int main()
{
init_random(); // set the random generator seed
init_ga(); // initialise and evaluate population
display(); // display initial state
// evolve population
while(evals < MAX_EVALS) {
SF child = create_child();
eval(&child);
add_offspring(&child);
// display output when necessary
if(evals % DISP_EVALS == 0)
display();
}
// print best shape found
SF best = pop[fittest_individual()];
print_sf(&best);
// write best to stl
// _Bool grid[GRID_SIZE][GRID_SIZE][GRID_SIZE];
// draw_super_formula( best.genome, grid );
// write_stl( grid, "best.stl" );
return EXIT_SUCCESS;
}
bool update_forcefield(FILE *fplog,
int nfile,t_filenm fnm[],t_forcerec *fr,
int natoms,rvec x[],matrix box)
{
static int ntry,ntried;
int i,j;
bool bDone;
/* First time around we have to read the parameters */
if (nparm == 0) {
range = read_range(ftp2fn(efDAT,nfile,fnm),&nparm);
if (nparm == 0)
gmx_fatal(FARGS,"No correct parameter info in %s",ftp2fn(efDAT,nfile,fnm));
snew(param_val,nparm);
if (opt2bSet("-ga",nfile,fnm)) {
/* Genetic algorithm time */
ga = init_ga(fplog,opt2fn("-ga",nfile,fnm),nparm,range);
}
else {
/* Determine the grid size */
ntry = 1;
for(i=0; (i<nparm); i++)
ntry *= range[i].np;
ntried = 0;
fprintf(fplog,"Going to try %d different combinations of %d parameters\n",
ntry,nparm);
}
}
if (ga) {
update_ga(fplog,range,ga);
}
else {
/* Increment the counter
* Non-trivial, since this is nparm nested loops in principle
*/
for(i=0; (i<nparm); i++) {
if (param_val[i] < (range[i].np-1)) {
param_val[i]++;
for(j=0; (j<i); j++)
param_val[j] = 0;
ntried++;
break;
}
}
if (i == nparm) {
fprintf(fplog,"Finished with %d out of %d iterations\n",ntried+1,ntry);
return TRUE;
}
}
/* Now do the real updating */
update_ff(fr,nparm,range,param_val);
/* Update box and coordinates if necessary */
scale_box(natoms,x,box);
return FALSE;
}
void main_do_aln(Parameter *PARAM)
{
Chromosome *R;
Chromosome *C;
char fname[200];
if ( (PARAM->BGA)->EVALUATE_ONLY==1)
{
C=declare_chromosome (PARAM);
code_chromosome ((PARAM->BGA)->REFERENCE, C, PARAM);
save_individual ( C,NULL, 0, PARAM);
}
else
{
init_ga ( PARAM);
}
}
