeCompleteGroup();
 
      void clear();
 
      const Symmetry* find(const Symmetry& symmetry) const;
 
      const Symmetry& identity() const;
 
      int size() const;
 
      Symmetry& operator [] (int i);
 
      const Symmetry& operator [] (int i) const;
 
      bool operator == (SymmetryGroup<Symmetry> const &  other) const;
 
      bool operator != (SymmetryGroup<Symmetry> const &  other) const;
 
      bool isValid() const;
 
   private:
 
      // Array of symmetry elements
      std::vector<Symmetry> elements_;
 
      // Identity element
      Symmetry identity_;
 
   };
 
 
   // Inline member function definitions
 
   /*
   * Return the current size of the group.
   */
   template <class Symmetry>
   inline 
   int SymmetryGroup<Symmetry>::size() const
   {  return elements_.size(); }
 
   /*
   * Return identity element.
   */
   template <class Symmetry>
   inline 
   const Symmetry& SymmetryGroup<Symmetry>::identity() const
   {  return identity_; }
 
   /*
   * Element access operator (by reference).
   */
   template <class Symmetry> 
   inline 
   Symmetry& SymmetryGroup<Symmetry>::operator [] (int i)
   { return elements_[i]; }
 
   /*
   * Element access operator (by reference).
   */
   template <class Symmetry> 
   inline 
   const Symmetry& SymmetryGroup<Symmetry>::operator [] (int i) const
   { return elements_[i]; }
 
   #ifndef PSCF_SYMMETRY_GROUP_TPP
   template <int D> class SpaceSymmetry;
   extern template class SymmetryGroup< SpaceSymmetry<1> >;
   extern template class SymmetryGroup< SpaceSymmetry<2> >;
   extern template class SymmetryGroup< SpaceSymmetry<3> >;
   #endif 
 
}
#endif