Commit 17a04839 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Add configuration functions to estimate particle components size and particle size

parent 866f3376

src/include/Configuration.h

+14 −1
Original line number Diff line number Diff line
@@ -290,7 +290,7 @@ protected: 
  double *_radii_of_spheres;

  //! \brief Vector of sphere ID numbers, with size [N_SPHERES].

  int *_iog_vec;

  //! \brief Vector of layer numbers for every sphere, with size [N_SPHERES].

  //! \brief Vector of layer numbers for every sphere, with size [CONFIGURATIONS].

  int *_nshl_vec;

  //! \brief Vector of scale parameters, with size [N_SCALES].

  double *_scale_vec;
@@ -511,6 +511,12 @@ public: 
   */

  int get_iog(int index) { return _iog_vec[index]; }

  

  /*! \brief Get the maximum radius of the sphere components.

   *

   * \return radius: `double` The radius of the largest sphere.

   */

  double get_max_radius();

  

  /*! \brief Get the number of layers for a given configuration.

   *

   * This is a specialized function to get the number of layers in a specific
@@ -521,6 +527,13 @@ public: 
   */

  int get_nshl(int index) { return _nshl_vec[index]; }



  /*! \brief Get the radius of the smallest sphere containing the particle.

   *

   * \param gc: `GeometryConfiguration *` Pointer to a `GeometryConfiguration` instance.

   * \return radius: `double` The radius of the sphere containing the particle.

   */

  double get_particle_radius(GeometryConfiguration *gc);

  

  /*! \brief Get the radius of a sphere by its index.

   *

   * This is a specialized function to get the radius of a sphere through its

src/libnptm/Configuration.cpp

+34 −0
Original line number Diff line number Diff line
@@ -971,6 +971,40 @@ ScattererConfiguration* ScattererConfiguration::from_legacy(const std::string& f 
  return conf;

}



double ScattererConfiguration::get_max_radius() {

  double result = 0.0;

  for (int ci = 0; ci < _configurations; ci++) {

    if (_radii_of_spheres[ci] > result)

      result = _radii_of_spheres[ci];

  }

  return result;

}



double ScattererConfiguration::get_particle_radius(GeometryConfiguration *gc) {

  double result = 0.0;

  if (_use_external_sphere) {

    result = _radii_of_spheres[0] * _rcf[0][_nshl_vec[0] - 1];

  } else {

    double x, y, z;

    int far_index = -1;

    double dist2, max_dist;

    double max_dist2 = 0.0;

    for (int si = 0; si < _number_of_spheres; si++) {

      x = gc->get_sph_x(si);

      y = gc->get_sph_y(si);

      z = gc->get_sph_z(si);

      dist2 = x * x + y * y + z * z;

      if (dist2 > max_dist2) {

	max_dist2 = dist2;

	far_index = si;

      }

    }

    max_dist = sqrt(max_dist2);

    result = max_dist + _radii_of_spheres[far_index];

  }

  return result;

}



void ScattererConfiguration::print() {

  int ies = (_use_external_sphere)? 1 : 0;

  printf("### CONFIGURATION DATA ###\n");