| | |
| | | ts_double delta_energy_cv; |
| | | ts_vertex *constvol_vtx_moved, *constvol_vtx_backup; |
| | | ts_bool retval; |
| | | ts_double temp_area=0.0; |
| | | |
| | | if(it->neigh_no< 3) return TS_FAIL; |
| | | if(k->neigh_no< 3) return TS_FAIL; |
| | |
| | | /* vesicle_volume(vesicle); |
| | | fprintf(stderr,"Volume in the beginning=%1.16e\n", vesicle->volume); |
| | | */ |
| | | |
| | | if(vesicle->tape->stretchswitch==1){ |
| | | temp_area=vesicle->area-lm->area-lp->area; |
| | | } |
| | | /* fix data structure for flipped bond */ |
| | | ts_flip_bond(k,it,km,kp, bond,lm, lp, lm2, lp1, vesicle->tape->w); |
| | | |
| | |
| | | delta_energy+=it->xk* it->energy; |
| | | delta_energy+=bond->energy; /* attraction with neighboring vertices, that have spontaneous curvature */ |
| | | //Neigbours of k, it, km, kp don't change its energy. |
| | | if(vesicle->tape->stretchswitch==1){ |
| | | /* oldenergy+=lm->energy+lp->energy; |
| | | stretchenergy(vesicle,lm); |
| | | stretchenergy(vesicle,lp); |
| | | delta_energy+=lm->energy+lp->energy; |
| | | */ |
| | | temp_area=temp_area+lm->area+lp->area; |
| | | delta_energy+=stretchenergy2(temp_area,vesicle->tlist->a0*vesicle->tlist->n)-stretchenergy2(vesicle->area,vesicle->tlist->a0*vesicle->tlist->n); |
| | | } |
| | | |
| | | delta_energy-=oldenergy; |
| | | if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch>0){ |
| | |
| | | // fprintf(stderr,"Restoration complete!!!\n"); |
| | | // vesicle_volume(vesicle); |
| | | // fprintf(stderr,"Volume after fail=%1.16e\n", vesicle->volume); |
| | | |
| | | /* if(vesicle->tape->stretchswitch==1){ |
| | | stretchenergy(vesicle,lm); |
| | | stretchenergy(vesicle,lp); |
| | | } |
| | | */ |
| | | return TS_FAIL; |
| | | } |
| | | } |
| | |
| | | if(vesicle->tape->constareaswitch==2){ |
| | | vesicle->area+=darea; |
| | | } |
| | | if(vesicle->tape->stretchswitch==1){ |
| | | vesicle->area=temp_area; |
| | | } |
| | | |
| | | // delete all backups |
| | | for(i=0;i<4;i++){ |
| | | free(bck_vtx[i]->neigh); |