| commit | author | age | ||
| 8db569 | 1 | #include"general.h" |
| M | 2 | #include"poly.h" |
| 3 | #include<stdlib.h> | |
| 4 | #include"vertex.h" | |
| 5 | #include"bond.h" | |
| 6 | #include<math.h> | |
| fedf2b | 7 | #include"energy.h" |
| 8db569 | 8 | |
| 48bb92 | 9 | ts_bool poly_assign_spring_const(ts_vesicle *vesicle){ |
| M | 10 | ts_uint i; |
| 11 | ||
| 12 | for(i=0;i<vesicle->poly_list->n;i++){ | |
| 13 | vesicle->poly_list->poly[i]->k = vesicle->spring_constant; | |
| 14 | } | |
| 15 | ||
| 16 | return TS_SUCCESS; | |
| 17 | } | |
| 8db569 | 18 | |
| 1d5dff | 19 | ts_poly *init_poly(ts_uint n, ts_vertex *grafted_vtx){ |
| M | 20 | ts_poly *poly=(ts_poly *)calloc(1,sizeof(ts_poly)); |
| 21 | poly->vlist = init_vertex_list(n); | |
| 22 | poly->blist = init_bond_list(); | |
| 23 | poly->grafted_vtx = grafted_vtx; | |
| 24 | grafted_vtx->grafted_poly = poly; | |
| 25 | ||
| 26 | ts_uint i; | |
| 8db569 | 27 | for(i=0;i<n-1;i++){ |
| 1d5dff | 28 | vtx_add_cneighbour(poly->blist, poly->vlist->vtx[i], poly->vlist->vtx[i+1]); |
| 8db569 | 29 | vtx_add_neighbour(poly->vlist->vtx[i+1], poly->vlist->vtx[i]); |
| 1d5dff | 30 | } |
| M | 31 | |
| 48bb92 | 32 | for(i=0;i<poly->blist->n;i++){ |
| M | 33 | poly->blist->bond[i]->bond_length=sqrt(vtx_distance_sq(poly->blist->bond[i]->vtx1,poly->blist->bond[i]->vtx2)); |
| fedf2b | 34 | bond_energy(poly->blist->bond[i],poly); |
| 48bb92 | 35 | } |
| M | 36 | |
| 1d5dff | 37 | return poly; |
| M | 38 | } |
| 39 | ||
| 40 | ||
| 8db569 | 41 | ts_poly_list *init_poly_list(ts_uint n_poly, ts_uint n_mono, ts_vertex_list *vlist){ |
| 1d5dff | 42 | ts_poly_list *poly_list=(ts_poly_list *)calloc(1,sizeof(ts_poly_list)); |
| 8db569 | 43 | poly_list->poly = (ts_poly **)calloc(n_poly,sizeof(ts_poly *)); |
| 40aa5b | 44 | ts_uint i=0,j=0, idx; |
| 8db569 | 45 | ts_uint gvtxi; |
| M | 46 | ts_double xnorm,ynorm,znorm,normlength; |
| 1d5dff | 47 | |
| M | 48 | if (n_poly > vlist->n){fatal("Number of polymers larger then numbero f vertices on a vesicle.",310);} |
| 49 | ||
| 50 | while(i<n_poly){ | |
| 8db569 | 51 | gvtxi = rand() % vlist->n; |
| 1d5dff | 52 | if (vlist->vtx[gvtxi]->grafted_poly == NULL){ |
| 8db569 | 53 | poly_list->poly[i] = init_poly(n_mono, vlist->vtx[gvtxi]); |
| 1d5dff | 54 | i++; |
| M | 55 | } |
| 56 | } | |
| 57 | ||
| 58 | poly_list->n = n_poly; | |
| 59 | ||
| 8db569 | 60 | /* Make straight poylmers normal to membrane. Dist. between poly vertices put to 1*/ |
| M | 61 | for (i=0;i<poly_list->n;i++){ |
| 62 | ||
| 63 | xnorm=0.0; | |
| 64 | ynorm=0.0; | |
| 65 | znorm=0.0; | |
| 66 | for (j=0;j<poly_list->poly[i]->grafted_vtx->tristar_no;j++){ | |
| 40aa5b | 67 | xnorm-=poly_list->poly[i]->grafted_vtx->tristar[j]->xnorm; |
| SP | 68 | ynorm-=poly_list->poly[i]->grafted_vtx->tristar[j]->ynorm; |
| 69 | znorm-=poly_list->poly[i]->grafted_vtx->tristar[j]->znorm; | |
| 8db569 | 70 | } |
| M | 71 | normlength=sqrt(xnorm*xnorm+ynorm*ynorm+znorm*znorm); |
| 72 | xnorm=xnorm/normlength; | |
| 73 | ynorm=ynorm/normlength; | |
| 74 | znorm=znorm/normlength; | |
| 75 | ||
| 76 | for (j=0;j<poly_list->poly[i]->vlist->n;j++){ | |
| 77 | poly_list->poly[i]->vlist->vtx[j]->x = poly_list->poly[i]->grafted_vtx->x + xnorm*(ts_double)(j+1); | |
| 78 | poly_list->poly[i]->vlist->vtx[j]->y = poly_list->poly[i]->grafted_vtx->y + ynorm*(ts_double)(j+1); | |
| 79 | poly_list->poly[i]->vlist->vtx[j]->z = poly_list->poly[i]->grafted_vtx->z + znorm*(ts_double)(j+1); | |
| 80 | } | |
| 81 | } | |
| 82 | ||
| 40aa5b | 83 | //index correction for polymeres. Important, since each vtx has to have unique id |
| SP | 84 | idx=vlist->n; |
| 85 | for(i=0;i<n_poly;i++){ | |
| 86 | for(j=0;j<n_mono;j++,idx++){ | |
| 87 | ||
| 88 | poly_list->poly[i]->vlist->vtx[j]->idx=idx; | |
| 89 | ||
| 90 | } | |
| 91 | } | |
| 92 | ||
| 93 | ||
| 1d5dff | 94 | return poly_list; |
| M | 95 | } |
| 96 | ||
| 8db569 | 97 | |
| M | 98 | ts_bool poly_free(ts_poly *poly){ |
| 99 | ||
| 100 | if (poly->grafted_vtx!=NULL){ | |
| 101 | poly->grafted_vtx->grafted_poly=NULL; | |
| 102 | } | |
| 103 | vtx_list_free(poly->vlist); | |
| 104 | bond_list_free(poly->blist); | |
| 105 | free(poly); | |
| 106 | ||
| 107 | return TS_SUCCESS; | |
| 108 | } | |
| 109 | ||
| 110 | ts_bool poly_list_free(ts_poly_list *poly_list){ | |
| 111 | ts_uint i; | |
| 112 | ||
| 113 | for(i=0;i<poly_list->n;i++){ | |
| 114 | poly_free(poly_list->poly[i]); | |
| 115 | } | |
| 116 | free(poly_list->poly); | |
| 117 | free(poly_list); | |
| 118 | ||
| 119 | return TS_SUCCESS; | |
| 120 | } | |
