It seems that bondlip is debugged. Still, recommend testing

Samo Penic

2014-03-08 7efbb1dbd7c2c1368c429858a32fbeb9467420a8

 src/bondflip.c

@@ -126,32 +126,36 @@
ts_triangle *bck_tria[4];
ts_bond *bck_bond;
ts_vertex *orig_vtx[]={k,it,kp,km};
ts_triangle *orig_tria[]={lm,lp, lm2,lp1};
ts_triangle *orig_tria[]={lm,lp,lm2,lp1};

fprintf(stderr,"Backuping!!!\n");
//fprintf(stderr,"Backuping!!!\n");
   bck_bond=(ts_bond *)malloc(sizeof(ts_bond));
for(i=0;i<4;i++){
/*   fprintf(stderr,"vtx neigh[%d]=",i);
   for(j=0;j<orig_vtx[i]->neigh_no;j++) fprintf(stderr," %d", orig_vtx[i]->neigh[j]->idx);
   fprintf(stderr,"\n");
*/
   bck_vtx[i]=(ts_vertex *)malloc(sizeof(ts_vertex));
   bck_tria[i]=(ts_triangle *)malloc(sizeof(ts_triangle));
   bck_bond=(ts_bond *)malloc(sizeof(ts_bond));
   memcpy((void *)bck_vtx[i],(void *)orig_vtx[i],sizeof(ts_vertex));
   memcpy((void *)bck_tria[i],(void *)orig_tria[i],sizeof(ts_triangle));
   /* level 2 pointers */

   bck_vtx[i]->neigh=(ts_vertex **)malloc(orig_vtx[i]->neigh_no*sizeof(ts_vertex *));
   bck_vtx[i]->tristar=(ts_triangle **)malloc(orig_vtx[i]->tristar_no*sizeof(ts_triangle *));
   bck_vtx[i]->bond=(ts_bond **)malloc(orig_vtx[i]->bond_no*sizeof(ts_bond *));
   bck_tria[i]->neigh=(ts_triangle **)malloc(orig_tria[i]->neigh_no*sizeof(ts_triangle *));

   bck_vtx[i]=memcpy(bck_vtx[i],orig_vtx[i],sizeof(ts_vertex));
   bck_vtx[i]->neigh=memcpy(bck_vtx[i]->neigh,orig_vtx[i]->neigh,orig_vtx[i]->neigh_no*sizeof(ts_vertex *));
   bck_vtx[i]->tristar=memcpy(bck_vtx[i]->tristar,orig_vtx[i]->tristar,orig_vtx[i]->tristar_no*sizeof(ts_triangle *));
   bck_vtx[i]->bond=memcpy(bck_vtx[i]->bond,orig_vtx[i]->bond,orig_vtx[i]->bond_no*sizeof(ts_bond *));

		
   bck_tria[i]=memcpy(bck_tria[i],orig_tria[i],sizeof(ts_triangle));
   bck_tria[i]->neigh=memcpy(bck_tria[i]->neigh,orig_tria[i]->neigh,orig_tria[i]->neigh_no*sizeof(ts_triangle *));	
}
   bck_bond=memcpy(bck_bond,bond,sizeof(ts_bond));
fprintf(stderr,"Backup complete!!!\n");
/* end backup vertex */
   memcpy((void *)bck_vtx[i]->neigh,(void *)orig_vtx[i]->neigh,orig_vtx[i]->neigh_no*sizeof(ts_vertex *));
   memcpy((void *)bck_vtx[i]->tristar,(void *)orig_vtx[i]->tristar,orig_vtx[i]->tristar_no*sizeof(ts_triangle *));
   memcpy((void *)bck_vtx[i]->bond,(void *)orig_vtx[i]->bond,orig_vtx[i]->bond_no*sizeof(ts_bond *));
   
   memcpy((void *)bck_tria[i]->neigh,(void *)orig_tria[i]->neigh,orig_tria[i]->neigh_no*sizeof(ts_triangle *));	
}
   memcpy(bck_bond,bond,sizeof(ts_bond));
//fprintf(stderr,"Backup complete!!!\n");
/* end backup vertex */

/* Save old energy */
  oldenergy=0;
  oldenergy+=k->xk* k->energy;
@@ -193,54 +197,54 @@
#endif
        {
            //not accepted, reverting changes
//            fprintf(stderr,"Failed to move, due to MC\n");
       //restore all backups
//      fprintf(stderr,"Restoring!!!\n");

      //      ts_flip_bond(kp,km,k,it, bond, lm,lp,lm2,lp1);
//    fprintf(stderr,"%e, %e, %e\n", lp->xnorm, lp->ynorm, lp->znorm);
      for(i=0;i<4;i++){
//         fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
         free(orig_vtx[i]->neigh);
         free(orig_vtx[i]->tristar);
         free(orig_vtx[i]->bond);
         free(orig_tria[i]->neigh);
         memcpy((void *)orig_vtx[i],(void *)bck_vtx[i],sizeof(ts_vertex));
         memcpy((void *)orig_tria[i],(void *)bck_tria[i],sizeof(ts_triangle));
//         fprintf(stderr,"Restored vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
         /* level 2 pointers are redirected*/
      }
      memcpy(bond,bck_bond,sizeof(ts_bond));

   //restore all backups
            fprintf(stderr,"Restoring!!!\n");
      for(i=0;i<4;i++){
         free(bck_vtx[i]);
         free(bck_tria[i]);
/*         fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d =",i, orig_vtx[i]->neigh_no );
         for(j=0;j<orig_vtx[i]->neigh_no;j++) fprintf(stderr," %d", orig_vtx[i]->neigh[j]->idx);
         fprintf(stderr,"\n"); */
      }

for(i=0;i<4;i++){
   /* level 2 pointers */
   orig_vtx[i]=memcpy(orig_vtx[i],bck_vtx[i],sizeof(ts_vertex));
   orig_vtx[i]->neigh=memcpy(orig_vtx[i]->neigh,bck_vtx[i]->neigh,bck_vtx[i]->neigh_no*sizeof(ts_vertex *));
   orig_vtx[i]->tristar=memcpy(orig_vtx[i]->tristar,bck_vtx[i]->tristar,bck_vtx[i]->tristar_no*sizeof(ts_triangle *));
   orig_vtx[i]->bond=memcpy(orig_vtx[i]->bond,bck_vtx[i]->bond,bck_vtx[i]->bond_no*sizeof(ts_bond *));

		
   orig_tria[i]=memcpy(orig_tria[i],bck_tria[i],sizeof(ts_triangle));
   orig_tria[i]->neigh=memcpy(orig_tria[i]->neigh,bck_tria[i]->neigh,bck_tria[i]->neigh_no*sizeof(ts_triangle *));	
}
   bond=memcpy(bond,bck_bond,sizeof(ts_bond));


   for(i=0;i<4;i++){
      vtx_free(bck_vtx[i]);

    free(bck_tria[i]->neigh);
        free(bck_tria[i]);
		
   }
      free(bck_bond);
//      fprintf(stderr,"Restoration complete!!!\n");

            fprintf(stderr,"Restoration complete!!!\n");

            return TS_FAIL;
      return TS_FAIL;
        }
    }
     /* IF BONDFLIP ACCEPTED, THEN RETURN SUCCESS! */
            fprintf(stderr,"SUCCESS!!!\n");
  //          fprintf(stderr,"SUCCESS!!!\n");

   // delete all backups
   for(i=0;i<4;i++){
      vtx_free(bck_vtx[i]);

   free(bck_vtx[i]->neigh);
   free(bck_vtx[i]->bond);
   free(bck_vtx[i]->tristar);
   free(bck_vtx[i]);
    free(bck_tria[i]->neigh);
        free(bck_tria[i]);
		
/*   fprintf(stderr,"Afret backup deletion vtx neigh[%d]=",i);
   for(j=0;j<orig_vtx[i]->neigh_no;j++) fprintf(stderr," %d", orig_vtx[i]->neigh[j]->idx);
   fprintf(stderr,"\n");
*/	
   }
      free(bck_bond);
   free(bck_bond);

    return TS_SUCCESS;
}