trunk/examples/no_release/random_points_10.cc

   1 // Voronoi calculation example code
   2 //
   3 // Author   : Chris H. Rycroft (LBL / UC Berkeley)
   4 // Email    : chr@alum.mit.edu
   5 // Date     : August 30th 2011
   6
   7 #include "voro++.hh"
   8 #include <iostream>
   9 #include <fstream>
  10 using namespace voro;
  11
  12 // Set up constants for the container geometry
  13 const double x_min=-1,x_max=1;
  14 const double y_min=-1,y_max=1;
  15 const double z_min=-1,z_max=1;
  16 const double cvol=(x_max-x_min)*(y_max-y_min)*(x_max-x_min);
  17
  18 // Set up the number of blocks that the container is divided into
  19 const int n_x=6,n_y=6,n_z=6;
  20
  21 // Set the number of particles that are going to be randomly introduced
  22 //const int particles=20;
  23 const int particles=10;
  24
  25 // This function returns a random double between 0 and 1
  26 double rnd() {return double(rand())/RAND_MAX;}
  27
  28 int main() {
  29         int i;
  30         double x,y,z;
  31
  32         // Create a container with the geometry given above, and make it
  33         // non-periodic in each of the three coordinates. Allocate space for
  34         // eight particles within each computational block
  35         container con(x_min,x_max,y_min,y_max,z_min,z_max,n_x,n_y,n_z,
  36                         false,false,false,8);
  37
  38         // Randomly add particles into the container
  39         for(i=0;i<particles;i++) {
  40                 x=x_min+rnd()*(x_max-x_min);
  41                 y=y_min+rnd()*(y_max-y_min);
  42                 z=z_min+rnd()*(z_max-z_min);
  43                 con.put(i,x,y,z);
  44         }
  45
  46         // Sum up the volumes, and check that this matches the container volume
  47         double vvol=con.sum_cell_volumes();
  48         printf("Container volume : %g\n"
  49                "Voronoi volume   : %g\n"
  50                "Difference       : %g\n",cvol,vvol,vvol-cvol);
  51
  52         // Output the particle positions in gnuplot format
  53         con.draw_particles("random_points_p.gnu");
  54
  55         // Output the Voronoi cells in gnuplot format
  56         con.draw_cells_gnuplot("random_points_v.gnu");
  57         const char *vars = "%q %s %n %f %t %w %P %o";
  58         con.print_custom(vars,"test.txt");
  59
  60 }