| | |
| | | /* vim: set ts=4 sts=4 sw=4 noet : */ |
| | | #include"general.h" |
| | | #include"poly.h" |
| | | #include<stdlib.h> |
| | |
| | | #include"bond.h" |
| | | #include<math.h> |
| | | #include"energy.h" |
| | | |
| | | ts_bool poly_assign_filament_xi(ts_vesicle *vesicle, ts_tape *tape){ |
| | | ts_uint i; |
| | | |
| | | for(i=0;i<vesicle->filament_list->n;i++){ |
| | | vesicle->filament_list->poly[i]->k = tape->xi; |
| | | } |
| | | |
| | | return TS_SUCCESS; |
| | | } |
| | | |
| | | |
| | | ts_bool poly_assign_spring_const(ts_vesicle *vesicle){ |
| | | ts_uint i; |
| | |
| | | ts_uint gvtxi; |
| | | ts_double xnorm,ynorm,znorm,normlength; |
| | | ts_double dphi,dh; |
| | | ts_uint ji; |
| | | |
| | | // 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; |
| | |
| | | else |
| | | { |
| | | /* Make filaments inside the vesicle. Helix with radius... Dist. between poly vertices put to 1*/ |
| | | dphi = 2*asin(1/2/vesicle->R_nucleus)*1.001; |
| | | dh = dphi/2/M_PI*1.001; |
| | | ts_double a,R,H,tantheta,h,r,phi,A0=1.2; |
| | | |
| | | a = A0*(ts_double)vesicle->nshell; |
| | | R = A0*((ts_double)vesicle->nshell)/(2.0*sin(M_PI/5.0)); |
| | | H = sqrt(a*a - R*R); |
| | | tantheta = sqrt(R*R - a*a/4.0)/H; |
| | | |
| | | h = -H + sqrt(vesicle->clist->dmin_interspecies)*1.5; |
| | | r = (H-fabs(h))*tantheta - sqrt(vesicle->clist->dmin_interspecies)*1.5; |
| | | dphi = 2.0*asin(1.0/2.0/r)*1.001; |
| | | dh = dphi/2.0/M_PI*1.001; |
| | | phi=0.0; |
| | | for(i=0;i<poly_list->n;i++){ |
| | | for (j=0;j<poly_list->poly[i]->vlist->n;j++){ |
| | | ji = j + i*poly_list->poly[i]->vlist->n; |
| | | poly_list->poly[i]->vlist->vtx[j]->x = vesicle->R_nucleus*cos(ji*dphi); |
| | | poly_list->poly[i]->vlist->vtx[j]->y = vesicle->R_nucleus*sin(ji*dphi); |
| | | poly_list->poly[i]->vlist->vtx[j]->z = ji*dh; |
| | | h = h + dh; |
| | | r = (H-fabs(h))*tantheta - sqrt(vesicle->clist->dmin_interspecies)*1.5; |
| | | dphi = 2.0*asin(1.0/2.0/r)*1.001; |
| | | dh = dphi/2.0/M_PI*1.001; |
| | | phi+=dphi; |
| | | //ji = j + i*poly_list->poly[i]->vlist->n; |
| | | poly_list->poly[i]->vlist->vtx[j]->x = r*cos(phi); |
| | | poly_list->poly[i]->vlist->vtx[j]->y = r*sin(phi); |
| | | poly_list->poly[i]->vlist->vtx[j]->z = h;// ji*dh - (dh*poly_list->n*poly_list->poly[i]->vlist->n/2.0); |
| | | } |
| | | } |
| | | } |
| | |
| | | |
| | | 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; |
| | | } |
| | | |