Lattice.h

   1 #ifndef _LATTICE_H
   2 #define _LATTICE_H
   3
   4 #include <blitz/array.h>
   5 using namespace blitz;
   6
   7 #include "Interactions.h"
   8
   9 enum Occupation {
  10         empty = 0, CO, Pd, O, max_species
  11 };
  12
  13 class LatticeLayer: public Array<Occupation, 2> {
  14 public:
  15         LatticeLayer& operator=(Occupation const& o);
  16
  17         friend ostream& operator<<(ostream& output, const LatticeLayer&);
  18 };
  19
  20 class Lattice {
  21 public:
  22         Lattice();
  23         Lattice(int, int, int, int);
  24
  25         int GranularityX, GranularityY;
  26         int UnitCellSizeX, UnitCellSizeY;
  27
  28         LatticeLayer adsorbates;
  29         LatticeLayer surface;
  30
  31         double nrCO;
  32
  33         void assessInteractions(Interactions&);
  34
  35
  36         friend ostream& operator<<(ostream& output, const Lattice&);
  37
  38 };
  39
  40 #endif