Trisurf Monte Carlo simulator
Samo Penic
2010-12-04 a6b1b556b6c8c8da22c5f322b57ccc1528578e10
commit | author | age
d7639a 1 #include<stdlib.h>
SP 2 #include "general.h"
3 #include "cell.h"
4
5 ts_bool centermass(ts_vesicle *vesicle){
6     ts_uint i;
7     vesicle->cm[0]=0;
8     vesicle->cm[1]=0;
9     vesicle->cm[2]=0;
10     for(i=0;i<vesicle->vlist.n;i++){
11         vesicle->cm[0]+=vesicle->vlist.vertex[i].x;
12         vesicle->cm[1]+=vesicle->vlist.vertex[i].y;
13         vesicle->cm[2]+=vesicle->vlist.vertex[i].z; 
14     } 
15     vesicle->cm[0]/=(float)vesicle->vlist.n;
16     vesicle->cm[1]/=(float)vesicle->vlist.n;
17     vesicle->cm[2]/=(float)vesicle->vlist.n;
18     return TS_SUCCESS;
19 }
20
21 ts_bool cell_ocupation(ts_vesicle *vesicle){
22     ts_uint i,j,cellidx;
23     ts_double shift;
24     ts_double dcell;
25     shift=(ts_double) vesicle->clist.ncmax[0]/2;
26     dcell=1.0/(1.0 + vesicle->stepsize);
27     ts_uint ncx, ncy,ncz;
28
29     cell_list_cell_ocupation_clear(&vesicle->clist);
30     for(i=0;i<vesicle->vlist.n;i++){
31   
32     cellidx=vertex_self_avoidance(vesicle, &vesicle->vlist.vertex[i]);
33     vesicle->vlist.vertex[i].cell=&(vesicle->clist.cell[cellidx]);
34
35     cell_add_vertex(&vesicle->clist.cell[cellidx],&vesicle->vlist.vertex[i]);
36
37   //  if(ncx > vesicle->clist.ncmax[0]) vesicle->clist.ncmax[0]=ncx;
38   //  if(ncy > vesicle->clist.ncmax[1]) vesicle->clist.ncmax[1]=ncy;
39   //  if(ncz > vesicle->clist.ncmax[2]) vesicle->clist.ncmax[2]=ncz;
40     }
41
42
43 /* This was already done in previous for loop.... Have I gained some time? 
44
45
46     for(i=0;i<vesicle->clist.ncmax[0]*vesicle->clist.ncmax[1]*vesicle->clist.ncmax[2];i++){
47         vesicle->clist.cell[i].nvertex=0;
48         for(j=0;j<vesicle->vlist.n;j++){
49             //add_vertextocell;
50             //add_vertextomonomer;
51         }
52     }
53
54 */
55     return TS_SUCCESS;
56 }