ParticleBinStructure.h

Go to the documentation of this file.

 
#pragma once
 
#include <array>
#include <vector>
 
#include "ArrayMath.h"
#include "ExceptionHandler.h"
#include "ThreeDimensionalMapping.h"
 
namespace autopas::utils {
class ParticleBinStructure {
 public:
  ParticleBinStructure(std::array<size_t, 3> numBinsPerDim, std::array<double, 3> binLength,
                       std::array<double, 3> boxMin, std::array<double, 3> boxMax, double cutoff);
 
  ParticleBinStructure(size_t numBinsPerDim, std::array<double, 3> binLength, std::array<double, 3> boxMin,
                       std::array<double, 3> boxMax, double cutoff)
      : ParticleBinStructure({numBinsPerDim, numBinsPerDim, numBinsPerDim}, binLength, boxMin, boxMax, cutoff){};
 
  void countParticle(const std::array<double, 3> &particlePosition);
 
  void calculateStatistics();
 
  void resetCounters();
 
  [[nodiscard]] const size_t &getTotalParticleCount() const;
 
  [[nodiscard]] const std::vector<size_t> &getParticleCounts() const;
 
  [[nodiscard]] const std::array<std::size_t, 3> &getNumBinsPerDim() const;
 
  void setCellsPerDim(const std::array<std::size_t, 3> &numBinsPerDim);
 
  [[nodiscard]] const std::array<double, 3> &getBinLength() const;
 
  [[nodiscard]] const std::array<double, 3> &getBinLengthReciprocal() const;
 
  void setBinLength(const std::array<double, 3> &binLength);
 
  [[nodiscard]] const std::array<double, 3> &getBoxMin() const;
 
  void setBoxMin(const std::array<double, 3> &boxMin);
 
  [[nodiscard]] const std::array<double, 3> &getBoxMax() const;
 
  void setBoxMax(const std::array<double, 3> &boxMax);
 
  [[nodiscard]] std::size_t getNumberOfBins() const;
 
  void resize();
 
  [[nodiscard]] double getBinVolume() const;
 
  [[nodiscard]] double getMeanParticlesPerBin() const;
 
  [[nodiscard]] double getStdDevParticlesPerBin() const;
 
  [[nodiscard]] double getRelStdDevParticlesPerBin() const;
 
  [[nodiscard]] double getMeanDensity() const;
 
  [[nodiscard]] double getStdDevDensity() const;
 
  [[nodiscard]] double getMaxDensity() const;
 
  [[nodiscard]] size_t getMaxParticlesPerBin() const;
 
  [[nodiscard]] size_t getMinParticlesPerBin() const;
 
  [[nodiscard]] size_t getMedianParticlesPerBin() const;
 
  [[nodiscard]] size_t getLowerQuartileParticlesPerBin() const;
 
  [[nodiscard]] size_t getUpperQuartileParticlesPerBin() const;
 
  [[nodiscard]] size_t getNumEmptyBins() const;
 
  [[nodiscard]] double getEstimatedNumberOfNeighborInteractions() const;
 
 private:
  std::vector<std::size_t> _particleCounts{0};
 
  size_t _totalParticleCount{0};
 
  std::array<std::size_t, 3> _numBinsPerDim{};
 
  std::array<double, 3> _binLength{};
 
  std::array<double, 3> _binLengthReciprocal{};
 
  std::array<double, 3> _boxMin{};
 
  std::array<double, 3> _boxMax{};
 
  double _cutoff{};
 
  bool _statisticsCalculated = false;
 
  double _meanParticlesPerBin{};
 
  double _meanDensity{};
 
  double _stdDevParticlesPerBin{};
 
  double _relStdDevParticlesPerBin{};
 
  double _stdDevDensity{};
 
  double _maxDensity{};
 
  size_t _maxParticlesPerBin{};
 
  size_t _minimumParticlesPerBin{};
 
  size_t _medianParticlesPerBin{};
 
  size_t _lowerQuartileParticlesPerBin{};
 
  size_t _upperQuartileParticlesPerBin{};
 
  size_t _numEmptyBins{};
 
  double _estimatedNumberOfNeighborInteractions{};
};
}  // namespace autopas::utils