HKLGenerator.cpp

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2018 ISIS Rutherford Appleton Laboratory UKRI,
//   NScD Oak Ridge National Laboratory, European Spallation Source,
//   Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
// SPDX - License - Identifier: GPL - 3.0 +
#include "MantidGeometry/Crystal/HKLGenerator.h"
 
namespace Mantid::Geometry {
 
using namespace Kernel;
 
HKLGenerator::HKLGenerator(const Kernel::V3D &hklMin, const Kernel::V3D &hklMax)
    : m_hklMin(hklMin), m_hklMax(hklMax), m_size(getSize(m_hklMin, m_hklMax)), m_begin(getBeginIterator()),
      m_end(getEndIterator()) {}
 
HKLGenerator::HKLGenerator(const Kernel::V3D &hklMinMax)
    : m_hklMin(hklMinMax * -1), m_hklMax(hklMinMax), m_size(getSize(m_hklMin, m_hklMax)), m_begin(getBeginIterator()),
      m_end(getEndIterator()) {}
 
HKLGenerator::HKLGenerator(int hMinMax, int kMinMax, int lMinMax) : m_hklMax(hMinMax, kMinMax, lMinMax) {
  m_hklMin = m_hklMax * -1;
  m_size = getSize(m_hklMin, m_hklMax);
 
  m_begin = getBeginIterator();
  m_end = getEndIterator();
}
 
HKLGenerator::HKLGenerator(const UnitCell &unitCell, double dMin)
    : m_hklMax(floor(unitCell.a() / dMin), floor(unitCell.b() / dMin), floor(unitCell.c() / dMin)) {
  m_hklMin = m_hklMax * -1;
  m_size = getSize(m_hklMin, m_hklMax);
 
  m_begin = getBeginIterator();
  m_end = getEndIterator();
}
 
size_t HKLGenerator::getSize(const V3D &min, const V3D &max) const {
  V3D diff = (max - min) + V3D(1, 1, 1);
  return static_cast<size_t>(diff.X() * diff.Y() * diff.Z());
}
 
HKLGenerator::const_iterator HKLGenerator::getBeginIterator() const {
  return HKLGenerator::const_iterator(m_hklMin, m_hklMax);
}
 
HKLGenerator::const_iterator HKLGenerator::getEndIterator() const { return HKLGenerator::const_iterator(getEndHKL()); }
 
V3D HKLGenerator::getEndHKL() const { return V3D(m_hklMax.X() + 1, m_hklMin.Y(), m_hklMin.Z()); }
 
HKLGenerator::const_iterator::const_iterator()
    : m_h(0), m_k(0), m_l(0), m_hkl(V3D(0, 0, 0)), m_hMax(0), m_kMin(0), m_kMax(0), m_lMin(0), m_lMax(0) {}
 
HKLGenerator::const_iterator::const_iterator(const V3D &current)
    : m_h(static_cast<int>(current.X())), m_k(static_cast<int>(current.Y())), m_l(static_cast<int>(current.Z())),
      m_hkl(current), m_hMax(m_h), m_kMin(m_k), m_kMax(m_k), m_lMin(m_l), m_lMax(m_l) {}
 
HKLGenerator::const_iterator::const_iterator(const V3D &hklMin, const V3D &hklMax)
    : m_h(static_cast<int>(hklMin.X())), m_k(static_cast<int>(hklMin.Y())), m_l(static_cast<int>(hklMin.Z())),
      m_hkl(hklMin), m_hMax(static_cast<int>(hklMax.X())), m_kMin(m_k), m_kMax(static_cast<int>(hklMax.Y())),
      m_lMin(m_l), m_lMax(static_cast<int>(hklMax.Z())) {}
 
void HKLGenerator::const_iterator::increment() {
  ++m_l;
 
  if (m_l > m_lMax) {
    m_l = m_lMin;
 
    ++m_k;
    if (m_k > m_kMax) {
      m_k = m_kMin;
      ++m_h;
    }
  }
 
  m_hkl = V3D(m_h, m_k, m_l);
}
 
} // namespace Mantid::Geometry