voroxx 1.0.0

Voro++, a 3D cell-based Voronoi library
Documentation 
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// Example code demonstrating find_voronoi_cell function
//
// Author   : Chris H. Rycroft (Harvard University / LBL)
// Email    : chr@alum.mit.edu
// Date     : August 30th 2011

#include "voro++.hh"
using namespace voro;

// The sampling distance for the grids of find_voronoi_cell calls
const double h=0.05;

// The cube of the sampling distance, corresponding the amount of volume
// associated with a sample point
const double hcube=h*h*h;

// Set the number of particles that are going to be randomly introduced
const int particles=20;

// This function returns a random double between 0 and 1
double rnd() {return double(rand())/RAND_MAX;}

int main() {
	int i;
	double x,y,z,r,rx,ry,rz;

	// Create a container with the geometry given above, and make it
	// non-periodic in each of the three coordinates. Allocate space for
	// eight particles within each computational block
	container con(0,1,0,1,0,1,5,5,5,false,false,false,8);

	// Randomly add particles into the container
	for(i=0;i<particles;i++) {
		x=rnd();
		y=rnd();
		z=rnd();
		con.put(i,x,y,z);
	}

	// Output the particle positions in gnuplot format
	con.draw_particles("find_voro_cell_p.gnu");

	// Scan a 2D slice in the container, and for each point in the slice,
	// find the Voronoi cell that the point is in. Store a vector
	FILE *f1=safe_fopen("find_voro_cell.vec","w");
	for(x=0.5*h;x<1;x+=h) for(y=0.5*h;y<1;y+=h) {
		if(con.find_voronoi_cell(x,y,0.5,rx,ry,rz,i))
			fprintf(f1,"%g %g %g %g %g %g %g\n",x,y,0.5,rx-x,ry-y,rz-0.5,
				sqrt((rx-x)*(rx-x)+(ry-y)*(ry-y)+(rz-0.5)*(rz-0.5)));
		else fprintf(stderr,"# find_voronoi_cell error for %g %g 0.5\n",x,y);
	}
	fclose(f1);

	// Create a blank array for storing the sampled Voronoi volumes
	int samp_v[particles];
	for(i=0;i<particles;i++) samp_v[i]=0;

	// Scan over a grid covering the entire container, finding which
	// Voronoi cell each point is in, and tallying the result as a method
	// of sampling the volume of each Voronoi cell
	for(z=0.5*h;z<1;z+=h) for(y=0.5*h;y<1;y+=h) for(x=0.5*h;x<1;x+=h) {
		if(con.find_voronoi_cell(x,y,z,rx,ry,rz,i)) samp_v[i]++;
		else fprintf(stderr,"# find_voronoi_cell error for %g %g %g\n",x,y,z);
	}

	// Output the Voronoi cells in gnuplot format and a file with the
	// comparisons between the Voronoi cell volumes and the sampled volumes
	f1=safe_fopen("find_voro_cell.vol","w");
	FILE *f2=safe_fopen("find_voro_cell_v.gnu","w");
	c_loop_all cla(con);
	voronoicell c;
	if(cla.start()) do if (con.compute_cell(c,cla)) {

		// Get the position and ID information for the particle
		// currently being considered by the loop. Ignore the radius
		// information.
		cla.pos(i,x,y,z,r);

		// Save and entry to the .vol file, storing both the computed
		// Voronoi cell volume, and the sampled volume based on the
		// number of grid points that were inside the cell
		fprintf(f1,"%d %g %g %g %g %g\n",i,x,y,z,c.volume(),samp_v[i]*hcube);

		// Draw the Voronoi cell
		c.draw_gnuplot(x,y,z,f2);
	} while (cla.inc());
	fclose(f1);
	fclose(f2);
}