#include"general.h"
|
#include"poly.h"
|
#include<stdlib.h>
|
#include"vertex.h"
|
#include"bond.h"
|
#include<math.h>
|
#include"energy.h"
|
|
ts_bool poly_assign_spring_const(ts_vesicle *vesicle){
|
ts_uint i;
|
|
for(i=0;i<vesicle->poly_list->n;i++){
|
vesicle->poly_list->poly[i]->k = vesicle->spring_constant;
|
}
|
|
return TS_SUCCESS;
|
}
|
|
ts_poly *init_poly(ts_uint n, ts_vertex *grafted_vtx){
|
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;
|
|
ts_uint i;
|
for(i=0;i<n-1;i++){
|
vtx_add_cneighbour(poly->blist, poly->vlist->vtx[i], poly->vlist->vtx[i+1]);
|
vtx_add_neighbour(poly->vlist->vtx[i+1], poly->vlist->vtx[i]);
|
}
|
|
for(i=0;i<poly->blist->n;i++){
|
poly->blist->bond[i]->bond_length=sqrt(vtx_distance_sq(poly->blist->bond[i]->vtx1,poly->blist->bond[i]->vtx2));
|
bond_energy(poly->blist->bond[i],poly);
|
}
|
|
return poly;
|
}
|
|
|
ts_poly_list *init_poly_list(ts_uint n_poly, ts_uint n_mono, ts_vertex_list *vlist){
|
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;
|
|
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++;
|
}
|
}
|
|
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++){
|
|
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;
|
|
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);
|
}
|
}
|
|
//index correction for polymeres. Important, since each vtx has to have unique id
|
idx=vlist->n;
|
for(i=0;i<n_poly;i++){
|
for(j=0;j<n_mono;j++,idx++){
|
|
poly_list->poly[i]->vlist->vtx[j]->idx=idx;
|
|
}
|
}
|
|
|
return poly_list;
|
}
|
|
|
ts_bool poly_free(ts_poly *poly){
|
|
if (poly->grafted_vtx!=NULL){
|
poly->grafted_vtx->grafted_poly=NULL;
|
}
|
vtx_list_free(poly->vlist);
|
bond_list_free(poly->blist);
|
free(poly);
|
|
return TS_SUCCESS;
|
}
|
|
ts_bool poly_list_free(ts_poly_list *poly_list){
|
ts_uint i;
|
|
for(i=0;i<poly_list->n;i++){
|
poly_free(poly_list->poly[i]);
|
}
|
free(poly_list->poly);
|
free(poly_list);
|
|
return TS_SUCCESS;
|
}
|