ODFCellProcessor.h

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#pragma once
 
class ODF;
 
#include <array>
#include "CellProcessor.h"
 
class ODFCellProcessor : public CellProcessor {
 
 public:
  ODFCellProcessor(double cutoffRadius,
                   ODF *odf,
                   const std::array<double, 3> &simBoxSize);
 
  void initTraversal() override;
  void preprocessCell(ParticleCell &cell) override;
  void processCellPair(ParticleCell &cell1, ParticleCell &cell2, bool sumAll) override;
  void processCell(ParticleCell &cell) override;
  double processSingleMolecule(Molecule *m1, ParticleCell &cell2) override;
  void postprocessCell(ParticleCell &cell) override;
  void endTraversal() override;
 
 private:
 
  std::array<double, 3> calcOrientationVector(const Molecule & molecule);
 
  ODF * const _odf;
  const std::array<double, 3> _simBoxSize;
};