| | |
| | | ts_poly *poly=(ts_poly *)calloc(1,sizeof(ts_poly)); |
| | | poly->vlist = init_vertex_list(n); |
| | | poly->blist = init_bond_list(); |
| | | poly->grafted_vtx = grafted_vtx; |
| | | grafted_vtx->grafted_poly = poly; |
| | | if (grafted_vtx!=NULL){ |
| | | poly->grafted_vtx = grafted_vtx; |
| | | grafted_vtx->grafted_poly = poly; |
| | | } |
| | | |
| | | ts_uint i; |
| | | for(i=0;i<n-1;i++){ |
| | |
| | | } |
| | | |
| | | |
| | | ts_poly_list *init_poly_list(ts_uint n_poly, ts_uint n_mono, ts_vertex_list *vlist){ |
| | | ts_poly_list *init_poly_list(ts_uint n_poly, ts_uint n_mono, ts_vertex_list *vlist, ts_vesicle *vesicle){ |
| | | ts_poly_list *poly_list=(ts_poly_list *)calloc(1,sizeof(ts_poly_list)); |
| | | poly_list->poly = (ts_poly **)calloc(n_poly,sizeof(ts_poly *)); |
| | | ts_uint i=0,j=0; //idx; |
| | | ts_uint gvtxi; |
| | | ts_double xnorm,ynorm,znorm,normlength; |
| | | ts_double dphi,dh; |
| | | ts_uint ji; |
| | | |
| | | if (n_poly > vlist->n){fatal("Number of polymers larger then numbero f vertices on a vesicle.",310);} |
| | | // Grafting polymers: |
| | | if (vlist!=NULL){ |
| | | if (n_poly > vlist->n){fatal("Number of polymers larger then numbero f vertices on a vesicle.",310);} |
| | | |
| | | while(i<n_poly){ |
| | | gvtxi = rand() % vlist->n; |
| | | if (vlist->vtx[gvtxi]->grafted_poly == NULL){ |
| | | poly_list->poly[i] = init_poly(n_mono, vlist->vtx[gvtxi]); |
| | | i++; |
| | | while(i<n_poly){ |
| | | gvtxi = rand() % vlist->n; |
| | | if (vlist->vtx[gvtxi]->grafted_poly == NULL){ |
| | | poly_list->poly[i] = init_poly(n_mono, vlist->vtx[gvtxi]); |
| | | i++; |
| | | } |
| | | } |
| | | } |
| | | |
| | | else |
| | | { |
| | | for(i=0;i<n_poly;i++){ |
| | | poly_list->poly[i] = init_poly(n_mono, NULL); |
| | | } |
| | | } |
| | | |
| | | poly_list->n = n_poly; |
| | | |
| | | /* Make straight poylmers normal to membrane. Dist. between poly vertices put to 1*/ |
| | | for (i=0;i<poly_list->n;i++){ |
| | | if (vlist!=NULL){ |
| | | /* Make straight grafted poylmers normal to membrane (polymer brush). Dist. between poly vertices put to 1*/ |
| | | for (i=0;i<poly_list->n;i++){ |
| | | |
| | | xnorm=0.0; |
| | | ynorm=0.0; |
| | | znorm=0.0; |
| | | for (j=0;j<poly_list->poly[i]->grafted_vtx->tristar_no;j++){ |
| | | xnorm-=poly_list->poly[i]->grafted_vtx->tristar[j]->xnorm; |
| | | ynorm-=poly_list->poly[i]->grafted_vtx->tristar[j]->ynorm; |
| | | znorm-=poly_list->poly[i]->grafted_vtx->tristar[j]->znorm; |
| | | } |
| | | normlength=sqrt(xnorm*xnorm+ynorm*ynorm+znorm*znorm); |
| | | xnorm=xnorm/normlength; |
| | | ynorm=ynorm/normlength; |
| | | znorm=znorm/normlength; |
| | | |
| | | xnorm=0.0; |
| | | ynorm=0.0; |
| | | znorm=0.0; |
| | | for (j=0;j<poly_list->poly[i]->grafted_vtx->tristar_no;j++){ |
| | | xnorm-=poly_list->poly[i]->grafted_vtx->tristar[j]->xnorm; |
| | | ynorm-=poly_list->poly[i]->grafted_vtx->tristar[j]->ynorm; |
| | | znorm-=poly_list->poly[i]->grafted_vtx->tristar[j]->znorm; |
| | | for (j=0;j<poly_list->poly[i]->vlist->n;j++){ |
| | | poly_list->poly[i]->vlist->vtx[j]->x = poly_list->poly[i]->grafted_vtx->x + xnorm*(ts_double)(j+1); |
| | | poly_list->poly[i]->vlist->vtx[j]->y = poly_list->poly[i]->grafted_vtx->y + ynorm*(ts_double)(j+1); |
| | | poly_list->poly[i]->vlist->vtx[j]->z = poly_list->poly[i]->grafted_vtx->z + znorm*(ts_double)(j+1); |
| | | } |
| | | } |
| | | normlength=sqrt(xnorm*xnorm+ynorm*ynorm+znorm*znorm); |
| | | xnorm=xnorm/normlength; |
| | | ynorm=ynorm/normlength; |
| | | znorm=znorm/normlength; |
| | | |
| | | for (j=0;j<poly_list->poly[i]->vlist->n;j++){ |
| | | poly_list->poly[i]->vlist->vtx[j]->x = poly_list->poly[i]->grafted_vtx->x + xnorm*(ts_double)(j+1); |
| | | poly_list->poly[i]->vlist->vtx[j]->y = poly_list->poly[i]->grafted_vtx->y + ynorm*(ts_double)(j+1); |
| | | poly_list->poly[i]->vlist->vtx[j]->z = poly_list->poly[i]->grafted_vtx->z + znorm*(ts_double)(j+1); |
| | | } |
| | | 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; |
| | | 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; |
| | | } |
| | | } |
| | | } |
| | | |