| | |
| | | ts_uint i; //j; |
| | | ts_double oldenergy, delta_energy; |
| | | // ts_triangle *lm=NULL,*lp=NULL, *lp1=NULL, *lp2=NULL, *lm1=NULL, *lm2=NULL; |
| | | ts_vertex *kp=NULL,*km=NULL; |
| | | ts_triangle *lm=NULL, *lp=NULL; |
| | | |
| | | ts_vertex *kp,*km; |
| | | if(it->neigh->n< 3) return TS_FAIL; |
| | | if(k->neigh->n< 3) return TS_FAIL; |
| | | |
| | | if(it->neigh_no< 3) return TS_FAIL; |
| | | if(k->neigh_no< 3) return TS_FAIL; |
| | | if(k==NULL || it==NULL){ |
| | | fatal("In bondflip, number of neighbours of k or it is less than 3!",999); |
| | | } |
| | | |
| | | |
| | | nei=0; |
| | | for(i=0;i<it->neigh_no;i++){ // Finds the nn of it, that is k |
| | | if(it->neigh[i]==k){ |
| | | for(i=0;i<it->neigh->n;i++){ // Finds the nn of it, that is k |
| | | if(it->neigh->vtx[i]==k){ |
| | | nei=i; |
| | | break; |
| | | } |
| | | } |
| | | neip=nei+1; // I don't like it.. Smells like I must have it in correct order |
| | | neim=nei-1; |
| | | if(neip>=it->neigh_no) neip=0; |
| | | if((ts_int)neim<0) neim=it->neigh_no-1; /* casting is essential... If not |
| | | if(neip>=it->neigh->n) neip=0; |
| | | if((ts_int)neim<0) neim=it->neigh->n-1; /* casting is essential... If not |
| | | there the neim is never <0 !!! */ |
| | | // fprintf(stderr,"The numbers are: %u %u\n",neip, neim); |
| | | km=it->neigh[neim]; // We located km and kp |
| | | kp=it->neigh[neip]; |
| | | km=it->neigh->vtx[neim]; // We located km and kp |
| | | kp=it->neigh->vtx[neip]; |
| | | |
| | | //find lm and lp (triangles that is common with k and it) |
| | | for(i=0;i<it->tristar_no;i++){ |
| | | if(it->tristar[i]->vertex[0]==k || it->tristar[i]->vertex[1]==k || it->tristar[i]->vertex[2]==k){ |
| | | if(lm==NULL) lm=it->tristar[i]; |
| | | else lp=it->tristar[i]; |
| | | } |
| | | } |
| | | |
| | | if(lm==NULL || lp==NULL) { |
| | | fatal("In bondflip, cannot determine lp and lm",999); |
| | | } |
| | | |
| | | if(km==NULL || kp==NULL){ |
| | | fatal("In bondflip, cannot determine km and kp!",999); |
| | |
| | | |
| | | /* test if the membrane is wrapped too much, so that kp is nearest neighbour of |
| | | * km. If it is true, then don't flip! */ |
| | | for(i=0;i<km->neigh_no;i++){ |
| | | if(km->neigh[i] == kp) return TS_FAIL; |
| | | for(i=0;i<km->neigh->n;i++){ |
| | | if(km->neigh->vtx[i] == kp) return TS_FAIL; |
| | | } |
| | | // fprintf(stderr,"Membrane didn't wrap too much.. Continue.\n"); |
| | | /* if bond would be too long, return... */ |
| | |
| | | |
| | | /* Calculating the new energy */ |
| | | delta_energy=0; |
| | | for(i=0;i<k->neigh_no;i++) energy_vertex(k->neigh[i]); |
| | | for(i=0;i<kp->neigh_no;i++) energy_vertex(kp->neigh[i]); |
| | | for(i=0;i<km->neigh_no;i++) energy_vertex(km->neigh[i]); |
| | | for(i=0;i<it->neigh_no;i++) energy_vertex(it->neigh[i]); |
| | | for(i=0;i<k->neigh->n;i++) energy_vertex(k->neigh->vtx[i]); |
| | | for(i=0;i<kp->neigh->n;i++) energy_vertex(kp->neigh->vtx[i]); |
| | | for(i=0;i<km->neigh->n;i++) energy_vertex(km->neigh->vtx[i]); |
| | | for(i=0;i<it->neigh->n;i++) energy_vertex(it->neigh->vtx[i]); |
| | | delta_energy+=k->xk* k->energy; |
| | | delta_energy+=kp->xk* kp->energy; |
| | | delta_energy+=km->xk* km->energy; |
| | |
| | | // 3. step. Correct neighbours in vertex_list |
| | | |
| | | |
| | | vtx_remove_neighbour(k,it); |
| | | vertex_list_remove_vtx(k->neigh, it); |
| | | vertex_list_remove_vtx(it->neigh, k); |
| | | //vtx_remove_neighbour(k,it); |
| | | // vtx_remove_neighbour(it,k); |
| | | //fprintf(stderr,"3. step (PROGRESS): removed k and it neighbours\n"); |
| | | |
| | | //Tukaj pa nastopi tezava... Kam dodati soseda? |
| | | vtx_insert_neighbour(km,kp,k); |
| | | vtx_insert_neighbour(kp,km,it); |
| | | // vertex_add_neighbour(km,kp); //pazi na vrstni red. |
| | | // vertex_add_neighbour(kp,km); |
| | | |
| | | // vtx_insert_neighbour(km,kp,k); |
| | | // vtx_insert_neighbour(kp,km,it); |
| | | vtx_add_neighbour(km,kp); //pazi na vrstni red. |
| | | vtx_add_neighbour(kp,km); |
| | | //fprintf(stderr,"3. step: vertex neighbours corrected\n"); |
| | | |
| | | // 3a. step. If any changes to ts_vertex, do it here! |