pspc/field/CFieldContainer.h

#ifndef PSPC_C_FIELD_CONTAINER_H
#define PSPC_C_FIELD_CONTAINER_H
 
/*
* PSCF - Polymer Self-Consistent Field Theory
*
* Copyright 2016 - 2022, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/
 
#include <util/containers/DArray.h>        // member template
#include <pspc/field/RField.h>             // member template parameter
 
namespace Pscf {
namespace Pspc {
 
   using namespace Util;
 
   template <int D>
   class CFieldContainer 
   {
 
   public:
 
      CFieldContainer();
 
      ~CFieldContainer();
 
      void setNMonomer(int nMonomer);
 
      void allocateRGrid(IntVec<D> const & dimensions);
 
      void deallocateRGrid();
 
      void allocateBasis(int nBasis);
 
      void deallocateBasis();
 
      void allocate(int nMonomer, int nBasis, IntVec<D> const & dimensions);
 
      DArray< DArray<double> > & basis()
      {  return basis_; }
 
      DArray< DArray<double> > const & basis() const
      {  return basis_; }
 
      DArray<double> & basis(int monomerId)
      {  return basis_[monomerId]; }
 
      DArray<double> const & basis(int monomerId) const
      {  return basis_[monomerId]; }
 
      DArray< RField<D> > & rgrid()
      {  return rgrid_; }
 
      DArray< RField<D> > const & rgrid() const
      {  return rgrid_; }
 
      RField<D> & rgrid(int monomerId)
      {  return rgrid_[monomerId]; }
 
      RField<D> const & rgrid(int monomerId) const
      {  return rgrid_[monomerId]; }
 
      bool isAllocatedRGrid() const
      {  return isAllocatedRGrid_; }
 
      bool isAllocatedBasis() const
      {  return isAllocatedBasis_; }
 
   private:
 
      /*
      * Array of fields in symmetry-adapted basis format
      *
      * Element basis_[i] is an array that contains the components
      * of the field associated with monomer i, in a symmetry-adapted
      * Fourier basis expansion. 
      */
      DArray< DArray<double> > basis_;
 
      /*
      * Array of fields in real-space grid (r-grid) format
      *
      * Element basis_[i] is an RField<D> that contains values of the 
      * field associated with monomer i on the nodes of a regular mesh.
      */
      DArray< RField<D> > rgrid_;
 
      /*
      * Number of monomer types.
      */
      int nMonomer_;
 
      /*
      * Has memory been allocated for fields in r-grid format?
      */
      bool isAllocatedRGrid_;
 
      /*
      * Has memory been allocated for fields in basis format?
      */
      bool isAllocatedBasis_;
 
   };
 
   #ifndef PSPC_FIELD_CONTAINER_TPP
   // Suppress implicit instantiation
   extern template class CFieldContainer<1>;
   extern template class CFieldContainer<2>;
   extern template class CFieldContainer<3>;
   #endif
 
} // namespace Pspc
} // namespace Pscf
#endif