Interactions.h

   1 #ifndef _INTERACTIONS_H
   2 #define _INTERACTIONS_H
   3
   4 #include <string>
   5 #include <vector>
   6
   7 using namespace std;
   8
   9 #include "Direction.h"
  10 #include "Combination.hpp"
  11
  12 struct Interaction {
  13         string name;
  14         Directions directions;
  15         vector<Directions> symmetryDirections;
  16         double multiplicity;
  17         double energy;
  18         void generateSymmetryEquivalentVecC2v(Directions directions, vector<Directions>& symmetryDirections);
  19         friend bool operator==(Directions& firstDirections, Directions& secondDirections);
  20         Direction mirrorXZ(Directions::iterator direction);
  21         Direction mirrorYZ(Directions::iterator direction);
  22         // Direction rotate90degreeZ (Directions::iterator direction);
  23         vector<Directions> rotate90degreeZ (Directions& directions);
  24         Interaction(const string name = "", int multiplicity = 0, double energy =
  25                         0.0) :
  26                 name(name), multiplicity(multiplicity), energy(energy) {
  27         };
  28 };
  29
  30
  31
  32
  33
  34
  35 class Interactions: public vector<Interaction> {
  36 public:
  37         static bool compareInteraction (const Interaction a, const Interaction b);
  38         friend ostream& operator<<(ostream& output, const Interactions&);
  39         void symmetrizeInteractions (Interactions& interactions);
  40         void joinSymmetryEquivalent (Interactions& interactions);
  41         void generateCombinations();
  42
  43 };
  44
  45 #endif