| | |
| | | ts_uint Ntries=20; |
| | | ts_vertex *backupvtx; |
| | | ts_double Rv, dh, dvol, voldiff, oenergy,delta_energy; |
| | | |
| | | backupvtx=(ts_vertex *)calloc(sizeof(ts_vertex),10); |
| | | ts_double l0 = (1.0 + sqrt(vesicle->dmax))/2.0; //make this a global constant if necessary |
| | | for(i=0;i<Ntries;i++){ |
| | |
| | | |
| | | for(j=0;j<vtx_moved->neigh_no;j++){ |
| | | if(vtx_moved->neigh[j]==vtx_avoid) continue; |
| | | /* for(k=0;k<vtx_moved->neigh[j]->neigh_no;k++){ |
| | | if(vtx_moved->neigh[j]->neigh[k]==vtx_avoid) continue; |
| | | } |
| | | */ |
| | | |
| | | } |
| | | |
| | | memcpy((void *)&backupvtx[0],(void *)vtx_moved,sizeof(ts_vertex)); |
| | |
| | | // fprintf(stderr,"Sprejet.\n"); |
| | | |
| | | // All checks OK! |
| | | fprintf(stderr, "Step 1 success\n"); |
| | | |
| | | // doing second and final move. |
| | | for(j=0;j<vtx_moved->neigh_no;j++){ |
| | | memcpy((void *)&backupvtx[j+1],(void *)vtx_moved->neigh[j],sizeof(ts_vertex)); |
| | | } |
| | |
| | | *retEnergy=delta_energy; |
| | | *vtx_backup=backupvtx; |
| | | *vtx_moved_retval=vtx_moved; |
| | | fprintf(stderr, "Preliminary success\n"); |
| | | return TS_SUCCESS; |
| | | } |
| | | fprintf(stderr, "Step 2 success\n"); |
| | | //do it again ;) |
| | | dh=Vol*dh/dvol; |
| | | vtx_moved=memcpy((void *)vtx_moved,(void *)&backupvtx[0],sizeof(ts_vertex)); |
| | |
| | | continue; |
| | | } |
| | | |
| | | dvol=0.0; |
| | | for(j=0;j<vtx_moved->tristar_no;j++){ |
| | | dvol-=vtx_moved->tristar[j]->volume; |
| | | triangle_normal_vector(vtx_moved->tristar[j]); |
| | | dvol+=vtx_moved->tristar[j]->volume; |
| | | } |
| | | |
| | | fprintf(stderr, "Step 3a success voldiff=%e\n",voldiff); |
| | | voldiff=dvol-Vol; |
| | | fprintf(stderr, "Step 3b success voldiff=%e\n",voldiff); |
| | | if(fabs(voldiff)/vesicle->volume < vesicle->tape->constvolprecision){ |
| | | //calculate energy, return change in energy... |
| | | oenergy=vtx_moved->energy; |
| | |
| | | *retEnergy=delta_energy; |
| | | *vtx_backup=backupvtx; |
| | | *vtx_moved_retval=vtx_moved; |
| | | fprintf(stderr, "DVOL=%e\n",voldiff); |
| | | return TS_SUCCESS; |
| | | } |
| | | |
| | | |
| | | } |
| | | free(backupvtx); |
| | | fprintf(stderr, "fail\n"); |
| | | return TS_FAIL; |
| | | } |
| | | |