Added capability to decrease number of poly in tape and random polymeres are removed from the vesicle in dump aswell.
| | |
| | | ts_fprintf(stdout, "Simulation already completed. if you want to rerun it try with --force-from-tape or --reset-iteration-count\n\n"); |
| | | return 0; |
| | | } |
| | | |
| | | /* if requested in tape, we can have smaller number of polymeres attached to membrane than the number of polymeres in dump file */ |
| | | if(vesicle->tape->npoly != vesicle->poly_list->n){ |
| | | |
| | | ts_fprintf(stdout,"(INFO) the number of polymeres attached to membrane in tape is different than a number of polymeres in dump file!\n"); |
| | | if(vesicle->tape->npoly > vesicle->poly_list->n){ |
| | | ts_fprintf(stdout,"(INFO) It is possible to decrease the number of polymeres on the membrane, but it is not allowed to increase its number. The maximal allowed number in tape is %d The execution of program will terminate!\n",vesicle->poly_list->n); |
| | | fatal("Terminating due to increase of number of polymeres",1); |
| | | } else { |
| | | remove_random_polymeres(vesicle->poly_list, vesicle->poly_list->n - vesicle->tape->npoly); |
| | | ts_fprintf(stdout,"(INFO)\n(INFO) The new number of polymeres from tape is %d.\n\n",vesicle->poly_list->n); |
| | | |
| | | } |
| | | } |
| | | } |
| | | |
| | | run_simulation(vesicle, tape->mcsweeps, tape->inititer, tape->iterations, start_iteration); |
| | |
| | | |
| | | // Grafting polymers: |
| | | if (vlist!=NULL){ |
| | | if (n_poly > vlist->n){fatal("Number of polymers larger then numbero f vertices on a vesicle.",310);} |
| | | if (n_poly > vlist->n){fatal("Number of polymers larger than numbero f vertices on a vesicle.",310);} |
| | | |
| | | while(i<n_poly){ |
| | | gvtxi = rand() % vlist->n; |
| | |
| | | |
| | | return TS_SUCCESS; |
| | | } |
| | | |
| | | |
| | | ts_poly *remove_poly_with_index(ts_poly_list *poly_list, ts_uint idx){ |
| | | ts_uint i; |
| | | ts_poly *removed_poly=poly_list->poly[idx]; |
| | | |
| | | poly_list->n--; //decrease the total number of polymeres |
| | | for(i=idx;i<poly_list->n;i++){ //move the rest of the polymeres up. |
| | | poly_list->poly[i]=poly_list->poly[i+1]; |
| | | // poly_list->poly[idx]->idx=idx; |
| | | } |
| | | |
| | | return removed_poly; |
| | | } |
| | | |
| | | |
| | | ts_bool remove_random_polymeres(ts_poly_list *poly_list, ts_uint number){ |
| | | |
| | | ts_uint i, idx; |
| | | ts_poly *poly; |
| | | |
| | | ts_poly **new_poly_array; |
| | | if(number>poly_list->n) fatal("The number of polymeres to be removed from the list is greater than the number of total polymeres in the list",999); |
| | | for(i=number;i>0;i--){ |
| | | idx=rand() % poly_list->n; |
| | | poly=remove_poly_with_index(poly_list, idx); |
| | | poly_free(poly); |
| | | } |
| | | printf("Addr before %ld\n", (long)poly_list->poly); |
| | | new_poly_array=(ts_poly **)calloc(poly_list->n,sizeof(ts_poly *)); |
| | | for(i=0;i<poly_list->n;i++){ |
| | | new_poly_array[i]=poly_list->poly[i]; |
| | | } |
| | | free(poly_list->poly); |
| | | poly_list->poly=new_poly_array; |
| | | printf("Addr after %ld\n", (long)poly_list->poly); |
| | | return TS_SUCCESS; |
| | | } |
| | | |
| | |
| | | |
| | | ts_bool poly_assign_filament_xi(ts_vesicle *vesicle, ts_tape *tape); |
| | | |
| | | ts_poly *remove_poly_with_index(ts_poly_list *poly_list, ts_uint idx); |
| | | ts_bool remove_random_polymeres(ts_poly_list *poly_list, ts_uint number); |
| | | #endif |
| | |
| | | |
| | | ####### Polymer (brush) definitions ########### |
| | | # npoly is a number of polymers attached to npoly distinct vertices on vesicle |
| | | npoly=0 |
| | | npoly=500 |
| | | # nmono is a number of monomers in each polymer |
| | | nmono=10 |
| | | # Spring constant between monomers of the polymer |